Structure, Kinetics, and Thermodynamics of the Aqueous Uranyl(VI) Cation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kerisit, Sebastien N.; Liu, Chongxuan

2013-08-20

Molecular simulation techniques are employed to gain insights into the structural, kinetic, and thermodynamic properties of the uranyl(VI) cation (UO22+) in aqueous solution. The simulations make use of an atomistic potential model (force field) derived in this work and based on the model of Guilbaud and Wipff (Guilbaud, P.; Wipff, G. J. Mol. Struct. (THEOCHEM) 1996, 366, 55-63). Reactive flux and thermodynamic integration calculations show that the derived potential model yields predictions for the water exchange rate and free energy of hydration, respectively, that are in agreement with experimental data. The water binding energies, hydration shell structure, and self-diffusion coefficientmore » are also calculated and discussed. Finally, a combination of metadynamics and transition path sampling simulations is employed to probe the mechanisms of water exchange reactions in the first hydration shell of the uranyl ion. These atomistic simulations indicate, based on two-dimensional free energy surfaces, that water exchanges follow an associative interchange mechanism. The nature and structure of the water exchange transition states are also determined. The improved potential model is expected to lead to more accurate predictions of uranyl adsorption energies at mineral surfaces using potential-based molecular dynamics simulations.« less

Variability in soil-water retention properties and implications for physics-based simulation of landslide early warning criteria

USGS Publications Warehouse

Thomas, Matthew A.; Mirus, Benjamin B.; Collins, Brian D.; Lu, Ning; Godt, Jonathan W.

2018-01-01

Rainfall-induced shallow landsliding is a persistent hazard to human life and property. Despite the observed connection between infiltration through the unsaturated zone and shallow landslide initiation, there is considerable uncertainty in how estimates of unsaturated soil-water retention properties affect slope stability assessment. This source of uncertainty is critical to evaluating the utility of physics-based hydrologic modeling as a tool for landslide early warning. We employ a numerical model of variably saturated groundwater flow parameterized with an ensemble of texture-, laboratory-, and field-based estimates of soil-water retention properties for an extensively monitored landslide-prone site in the San Francisco Bay Area, CA, USA. Simulations of soil-water content, pore-water pressure, and the resultant factor of safety show considerable variability across and within these different parameter estimation techniques. In particular, we demonstrate that with the same permeability structure imposed across all simulations, the variability in soil-water retention properties strongly influences predictions of positive pore-water pressure coincident with widespread shallow landsliding. We also find that the ensemble of soil-water retention properties imposes an order-of-magnitude and nearly two-fold variability in seasonal and event-scale landslide susceptibility, respectively. Despite the reduced factor of safety uncertainty during wet conditions, parameters that control the dry end of the soil-water retention function markedly impact the ability of a hydrologic model to capture soil-water content dynamics observed in the field. These results suggest that variability in soil-water retention properties should be considered for objective physics-based simulation of landslide early warning criteria.

Simulating soil moisture change in a semiarid rangeland watershed with a process-based water-balance model

Treesearch

Howard Evan Canfield; Vicente L. Lopes

2000-01-01

A process-based, simulation model for evaporation, soil water and streamflow (BROOK903) was used to estimate soil moisture change on a semiarid rangeland watershed in southeastern Arizona. A sensitivity analysis was performed to select parameters affecting ET and soil moisture for calibration. Automatic parameter calibration was performed using a procedure based on a...

Hydration of Li+ -ion in atom-bond electronegativity equalization method-7P water: a molecular dynamics simulation study.

PubMed

Li, Xin; Yang, Zhong-Zhi

2005-02-22

We have carried out molecular dynamics simulations of a Li(+) ion in water over a wide range of temperature (from 248 to 368 K). The simulations make use of the atom-bond electronegativity equalization method-7P water model, a seven-site flexible model with fluctuating charges, which has accurately reproduced many bulk water properties. The recently constructed Li(+)-water interaction potential through fitting to the experimental and ab initio gas-phase binding energies and to the measured structures for Li(+)-water clusters is adopted in the simulations. ABEEM was proposed and developed in terms of partitioning the electron density into atom and bond regions and using the electronegativity equalization method (EEM) and the density functional theory (DFT). Based on a combination of the atom-bond electronegativity equalization method and molecular mechanics (ABEEM/MM), a new set of water-water and Li(+)-water potentials, successfully applied to ionic clusters Li(+)(H(2)O)(n)(n=1-6,8), are further investigated in an aqueous solution of Li(+) in the present paper. Two points must be emphasized in the simulations: first, the model allows for the charges on the interacting sites fluctuating as a function of time; second, the ABEEM-7P model has applied the parameter k(lp,H)(R(lp,H)) to explicitly describe the short-range interaction of hydrogen bond in the hydrogen bond interaction region, and has a new description for the hydrogen bond. The static, dynamic, and thermodynamic properties have been studied in detail. In addition, at different temperatures, the structural properties such as radial distribution functions, and the dynamical properties such as diffusion coefficients and residence times of the water molecules in the first hydration shell of Li(+), are also simulated well. These simulation results show that the ABEEM/MM-based water-water and Li(+)-water potentials appear to be robust giving the overall characteristic hydration properties in excellent agreement with experiments and other molecular dynamics simulations on similar system.

The Carbon-Water Interface: Modeling Challenges and Opportunities for the Water-Energy Nexus.

PubMed

Striolo, Alberto; Michaelides, Angelos; Joly, Laurent

2016-06-07

Providing clean water and sufficient affordable energy to all without compromising the environment is a key priority in the scientific community. Many recent studies have focused on carbon-based devices in the hope of addressing this grand challenge, justifying and motivating detailed studies of water in contact with carbonaceous materials. Such studies are becoming increasingly important because of the miniaturization of newly proposed devices, with ubiquitous nanopores, large surface-to-volume ratio, and many, perhaps most of the water molecules in contact with a carbon-based surface. In this brief review, we discuss some recent advances obtained via simulations and experiments in the development of carbon-based materials for applications in water desalination. We suggest possible ways forward, with particular emphasis on the synergistic combination of experiments and simulations, with simulations now sometimes offering sufficient accuracy to provide fundamental insights. We also point the interested reader to recent works that complement our short summary on the state of the art of this important and fascinating field.

A dynamic simulation based water resources education tool.

PubMed

Williams, Alison; Lansey, Kevin; Washburne, James

2009-01-01

Educational tools to assist the public in recognizing impacts of water policy in a realistic context are not generally available. This project developed systems with modeling-based educational decision support simulation tools to satisfy this need. The goal of this model is to teach undergraduate students and the general public about the implications of common water management alternatives so that they can better understand or become involved in water policy and make more knowledgeable personal or community decisions. The model is based on Powersim, a dynamic simulation software package capable of producing web-accessible, intuitive, graphic, user-friendly interfaces. Modules are included to represent residential, agricultural, industrial, and turf uses, as well as non-market values, water quality, reservoir, flow, and climate conditions. Supplementary materials emphasize important concepts and lead learners through the model, culminating in an open-ended water management project. The model is used in a University of Arizona undergraduate class and within the Arizona Master Watershed Stewards Program. Evaluation results demonstrated improved understanding of concepts and system interactions, fulfilling the project's objectives.

Holistic irrigation water management approach based on stochastic soil water dynamics

NASA Astrophysics Data System (ADS)

Alizadeh, H.; Mousavi, S. J.

2012-04-01

Appreciating the essential gap between fundamental unsaturated zone transport processes and soil and water management due to low effectiveness of some of monitoring and modeling approaches, this study presents a mathematical programming model for irrigation management optimization based on stochastic soil water dynamics. The model is a nonlinear non-convex program with an economic objective function to address water productivity and profitability aspects in irrigation management through optimizing irrigation policy. Utilizing an optimization-simulation method, the model includes an eco-hydrological integrated simulation model consisting of an explicit stochastic module of soil moisture dynamics in the crop-root zone with shallow water table effects, a conceptual root-zone salt balance module, and the FAO crop yield module. Interdependent hydrology of soil unsaturated and saturated zones is treated in a semi-analytical approach in two steps. At first step analytical expressions are derived for the expected values of crop yield, total water requirement and soil water balance components assuming fixed level for shallow water table, while numerical Newton-Raphson procedure is employed at the second step to modify value of shallow water table level. Particle Swarm Optimization (PSO) algorithm, combined with the eco-hydrological simulation model, has been used to solve the non-convex program. Benefiting from semi-analytical framework of the simulation model, the optimization-simulation method with significantly better computational performance compared to a numerical Mote-Carlo simulation-based technique has led to an effective irrigation management tool that can contribute to bridging the gap between vadose zone theory and water management practice. In addition to precisely assessing the most influential processes at a growing season time scale, one can use the developed model in large scale systems such as irrigation districts and agricultural catchments. Accordingly, the model has been applied in Dasht-e-Abbas and Ein-khosh Fakkeh Irrigation Districts (DAID and EFID) of the Karkheh Basin in southwest of Iran. The area suffers from the water scarcity problem and therefore the trade-off between the level of deficit and economical profit should be assessed. Based on the results, while the maximum net benefit has been obtained for the stress-avoidance (SA) irrigation policy, the highest water profitability, defined by economical net benefit gained from unit irrigation water volume application, has been resulted when only about 60% of water used in the SA policy is applied.

A simulation-optimization model for effective water resources management in the coastal zone

NASA Astrophysics Data System (ADS)

Spanoudaki, Katerina; Kampanis, Nikolaos

2015-04-01

Coastal areas are the most densely-populated areas in the world. Consequently water demand is high, posing great pressure on fresh water resources. Climatic change and its direct impacts on meteorological variables (e.g. precipitation) and indirect impact on sea level rise, as well as anthropogenic pressures (e.g. groundwater abstraction), are strong drivers causing groundwater salinisation and subsequently affecting coastal wetlands salinity with adverse effects on the corresponding ecosystems. Coastal zones are a difficult hydrologic environment to represent with a mathematical model due to the large number of contributing hydrologic processes and variable-density flow conditions. Simulation of sea level rise and tidal effects on aquifer salinisation and accurate prediction of interactions between coastal waters, groundwater and neighbouring wetlands requires the use of integrated surface water-groundwater mathematical models. In the past few decades several computer codes have been developed to simulate coupled surface and groundwater flow. However, most integrated surface water-groundwater models are based on the assumption of constant fluid density and therefore their applicability to coastal regions is questionable. Thus, most of the existing codes are not well-suited to represent surface water-groundwater interactions in coastal areas. To this end, the 3D integrated surface water-groundwater model IRENE (Spanoudaki et al., 2009; Spanoudaki, 2010) has been modified in order to simulate surface water-groundwater flow and salinity interactions in the coastal zone. IRENE, in its original form, couples the 3D shallow water equations to the equations describing 3D saturated groundwater flow of constant density. A semi-implicit finite difference scheme is used to solve the surface water flow equations, while a fully implicit finite difference scheme is used for the groundwater equations. Pollution interactions are simulated by coupling the advection-diffusion equation describing the fate and transport of contaminants introduced in a 3D turbulent flow field to the partial differential equation describing the fate and transport of contaminants in 3D transient groundwater flow systems. The model has been further developed to include the effects of density variations on surface water and groundwater flow, while the already built-in solute transport capabilities are used to simulate salinity interactions. The refined model is based on the finite volume method using a cell-centred structured grid, providing thus flexibility and accuracy in simulating irregular boundary geometries. For addressing water resources management problems, simulation models are usually externally coupled with optimisation-based management models. However this usually requires a very large number of iterations between the optimisation and simulation models in order to obtain the optimal management solution. As an alternative approach, for improved computational efficiency, an Artificial Neural Network (ANN) is trained as an approximate simulator of IRENE. The trained ANN is then linked to a Genetic Algorithm (GA) based optimisation model for managing salinisation problems in the coastal zone. The linked simulation-optimisation model is applied to a hypothetical study area for performance evaluation. Acknowledgement The work presented in this paper has been funded by the Greek State Scholarships Foundation (IKY), Fellowships of Excellence for Postdoctoral Studies (Siemens Program), 'A simulation-optimization model for assessing the best practices for the protection of surface water and groundwater in the coastal zone', (2013 - 2015). References Spanoudaki, K., Stamou, A.I. and Nanou-Giannarou, A. (2009). Development and verification of a 3-D integrated surface water-groundwater model. Journal of Hydrology, 375 (3-4), 410-427. Spanoudaki, K. (2010). Integrated numerical modelling of surface water groundwater systems (in Greek). Ph.D. Thesis, National Technical University of Athens, Greece.

Two-bead polarizable water models combined with a two-bead multipole force field (TMFF) for coarse-grained simulation of proteins.

PubMed

Li, Min; Zhang, John Z H

2017-03-08

The development of polarizable water models at coarse-grained (CG) levels is of much importance to CG molecular dynamics simulations of large biomolecular systems. In this work, we combined the newly developed two-bead multipole force field (TMFF) for proteins with the two-bead polarizable water models to carry out CG molecular dynamics simulations for benchmark proteins. In our simulations, two different two-bead polarizable water models are employed, the RTPW model representing five water molecules by Riniker et al. and the LTPW model representing four water molecules. The LTPW model is developed in this study based on the Martini three-bead polarizable water model. Our simulation results showed that the combination of TMFF with the LTPW model significantly stabilizes the protein's native structure in CG simulations, while the use of the RTPW model gives better agreement with all-atom simulations in predicting the residue-level fluctuation dynamics. Overall, the TMFF coupled with the two-bead polarizable water models enables one to perform an efficient and reliable CG dynamics study of the structural and functional properties of large biomolecules.

Simulation of ground-water flow and rainfall runoff with emphasis on the effects of land cover, Whittlesey Creek, Bayfield County, Wisconsin, 1999-2001

USGS Publications Warehouse

Lenz, Bernard N.; Saad, David A.; Fitzpatrick, Faith A.

2003-01-01

The effects of land cover on flooding and base-flow characteristics of Whittlesey Creek, Bayfield County, Wis., were examined in a study that involved ground-water-flow and rainfall-runoff modeling. Field data were collected during 1999-2001 for synoptic base flow, streambed head and temperature, precipitation, continuous streamflow and stream stage, and other physical characteristics. Well logs provided data for potentiometric-surface altitudes and stratigraphic descriptions. Geologic, soil, hydrography, altitude, and historical land-cover data were compiled into a geographic information system and used in two ground-water-flow models (GFLOW and MODFLOW) and a rainfall-runoff model (SWAT). A deep ground-water system intersects Whittlesey Creek near the confluence with the North Fork, producing a steady base flow of 17?18 cubic feet per second. Upstream from the confluence, the creek has little or no base flow; flow is from surface runoff and a small amount of perched ground water. Most of the base flow to Whittlesey Creek originates as recharge through the permeable sands in the center of the Bayfield Peninsula to the northwest of the surface-water-contributing basin. Based on simulations, model-wide changes in recharge caused a proportional change in simulated base flow for Whittlesey Creek. Changing the simulated amount of recharge by 25 to 50 percent in only the ground-water-contributing area results in relatively small changes in base flow to Whittlesey Creek (about 2?11 percent). Simulated changes in land cover within the Whittlesey Creek surface-water-contributing basin would have minimal effects on base flow and average annual runoff, but flood peaks (based on daily mean flows on peak-flow days) could be affected. Based on the simulations, changing the basin land cover to a reforested condition results in a reduction in flood peaks of about 12 to 14 percent for up to a 100-yr flood. Changing the basin land cover to 25 percent urban land or returning basin land cover to the intensive row-crop agriculture of the 1920s results in flood peaks increasing by as much as 18 percent. The SWAT model is limited to a daily time step, which is adequate for describing the surface-water/ground-water interaction and percentage changes. It may not, however, be adequate in describing peak flow because the instantaneous peak flow in Whittlesey Creek during a flood can be more than twice the magnitude of the daily mean flow during that same flood. In addition, the storage and infiltration capacities of wetlands in the basin are not fully understood and need further study.

Simulation of Intra- or transboundary surface-water-rights hierarchies using the farm process for MODFLOW-2000

USGS Publications Warehouse

Schmid, W.; Hanson, R.T.

2007-01-01

Water-rights driven surface-water allocations for irrigated agriculture can be simulated using the farm process for MODFLOW-2000. This paper describes and develops a model, which simulates routed surface-water deliveries to farms limited by streamflow, equal-appropriation allotments, or a ranked prior-appropriation system. Simulated diversions account for deliveries to all farms along a canal according to their water-rights ranking and for conveyance losses and gains. Simulated minimum streamflow requirements on diversions help guarantee supplies to senior farms located on downstream diverting canals. Prior appropriation can be applied to individual farms or to groups of farms modeled as "virtual farms" representing irrigation districts, irrigated regions in transboundary settings, or natural vegetation habitats. The integrated approach of jointly simulating canal diversions, surface-water deliveries subject to water-rights constraints, and groundwater allocations is verified on numerical experiments based on a realistic, but hypothetical, system of ranked virtual farms. Results are discussed in light of transboundary water appropriation and demonstrate the approach's suitability for simulating effects of water-rights hierarchies represented by international treaties, interstate stream compacts, intrastate water rights, or ecological requirements. ?? 2007 ASCE.

How should we build a generic open-source water management simulator?

NASA Astrophysics Data System (ADS)

Khadem, M.; Meier, P.; Rheinheimer, D. E.; Padula, S.; Matrosov, E.; Selby, P. D.; Knox, S.; Harou, J. J.

2014-12-01

Increasing water needs for agriculture, industry and cities mean effective and flexible water resource system management tools will remain in high demand. Currently many regions or countries use simulators that have been adapted over time to their unique system properties and water management rules and realities. Most regions operate with a preferred short-list of water management and planning decision support systems. Is there scope for a simulator, shared within the water management community, that could be adapted to different contexts, integrate community contributions, and connect to generic data and model management software? What role could open-source play in such a project? How could a genericuser-interface and data/model management software sustainably be attached to this model or suite of models? Finally, how could such a system effectively leverage existing model formulations, modeling technologies and software? These questions are addressed by the initial work presented here. We introduce a generic water resource simulation formulation that enables and integrates both rule-based and optimization driven technologies. We suggest how it could be linked to other sub-models allowing for detailed agent-based simulation of water management behaviours. An early formulation is applied as an example to the Thames water resource system in the UK. The model uses centralised optimisation to calculate allocations but allows for rule-based operations as well in an effort to represent observed behaviours and rules with fidelity. The model is linked through import/export commands to a generic network model platform named Hydra. Benefits and limitations of the approach are discussed and planned work and potential use cases are outlined.

A software-based sensor for combined sewer overflows.

PubMed

Leonhardt, G; Fach, S; Engelhard, C; Kinzel, H; Rauch, W

2012-01-01

A new methodology for online estimation of excess flow from combined sewer overflow (CSO) structures based on simulation models is presented. If sufficient flow and water level data from the sewer system is available, no rainfall data are needed to run the model. An inverse rainfall-runoff model was developed to simulate net rainfall based on flow and water level data. Excess flow at all CSO structures in a catchment can then be simulated with a rainfall-runoff model. The method is applied to a case study and results show that the inverse rainfall-runoff model can be used instead of missing rain gauges. Online operation is ensured by software providing an interface to the SCADA-system of the operator and controlling the model. A water quality model could be included to simulate also pollutant concentrations in the excess flow.

Solution of AntiSeepage for Mengxi River Based on Numerical Simulation of Unsaturated Seepage

PubMed Central

Ji, Youjun; Zhang, Linzhi; Yue, Jiannan

2014-01-01

Lessening the leakage of surface water can reduce the waste of water resources and ground water pollution. To solve the problem that Mengxi River could not store water enduringly, geology investigation, theoretical analysis, experiment research, and numerical simulation analysis were carried out. Firstly, the seepage mathematical model was established based on unsaturated seepage theory; secondly, the experimental equipment for testing hydraulic conductivity of unsaturated soil was developed to obtain the curve of two-phase flow. The numerical simulation of leakage in natural conditions proves the previous inference and leakage mechanism of river. At last, the seepage control capacities of different impervious materials were compared by numerical simulations. According to the engineering actuality, the impervious material was selected. The impervious measure in this paper has been proved to be effectible by hydrogeological research today. PMID:24707199

Simulation of ground-water flow and evaluation of water-management alternatives in the upper Charles River basin, eastern Massachusetts

USGS Publications Warehouse

DeSimone, Leslie A.; Walter, Donald A.; Eggleston, John R.; Nimiroski, Mark T.

2002-01-01

Ground water is the primary source of drinking water for towns in the upper Charles River Basin, an area of 105 square miles in eastern Massachusetts that is undergoing rapid growth. The stratified-glacial aquifers in the basin are high yield, but also are thin, discontinuous, and in close hydraulic connection with streams, ponds, and wetlands. Water withdrawals averaged 10.1 million gallons per day in 1989?98 and are likely to increase in response to rapid growth. These withdrawals deplete streamflow and lower pond levels. A study was conducted to develop tools for evaluating water-management alternatives at the regional scale in the basin. Geologic and hydrologic data were compiled and collected to characterize the ground- and surface-water systems. Numerical flow modeling techniques were applied to evaluate the effects of increased withdrawals and altered recharge on ground-water levels, pond levels, and stream base flow. Simulation-optimization methods also were applied to test their efficacy for management of multiple water-supply and water-resource needs. Steady-state and transient ground-water-flow models were developed using the numerical modeling code MODFLOW-2000. The models were calibrated to 1989?98 average annual conditions of water withdrawals, water levels, and stream base flow. Model recharge rates were varied spatially, by land use, surficial geology, and septic-tank return flow. Recharge was changed during model calibration by means of parameter-estimation techniques to better match the estimated average annual base flow; area-weighted rates averaged 22.5 inches per year for the basin. Water withdrawals accounted for about 7 percent of total simulated flows through the stream-aquifer system and were about equal in magnitude to model-calculated rates of ground-water evapotranspiration from wetlands and ponds in aquifer areas. Water withdrawals as percentages of total flow varied spatially and temporally within an average year; maximum values were 12 to 13 percent of total annual flow in some subbasins and of total monthly flow throughout the basin in summer and early fall. Water-management alternatives were evaluated by simulating hypothetical scenarios of increased withdrawals and altered recharge for average 1989?98 conditions with the flow models. Increased withdrawals to maximum State-permitted levels would result in withdrawals of about 15 million gallons per day, or about 50 percent more than current withdrawals. Model-calculated effects of these increased withdrawals included reductions in stream base flow that were greatest (as a percentage of total flow) in late summer and early fall. These reductions ranged from less than 5 percent to more than 60 percent of model-calculated 1989?98 base flow along reaches of the Charles River and major tributaries during low-flow periods. Reductions in base flow generally were comparable to upstream increases in withdrawals, but were slightly less than upstream withdrawals in areas where septic-system return flow was simulated. Increased withdrawals also increased the proportion of wastewater in the Charles River downstream of treatment facilities. The wastewater component increased downstream from a treatment facility in Milford from 80 percent of September base flow under 1989?98 conditions to 90 percent of base flow, and from 18 to 27 percent of September base flow downstream of a treatment facility in Medway. In another set of hypothetical scenarios, additional recharge equal to the transfer of water out of a typical subbasin by sewers was found to increase model-calculated base flows by about 12 percent of model-calculated base flows. Addition of recharge equal to that available from artificial recharge of residential rooftop runoff had smaller effects, augmenting simulated September base flow by about 3 percent. Simulation-optimization methods were applied to an area near Populatic Pond and the confluence of the Mill and Charles Rivers in Franklin,

Assessing wheat yield, Biomass, and water productivity responses to growth stage based irrigation water allocation

USDA-ARS?s Scientific Manuscript database

Increasing irrigated wheat yields is important to the overall profitability of limited-irrigation cropping systems in western Kansas. A simulation study was conducted to (1) validate APSIM's (Agricultural Production Systems sIMulator) ability to simulate wheat growth and yield in Kansas, and (2) app...

Agent-based Modeling to Simulate the Diffusion of Water-Efficient Innovations and the Emergence of Urban Water Sustainability

NASA Astrophysics Data System (ADS)

Kanta, L.; Giacomoni, M.; Shafiee, M. E.; Berglund, E.

2014-12-01

The sustainability of water resources is threatened by urbanization, as increasing demands deplete water availability, and changes to the landscape alter runoff and the flow regime of receiving water bodies. Utility managers typically manage urban water resources through the use of centralized solutions, such as large reservoirs, which may be limited in their ability balance the needs of urbanization and ecological systems. Decentralized technologies, on the other hand, may improve the health of the water resources system and deliver urban water services. For example, low impact development technologies, such as rainwater harvesting, and water-efficient technologies, such as low-flow faucets and toilets, may be adopted by households to retain rainwater and reduce demands, offsetting the need for new centralized infrastructure. Decentralized technologies may create new complexities in infrastructure and water management, as decentralization depends on community behavior and participation beyond traditional water resources planning. Messages about water shortages and water quality from peers and the water utility managers can influence the adoption of new technologies. As a result, feedbacks between consumers and water resources emerge, creating a complex system. This research develops a framework to simulate the diffusion of water-efficient innovations and the sustainability of urban water resources, by coupling models of households in a community, hydrologic models of a water resources system, and a cellular automata model of land use change. Agent-based models are developed to simulate the land use and water demand decisions of individual households, and behavioral rules are encoded to simulate communication with other agents and adoption of decentralized technologies, using a model of the diffusion of innovation. The framework is applied for an illustrative case study to simulate water resources sustainability over a long-term planning horizon.

Modeling Methods

USGS Publications Warehouse

Healy, Richard W.; Scanlon, Bridget R.

2010-01-01

Simulation models are widely used in all types of hydrologic studies, and many of these models can be used to estimate recharge. Models can provide important insight into the functioning of hydrologic systems by identifying factors that influence recharge. The predictive capability of models can be used to evaluate how changes in climate, water use, land use, and other factors may affect recharge rates. Most hydrological simulation models, including watershed models and groundwater-flow models, are based on some form of water-budget equation, so the material in this chapter is closely linked to that in Chapter 2. Empirical models that are not based on a water-budget equation have also been used for estimating recharge; these models generally take the form of simple estimation equations that define annual recharge as a function of precipitation and possibly other climatic data or watershed characteristics.Model complexity varies greatly. Some models are simple accounting models; others attempt to accurately represent the physics of water movement through each compartment of the hydrologic system. Some models provide estimates of recharge explicitly; for example, a model based on the Richards equation can simulate water movement from the soil surface through the unsaturated zone to the water table. Recharge estimates can be obtained indirectly from other models. For example, recharge is a parameter in groundwater-flow models that solve for hydraulic head (i.e. groundwater level). Recharge estimates can be obtained through a model calibration process in which recharge and other model parameter values are adjusted so that simulated water levels agree with measured water levels. The simulation that provides the closest agreement is called the best fit, and the recharge value used in that simulation is the model-generated estimate of recharge.

a Probability-Based Statistical Method to Extract Water Body of TM Images with Missing Information

NASA Astrophysics Data System (ADS)

Lian, Shizhong; Chen, Jiangping; Luo, Minghai

2016-06-01

Water information cannot be accurately extracted using TM images because true information is lost in some images because of blocking clouds and missing data stripes, thereby water information cannot be accurately extracted. Water is continuously distributed in natural conditions; thus, this paper proposed a new method of water body extraction based on probability statistics to improve the accuracy of water information extraction of TM images with missing information. Different disturbing information of clouds and missing data stripes are simulated. Water information is extracted using global histogram matching, local histogram matching, and the probability-based statistical method in the simulated images. Experiments show that smaller Areal Error and higher Boundary Recall can be obtained using this method compared with the conventional methods.

Water scarcity and economic damage in Europe: regionally relevant simulations from 2000 to 2050

NASA Astrophysics Data System (ADS)

Bernhard, Jeroen; de Roo, Ad; Bisselink, Bernard; Gelati, Emiliano; Karssenberg, Derek; de Jong, Steven

2017-04-01

Water availability is unequally distributed across Europe. Where certain regions experience a surplus of water, other areas have limited water availability which causes economic damage to the water using sectors such as households, industries or agriculture. Future changes in climatic and socio-economic conditions are expected to further increase the competition for available water that is already present in Europe. This means there is an increasing need for models that are able to simulate this multi-sectorial system of water availability and demand and incorporate the socio-economic component required for robust decisions and policy support. We present our modelling study which is focused at providing regionally relevant pan-European water scarcity and economic damage simulations. First we developed regionally relevant pan-European water demand simulations for the household and industry sector from 2000 up to 2050. For the household sector we developed a model to simulate water use based on water price, income and several other relevant variables at NUTS-3 level (over 1200 regions in Europe). Alternatively, we modelled industrial water use based on regionally downscaled water productivity values at the national level for ten sub-sections of the NACE (Nomenclature of Economic Activities) classification for economic activities. Subsequently we used scenario projections of our explanatory variables to make scenario simulations of water demand from 2000 up to 2050 at pan-European scale with unprecedented spatial and sub-sectorial detail. In order to analyze the European water use system we integrated these water demand scenarios into the hydrological rainfall-runoff model called LISFLOOD (Distributed Water Balance and Flood Simulation Model), which incorporates a vegetation module for the simulation of crop yield and irrigation water demand of the agriculture sector. We simulated river discharge and groundwater availability for abstractions of water using sectors across Europe from 2000 up to 2050 at 5km grid level for multiple climate and socio-economic scenarios. This allowed us to identify regions with water scarcity problems from the recent past up to 2050 and quantify the economic damage that can be attributed to the limited water availability. Results showed several regions where substantially more water is extracted from the system than what would be sustainable into the future. Furthermore, we analyzed how changing water prices or relocation of economic activities could reduce future water scarcity problems and decrease the related economical damage. We found that for some regions, relatively small measurers already could have a positive impact on water scarcity problems.

Estimating plant available water for general crop simulations in ALMANAC/APEX/EPIC/SWAT

USDA-ARS?s Scientific Manuscript database

Process-based simulation models ALMANAC/APEX/EPIC/SWAT contain generalized plant growth subroutines to predict biomass and crop yield. Environmental constraints typically restrict plant growth and yield. Water stress is often an important limiting factor; it is calculated as the sum of water use f...

Scenario Analysis of Soil and Water Conservation in Xiejia Watershed Based on Improved CSLE Model

NASA Astrophysics Data System (ADS)

Liu, Jieying; Yu, Ming; Wu, Yong; Huang, Yao; Nie, Yawen

2018-01-01

According to the existing research results and related data, use the scenario analysis method, to evaluate the effects of different soil and water conservation measures on soil erosion in a small watershed. Based on the analysis of soil erosion scenarios and model simulation budgets in the study area, it is found that all scenarios simulated soil erosion rates are lower than the present situation of soil erosion in 2013. Soil and water conservation measures are more effective in reducing soil erosion than soil and water conservation biological measures and soil and water conservation tillage measures.

Can hydro-economic river basin models simulate water shadow prices under asymmetric access?

PubMed

Kuhn, A; Britz, W

2012-01-01

Hydro-economic river basin models (HERBM) based on mathematical programming are conventionally formulated as explicit 'aggregate optimization' problems with a single, aggregate objective function. Often unintended, this format implicitly assumes that decisions on water allocation are made via central planning or functioning markets such as to maximize social welfare. In the absence of perfect water markets, however, individually optimal decisions by water users will differ from the social optimum. Classical aggregate HERBMs cannot simulate that situation and thus might be unable to describe existing institutions governing access to water and might produce biased results for alternative ones. We propose a new solution format for HERBMs, based on the format of the mixed complementarity problem (MCP), where modified shadow price relations express spatial externalities resulting from asymmetric access to water use. This new problem format, as opposed to commonly used linear (LP) or non-linear programming (NLP) approaches, enables the simultaneous simulation of numerous 'independent optimization' decisions by multiple water users while maintaining physical interdependences based on water use and flow in the river basin. We show that the alternative problem format allows the formulation HERBMs that yield more realistic results when comparing different water management institutions.

The properties of residual water molecules in ionic liquids: a comparison between direct and inverse Kirkwood-Buff approaches.

PubMed

Kobayashi, Takeshi; Reid, Joshua E S J; Shimizu, Seishi; Fyta, Maria; Smiatek, Jens

2017-07-26

We study the properties of residual water molecules at different mole fractions in dialkylimidazolium based ionic liquids (ILs), namely 1-ethyl-3-methylimidazolium tetrafluoroborate (EMIM/BF 4 ) and 1-butyl-3-methylimidazolium tetrafluoroborate (BMIM/BF 4 ) by means of atomistic molecular dynamics (MD) simulations. The corresponding Kirkwood-Buff (KB) integrals for the water-ion and ion-ion correlation behavior are calculated by a direct evaluation of the radial distribution functions. The outcomes are compared to the corresponding KB integrals derived by an inverse approach based on experimental data. Our results reveal a quantitative agreement between both approaches, which paves a way towards a more reliable comparison between simulation and experimental results. The simulation outcomes further highlight that water even at intermediate mole fractions has a negligible influence on the ion distribution in the solution. More detailed analysis on the local/bulk partition coefficients and the partial structure factors reveal that water molecules at low mole fractions mainly remain in the monomeric state. A non-linear increase of higher order water clusters can be found at larger water concentrations. For both ILs, a more pronounced water coordination around the cations when compared to the anions can be observed, which points out that the IL cations are mainly responsible for water pairing mechanisms. Our simulations thus provide detailed insights in the properties of dialkylimidazolium based ILs and their effects on water binding.

Water at silica/liquid water interfaces investigated by DFT-MD simulations

NASA Astrophysics Data System (ADS)

Gaigeot, Marie-Pierre

This talk is dedicated to probing the microscopic structural organization of water at silica/liquid water interfaces including electrolytes by first principles DFT-based molecular dynamics simulations (DFT-MD). We will present our very recent DFT-MD simulations of electrolytic (KCl, NaCl, NaI) silica/liquid water interfaces in order to unravel the intertwined structural properties of water and electrolytes at the crystalline quartz/liquid water and amorphous silica/liquid water interfaces. DFT-MD simulations provide direct knowledge of the structural organization of water and the H-Bond network formed between the water molecules within the different water layers above the silica surface. One can furthermore extract vibrational signatures of the water molecules within the interfacial layers from the DFT-MD simulations, especially non-linear SFG (Sum Frequency generation) signatures that are active at solid/liquid interfaces. The strength of the simulated spectra is that a detailed analysis of the signatures in terms of the water/water H-Bond networks formed within the interfacial water layers and in terms of the water/silica or water/electrolytes H-Bond networks can be given. Comparisons of SFG spectra between quartz/water/electrolytes and amorphous silica/water/electrolytes interfaces allow us to definitely conclude on how the structural arrangements of liquid water at these electrolytic interfaces modulate the final spectroscopic signatures. Invited speaker.

Identification of watershed priority management areas under water quality constraints: A simulation-optimization approach with ideal load reduction

NASA Astrophysics Data System (ADS)

Dong, Feifei; Liu, Yong; Wu, Zhen; Chen, Yihui; Guo, Huaicheng

2018-07-01

Targeting nonpoint source (NPS) pollution hot spots is of vital importance for placement of best management practices (BMPs). Although physically-based watershed models have been widely used to estimate nutrient emissions, connections between nutrient abatement and compliance of water quality standards have been rarely considered in NPS hotspot ranking, which may lead to ineffective decision-making. It's critical to develop a strategy to identify priority management areas (PMAs) based on water quality response to nutrient load mitigation. A water quality constrained PMA identification framework was thereby proposed in this study, based on the simulation-optimization approach with ideal load reduction (ILR-SO). It integrates the physically-based Soil and Water Assessment Tool (SWAT) model and an optimization model under constraints of site-specific water quality standards. To our knowledge, it was the first effort to identify PMAs with simulation-based optimization. The SWAT model was established to simulate temporal and spatial nutrient loading and evaluate effectiveness of pollution mitigation. A metamodel was trained to establish a quantitative relationship between sources and water quality. Ranking of priority areas is based on required nutrient load reduction in each sub-watershed targeting to satisfy water quality standards in waterbodies, which was calculated with genetic algorithm (GA). The proposed approach was used for identification of PMAs on the basis of diffuse total phosphorus (TP) in Lake Dianchi Watershed, one of the three most eutrophic large lakes in China. The modeling results demonstrated that 85% of diffuse TP came from 30% of the watershed area. Compared with the two conventional targeting strategies based on overland nutrient loss and instream nutrient loading, the ILR-SO model identified distinct PMAs and narrowed down the coverage of management areas. This study addressed the urgent need to incorporate water quality response into PMA identification and showed that the ILR-SO approach is effective to guide watershed management for aquatic ecosystem restoration.

Residential water demand model under block rate pricing: A case study of Beijing, China

NASA Astrophysics Data System (ADS)

Chen, H.; Yang, Z. F.

2009-05-01

In many cities, the inconsistency between water supply and water demand has become a critical problem because of deteriorating water shortage and increasing water demand. Uniform price of residential water cannot promote the efficient water allocation. In China, block water price will be put into practice in the future, but the outcome of such regulation measure is unpredictable without theory support. In this paper, the residential water is classified by the volume of water usage based on economic rules and block water is considered as different kinds of goods. A model based on extended linear expenditure system (ELES) is constructed to simulate the relationship between block water price and water demand, which provide theoretical support for the decision-makers. Finally, the proposed model is used to simulate residential water demand under block rate pricing in Beijing.

Development of an Improved Irrigation Subroutine in SWAT to Simulate the Hydrology of Rice Paddy Grown under Submerged Conditions

NASA Astrophysics Data System (ADS)

Muraleedharan, B. V.; Kathirvel, K.; Narasimhan, B.; Nallasamy, N. D.

2014-12-01

Soil Water Assessment Tool (SWAT) is a basin scale, distributed hydrological model commonly used to predict the effect of management decisions on the hydrologic response of watersheds. Hydrologic response is decided by the various components of water balance. In the case of watersheds located in south India as well as in several other tropical countries around the world, paddy is one of the dominant crop controlling the hydrologic response of a watershed. Hence, the suitability of SWAT in replicating the hydrology of paddy fields needs to be verified. Rice paddy fields are subjected to flooding method of irrigation, while the irrigation subroutines in SWAT are developed to simulate crops grown under non flooding conditions. Moreover irrigation is represented well in field scale models, while it is poorly represented within watershed models like SWAT. Reliable simulation of flooding method of irrigation and hydrology of the fields will assist in effective water resources management of rice paddy fields which are one of the major consumers of surface and ground water resources. The current study attempts to modify the irrigation subroutine in SWAT so as to simulate flooded irrigation condition. A field water balance study was conducted on representative fields located within Gadana, a subbasin located in Tamil Nadu (southern part of India) and dominated by rice paddy based irrigation systems. The water balance of irrigated paddy fields simulated with SWAT was compared with the water balance derived by rice paddy based crop growth model named ORYZA. The variation in water levels along with the soil moisture variation predicted by SWAT was evaluated with respect to the estimates derived from ORYZA. The water levels were further validated with field based water balance measurements taken on a daily scale. It was observed that the modified irrigation subroutine was able to simulate irrigation of rice paddy within SWAT in a realistic way compared to the existing method.

Simulation of the Regional Ground-Water-Flow System and Ground-Water/Surface-Water Interaction in the Rock River Basin, Wisconsin

USGS Publications Warehouse

Juckem, Paul F.

2009-01-01

A regional, two-dimensional, areal ground-water-flow model was developed to simulate the ground-water-flow system and ground-water/surface-water interaction in the Rock River Basin. The model was developed by the U.S. Geological Survey (USGS), in cooperation with the Rock River Coalition. The objectives of the regional model were to improve understanding of the ground-water-flow system and to develop a tool suitable for evaluating the effects of potential regional water-management programs. The computer code GFLOW was used because of the ease with which the model can simulate ground-water/surface-water interactions, provide a framework for simulating regional ground-water-flow systems, and be refined in a stepwise fashion to incorporate new data and simulate ground-water-flow patterns at multiple scales. The ground-water-flow model described in this report simulates the major hydrogeologic features of the modeled area, including bedrock and surficial aquifers, ground-water/surface-water interactions, and ground-water withdrawals from high-capacity wells. The steady-state model treats the ground-water-flow system as a single layer with hydraulic conductivity and base elevation zones that reflect the distribution of lithologic groups above the Precambrian bedrock and a regionally significant confining unit, the Maquoketa Formation. In the eastern part of the Basin where the shale-rich Maquoketa Formation is present, deep ground-water flow in the sandstone aquifer below the Maquoketa Formation was not simulated directly, but flow into this aquifer was incorporated into the GFLOW model from previous work in southeastern Wisconsin. Recharge was constrained primarily by stream base-flow estimates and was applied uniformly within zones guided by regional infiltration estimates for soils. The model includes average ground-water withdrawals from 1997 to 2006 for municipal wells and from 1997 to 2005 for high-capacity irrigation, industrial, and commercial wells. In addition, the model routes tributary base flow through the river network to the Rock River. The parameter-estimation code PEST was linked to the GFLOW model to select the combination of parameter values best able to match more than 8,000 water-level measurements and base-flow estimates at 9 streamgages. Results from the calibrated GFLOW model show simulated (1) ground-water-flow directions, (2) ground-water/surface-water interactions, as depicted in a map of gaining and losing river and lake sections, (3) ground-water contributing areas for selected tributary rivers, and (4) areas of relatively local ground water captured by rivers. Ground-water flow patterns are controlled primarily by river geometries, with most river sections gaining water from the ground-water-flow system; losing sections are most common on the downgradient shore of lakes and reservoirs or near major pumping centers. Ground-water contributing areas to tributary rivers generally coincide with surface watersheds; however the locations of ground-water divides are controlled by the water table, whereas surface-water divides are controlled by surface topography. Finally, areas of relatively local ground water captured by rivers generally extend upgradient from rivers but are modified by the regional flow pattern, such that these areas tend to shift toward regional ground-water divides for relatively small rivers. It is important to recognize the limitations of this regional-scale model. Heterogeneities in subsurface properties and in recharge rates are considered only at a very broad scale (miles to tens of miles). No account is taken of vertical variations in properties or pumping rates, and no provision is made to account for stacked ground-water-flow systems that have different flow patterns at different depths. Small-scale flow systems (hundreds to thousands of feet) associated with minor water bodies are not considered; as a result, the model is not currently designed for simulating site-specifi

Numerical Simulation of Ground-Water Withdrawals in the Southern Lihue Basin, Kauai, Hawaii

USGS Publications Warehouse

Izuka, Scot K.; Oki, Delwyn S.

2002-01-01

Numerical simulations indicate that ground-water withdrawals from the Hanamaulu and Puhi areas of the southern Lihue Basin will result in a decline in water levels and reductions in base flows of streams near proposed new water-supply wells. Most of the changes will be attained within 10 to 20 years of the start of pumping. Except for areas such as Puhi and Kilohana, the freshwater lens in most inland areas of the southern Lihue Basin is thick and model simulations indicate that changes in water level and the position of the freshwater- saltwater interface in response to pumping will be small relative to the present thickness of the freshwater lens. Effects of the proposed withdrawals on streamflow depend on withdrawal rate and proximity of the wells to streams. Placing pumped wells away from streams with low base flow and toward streams with high base flow can reduce the relative effect on individual streams. Simulation of the 0.42-million-gallon-per-day increase in withdrawal projected for 2000 indicates that the resulting changes in water levels and interface position, relative to conditions prior to the withdrawal increase, will be small, and that stream base flow will be reduced by less than 10 percent. Simulation of the 0.83-million-gallon-per-day withdrawal projected for 2010 indicates further thinning of the freshwater lens in the Puhi area, where the lens already may be thin, as well as base-flow reduction in Nawiliwili Stream. Simulation of an alternative distribution of the 0.83-million-gallon-per-day withdrawal indicates that the effects can be reduced by shifting most of the new withdrawal to the Hanamaulu area where the freshwater lens is thicker and stream base flows are greater. Simulation of the 1.16-million-gallon-per-day increase in withdrawal projected for 2020 indicates that if withdrawal is distributed only among Hana-maulu wells 1, 3, and 4, and Puhi well 5A, further thinning of the already-thin freshwater lens in the Puhi area would occur. Such a distribution would also exceed the maximum draft recommended by the water-systems standards used in Hawaii. Another simulation in which part of the 1.16 million gallons per day was distributed among three additional hypothetical wells in the Hanamaulu area showed that the pumping effects could be shifted from the Puhi area to the Hanamaulu area, where the freshwater lens is thicker, but that base flow in Hanamaulu Stream may decrease by as much as 16 percent.

Modelling and simulation of a pervaporation process using tubular module for production of anhydrous ethanol

NASA Astrophysics Data System (ADS)

Hieu, Nguyen Huu

2017-09-01

Pervaporation is a potential process for the final step of ethanol biofuel production. In this study, a mathematical model was developed based on the resistance-in-series model and a simulation was carried out using the specialized simulation software COMSOL Multiphysics to describe a tubular type pervaporation module with membranes for the dehydration of ethanol solution. The permeance of membranes, operating conditions, and feed conditions in the simulation were referred from experimental data reported previously in literature. Accordingly, the simulated temperature and density profiles of pure water and ethanol-water mixture were validated based on existing published data.

Fast Photon Monte Carlo for Water Cherenkov Detectors

NASA Astrophysics Data System (ADS)

Latorre, Anthony; Seibert, Stanley

2012-03-01

We present Chroma, a high performance optical photon simulation for large particle physics detectors, such as the water Cerenkov far detector option for LBNE. This software takes advantage of the CUDA parallel computing platform to propagate photons using modern graphics processing units. In a computer model of a 200 kiloton water Cerenkov detector with 29,000 photomultiplier tubes, Chroma can propagate 2.5 million photons per second, around 200 times faster than the same simulation with Geant4. Chroma uses a surface based approach to modeling geometry which offers many benefits over a solid based modelling approach which is used in other simulations like Geant4.

Prediction of Ordered Water Molecules in Protein Binding Sites from Molecular Dynamics Simulations: The Impact of Ligand Binding on Hydration Networks.

PubMed

Rudling, Axel; Orro, Adolfo; Carlsson, Jens

2018-02-26

Water plays a major role in ligand binding and is attracting increasing attention in structure-based drug design. Water molecules can make large contributions to binding affinity by bridging protein-ligand interactions or by being displaced upon complex formation, but these phenomena are challenging to model at the molecular level. Herein, networks of ordered water molecules in protein binding sites were analyzed by clustering of molecular dynamics (MD) simulation trajectories. Locations of ordered waters (hydration sites) were first identified from simulations of high resolution crystal structures of 13 protein-ligand complexes. The MD-derived hydration sites reproduced 73% of the binding site water molecules observed in the crystal structures. If the simulations were repeated without the cocrystallized ligands, a majority (58%) of the crystal waters in the binding sites were still predicted. In addition, comparison of the hydration sites obtained from simulations carried out in the absence of ligands to those identified for the complexes revealed that the networks of ordered water molecules were preserved to a large extent, suggesting that the locations of waters in a protein-ligand interface are mainly dictated by the protein. Analysis of >1000 crystal structures showed that hydration sites bridged protein-ligand interactions in complexes with different ligands, and those with high MD-derived occupancies were more likely to correspond to experimentally observed ordered water molecules. The results demonstrate that ordered water molecules relevant for modeling of protein-ligand complexes can be identified from MD simulations. Our findings could contribute to development of improved methods for structure-based virtual screening and lead optimization.

Comparison of DNDC and RZWQM2 for simulating hydrology and nitrogen dynamics in a corn-soybean system with a winter cover crop

NASA Astrophysics Data System (ADS)

Desjardins, R.; Smith, W.; Qi, Z.; Grant, B.; VanderZaag, A.

2017-12-01

Biophysical models are needed for assessing science-based mitigation options to improve the efficiency and sustainability of agricultural cropping systems. In order to account for trade-offs between environmental indicators such as GHG emissions, soil C change, and water quality it is important that models can encapsulate the complex array of interrelated biogeochemical processes controlling water, nutrient and energy flows in the agroecosystem. The Denitrification Decomposition (DNDC) model is one of the most widely used process-based models, and is arguably the most sophisticated for estimating GHG emissions and soil C&N cycling, however, the model simulates only simple cascade water flow. The purpose of this study was to compare the performance of DNDC to a comprehensive water flow model, the Root Zone Water Quality Model (RZWQM2), to determine which processes in DNDC may be limiting and recommend improvements. Both models were calibrated and validated for simulating crop biomass, soil hydrology, and nitrogen loss to tile drains using detailed observations from a corn-soybean rotation in Iowa, with and without cover crops. Results indicated that crop yields, biomass and the annual estimation of nitrogen and water loss to tiles drains were well simulated by both models (NSE > 0.6 in all cases); however, RZWQM2 performed much better for simulating soil water content, and the dynamics of daily water flow (DNDC: NSE -0.32 to 0.28; RZWQM2: NSE 0.34 to 0.70) to tile drains. DNDC overestimated soil water content near the soil surface and underestimated it deeper in the profile which was presumably caused by the lack of a root distribution algorithm, the inability to simulate a heterogeneous profile and lack of a water table. We recommend these improvements along with the inclusion of enhanced water flow and a mechanistic tile drainage sub-model. The accurate temporal simulation of water and N strongly impacts several biogeochemical processes.

Water management simulation games and the construction of knowledge

NASA Astrophysics Data System (ADS)

Rusca, M.; Heun, J.; Schwartz, K.

2012-03-01

In recent years simulations have become an important part of teaching activities. The reasons behind the popularity of simulation games are twofold. On the one hand, emerging theories on how people learn have called for an experienced-based learning approach. On the other hand, the demand for water management professionals has changed. Three important developments are having considerable consequences for water management programmes, which educate and train these professionals. These developments are the increasing emphasis on integration in water management, the characteristics and speed of reforms in the public sector and the shifting state-society relations in many countries. In response to these developments, demand from the labour market is oriented toward water professionals who need to have both a specialist in-depth knowledge in their own field, as well as the ability to understand and interact with other disciplines and interests. In this context, skills in negotiating, consensus building and working in teams are considered essential for all professionals. In this paper we argue that simulation games have an important role to play in (actively) educating students and training the new generation of water professionals to respond to the above-mentioned challenges. At the same time, simulations are not a panacea for learners and teachers. Challenges of using simulations games include the demands it places on the teacher. Setting up the simulation game, facilitating the delivery and ensuring that learning objectives are achieved requires considerable knowledge and experience as well as considerable time-inputs of the teacher. Moreover, simulation games usually incorporate a case-based learning model, which may neglect or underemphasize theories and conceptualization. For simulations to be effective they have to be embedded in this larger theoretical and conceptual framework. Simulations, therefore, complement rather than substitute traditional teaching methods.

Water management simulation games and the construction of knowledge

NASA Astrophysics Data System (ADS)

Rusca, M.; Heun, J.; Schwartz, K.

2012-08-01

In recent years, simulations have become an important part of teaching activities. The reasons behind the popularity of simulation games are twofold. On the one hand, emerging theories on how people learn have called for an experienced-based learning approach. On the other hand, the demand for water management professionals has changed. Three important developments are having considerable consequences for water management programmes, which educate and train these professionals. These developments are the increasing emphasis on integration in water management, the characteristics and speed of reforms in the public sector and the shifting state-society relations in many countries. In response to these developments, demand from the labour market is oriented toward water professionals who need to have both a specialist in-depth knowledge in their own field, as well as the ability to understand and interact with other disciplines and interests. In this context, skills in negotiating, consensus building and working in teams are considered essential for all professionals. In this paper, we argue that simulation games have an important role to play in (actively) educating students and training the new generation of water professionals to respond to the above-mentioned challenges. At the same time, simulations are not a panacea for learners and teachers. Challenges of using simulation games include the demands it places on the teacher. Setting up the simulation game, facilitating the delivery and ensuring that learning objectives are achieved require considerable knowledge and experience as well as considerable time-inputs of the teacher. Moreover, simulation games usually incorporate a case-based learning model, which may neglect or underemphasize theories and conceptualizations. For simulations to be effective, they have to be embedded in this larger theoretical and conceptual framework. Simulations, therefore, complement rather than substitute traditional teaching methods.

A Proposed Scalable Design and Simulation of Wireless Sensor Network-Based Long-Distance Water Pipeline Leakage Monitoring System

PubMed Central

Almazyad, Abdulaziz S.; Seddiq, Yasser M.; Alotaibi, Ahmed M.; Al-Nasheri, Ahmed Y.; BenSaleh, Mohammed S.; Obeid, Abdulfattah M.; Qasim, Syed Manzoor

2014-01-01

Anomalies such as leakage and bursts in water pipelines have severe consequences for the environment and the economy. To ensure the reliability of water pipelines, they must be monitored effectively. Wireless Sensor Networks (WSNs) have emerged as an effective technology for monitoring critical infrastructure such as water, oil and gas pipelines. In this paper, we present a scalable design and simulation of a water pipeline leakage monitoring system using Radio Frequency IDentification (RFID) and WSN technology. The proposed design targets long-distance aboveground water pipelines that have special considerations for maintenance, energy consumption and cost. The design is based on deploying a group of mobile wireless sensor nodes inside the pipeline and allowing them to work cooperatively according to a prescheduled order. Under this mechanism, only one node is active at a time, while the other nodes are sleeping. The node whose turn is next wakes up according to one of three wakeup techniques: location-based, time-based and interrupt-driven. In this paper, mathematical models are derived for each technique to estimate the corresponding energy consumption and memory size requirements. The proposed equations are analyzed and the results are validated using simulation. PMID:24561404

A proposed scalable design and simulation of wireless sensor network-based long-distance water pipeline leakage monitoring system.

PubMed

Almazyad, Abdulaziz S; Seddiq, Yasser M; Alotaibi, Ahmed M; Al-Nasheri, Ahmed Y; BenSaleh, Mohammed S; Obeid, Abdulfattah M; Qasim, Syed Manzoor

2014-02-20

Anomalies such as leakage and bursts in water pipelines have severe consequences for the environment and the economy. To ensure the reliability of water pipelines, they must be monitored effectively. Wireless Sensor Networks (WSNs) have emerged as an effective technology for monitoring critical infrastructure such as water, oil and gas pipelines. In this paper, we present a scalable design and simulation of a water pipeline leakage monitoring system using Radio Frequency IDentification (RFID) and WSN technology. The proposed design targets long-distance aboveground water pipelines that have special considerations for maintenance, energy consumption and cost. The design is based on deploying a group of mobile wireless sensor nodes inside the pipeline and allowing them to work cooperatively according to a prescheduled order. Under this mechanism, only one node is active at a time, while the other nodes are sleeping. The node whose turn is next wakes up according to one of three wakeup techniques: location-based, time-based and interrupt-driven. In this paper, mathematical models are derived for each technique to estimate the corresponding energy consumption and memory size requirements. The proposed equations are analyzed and the results are validated using simulation.

Modeling climate change impacts on maize growth with the focus on plant internal water transport

NASA Astrophysics Data System (ADS)

Heinlein, Florian; Biernath, Christian; Klein, Christian; Thieme, Christoph; Priesack, Eckart

2015-04-01

Based on climate change experiments in chambers and on field measurements, the scientific community expects regional and global changes of crop biomass production and yields. In central Europe one major aspect of climate change is the shift of precipitation towards winter months and the increase of extreme events, e.g. heat stress and heavy precipitation, during the main growing season in summer. To understand water uptake, water use, and transpiration rates by plants numerous crop models were developed. We tested the ability of two existing canopy models (CERES-Maize and SPASS) embedded in the model environment Expert-N5.0 to simulate the water balance, water use efficiency and crop growth. Additionally, sap flow was measured using heat-ratio measurement devices at the stem base of individual plants. The models were tested against data on soil water contents, as well as on evaporation and transpiration rates of Maize plants, which were grown on lysimeters at Helmholtz Zentrum München and in the field at the research station Scheyern, Germany, in summer 2013 and 2014. We present the simulation results and discuss observed shortcomings of the models. CERES-Maize and SPASS could simulate the measured dynamics of xylem sap flow. However, these models oversimplify plant water transport, and thus, cannot explain the underlying mechanisms. Therefore, to overcome these shortcomings, we additionally propose a new model, which is based on two coupled 1-D Richards equations, describing explicitly the plant and soil water transport. This model, which has previously successfully been applied to simulate water flux of 94 individual beech trees of an old-grown forest, will lead to a more mechanistic representation of the soil-plant-water-flow-continuum. This xylem water flux model was now implemented into the crop model SPASS and adjusted to simulate water flux of single maize plants. The modified version is presented and explained. Basic model input requirements are the plant above- and below-ground architectures. Shoot architectures were derived from terrestrial laser scanning. Root architectures of Maize plants were generated using a simple L-system. Preliminary results will be presented together with simulation results by CERES-Maize and SPASS.

Forage-based dairying in a water-limited future: use of models to investigate farming system adaptation in southern Australia.

PubMed

Chapman, D F; Dassanayake, K; Hill, J O; Cullen, B R; Lane, N

2012-07-01

The irrigated dairy industry in southern Australia has experienced significant restrictions in irrigation water allocations since 2005, consistent with climate change impact predictions for the region. Simulation models of pasture growth (DairyMod), crop yield (Agricultural Production Systems Simulator, APSIM), and dairy system management and production (UDDER) were used in combination to investigate a range of forage options that may be capable of sustaining dairy business profitability under restricted water-allocation scenarios in northern Victoria, Australia. A total of 23 scenarios were simulated and compared with a base farm system (100% of historical water allocations, grazed perennial ryegrass pasture with supplements; estimated operating surplus $A2,615/ha at a milk price of $A4.14/kg of milk solids). Nine simulations explored the response of the base farm to changes in stocking rate or the implementation of a double cropping rotation on 30% of farm area, or both. Five simulations explored the extreme scenario of dairying without any irrigation water. Two general responses to water restrictions were investigated in a further 9 simulations. Annual ryegrass grazed pasture, complemented by a double cropping rotation (maize grown in summer for silage, followed by either brassica forage crop and annual ryegrass for silage in winter and spring) on 30% of farm area, led to an estimated operating surplus of $A1746/ha at the same stocking rate as the base farm when calving was moved to autumn (instead of late winter, as in the base system). Estimated total irrigation water use was 2.7ML/ha compared with 5.4ML/ha for the base system. Summer-dormant perennial grass plus double cropping (30% of farm area) lifted operating surplus by a further $A100/ha if associated with autumn calving (estimated total irrigation water use 3.1ML/ha). Large shifts in the forage base of dairy farms could sustain profitability in the face of lower, and fluctuating, water allocations. However, changes in other strategic management policies, notably calving date and stocking rate, would be required, and these systems would be more complex to manage. The adaptation scenarios that resulted in the highest estimated operating surplus were those where at least 10 t of pasture or crop DM was grazed directly by cows per hectare per year, resulting in grazed pasture intake of at least 2 t of DM/cow, and at least 60% of all homegrown feed that was consumed was grazed directly. Copyright © 2012 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

A web-based Tamsui River flood early-warning system with correction of real-time water stage using monitoring data

NASA Astrophysics Data System (ADS)

Liao, H. Y.; Lin, Y. J.; Chang, H. K.; Shang, R. K.; Kuo, H. C.; Lai, J. S.; Tan, Y. C.

2017-12-01

Taiwan encounters heavy rainfalls frequently. There are three to four typhoons striking Taiwan every year. To provide lead time for reducing flood damage, this study attempt to build a flood early-warning system (FEWS) in Tanshui River using time series correction techniques. The predicted rainfall is used as the input for the rainfall-runoff model. Then, the discharges calculated by the rainfall-runoff model is converted to the 1-D river routing model. The 1-D river routing model will output the simulating water stages in 487 cross sections for the future 48-hr. The downstream water stage at the estuary in 1-D river routing model is provided by storm surge simulation. Next, the water stages of 487 cross sections are corrected by time series model such as autoregressive (AR) model using real-time water stage measurements to improve the predicted accuracy. The results of simulated water stages are displayed on a web-based platform. In addition, the models can be performed remotely by any users with web browsers through a user interface. The on-line video surveillance images, real-time monitoring water stages, and rainfalls can also be shown on this platform. If the simulated water stage exceeds the embankments of Tanshui River, the alerting lights of FEWS will be flashing on the screen. This platform runs periodically and automatically to generate the simulation graphic data of flood water stages for flood disaster prevention and decision making.

Implementation of channel-routing routines in the Water Erosion Prediction Project (WEPP) model

Treesearch

Li Wang; Joan Q. Wu; William J. Elliott; Shuhui Dun; Sergey Lapin; Fritz R. Fiedler; Dennis C. Flanagan

2010-01-01

The Water Erosion Prediction Project (WEPP) model is a process-based, continuous-simulation, watershed hydrology and erosion model. It is an important tool for water erosion simulation owing to its unique functionality in representing diverse landuse and management conditions. Its applicability is limited to relatively small watersheds since its current version does...

Global network of embodied water flow by systems input-output simulation

NASA Astrophysics Data System (ADS)

Chen, Zhanming; Chen, Guoqian; Xia, Xiaohua; Xu, Shiyun

2012-09-01

The global water resources network is simulated in the present work for the latest target year with statistical data available and with the most detailed data disaggregation. A top-down approach of systems inputoutput simulation is employed to track the embodied water flows associated with economic flows for the globalized economy in 2004. The numerical simulation provides a database of embodied water intensities for all economic commodities from 4928 producers, based on which the differences between direct and indirect water using efficiencies at the global scale are discussed. The direct and embodied water uses are analyzed at continental level. Besides, the commodity demand in terms of monetary expenditure and the water demand in terms of embodied water use are compared for the world as well as for three major water using regions, i.e., India, China, and the United States. Results show that food product contributes to a significant fraction for water demand, despite the value varies significantly with respect to the economic status of region.

Closing loop base pairs in RNA loop-loop complexes: structural behavior, interaction energy and solvation analysis through molecular dynamics simulations.

PubMed

Golebiowski, Jérôme; Antonczak, Serge; Fernandez-Carmona, Juan; Condom, Roger; Cabrol-Bass, Daniel

2004-12-01

Nanosecond molecular dynamics using the Ewald summation method have been performed to elucidate the structural and energetic role of the closing base pair in loop-loop RNA duplexes neutralized by Mg2+ counterions in aqueous phases. Mismatches GA, CU and Watson-Crick GC base pairs have been considered for closing the loop of an RNA in complementary interaction with HIV-1 TAR. The simulations reveal that the mismatch GA base, mediated by a water molecule, leads to a complex that presents the best compromise between flexibility and energetic contributions. The mismatch CU base pair, in spite of the presence of an inserted water molecule, is too short to achieve a tight interaction at the closing-loop junction and seems to force TAR to reorganize upon binding. An energetic analysis has allowed us to quantify the strength of the interactions of the closing and the loop-loop pairs throughout the simulations. Although the water-mediated GA closing base pair presents an interaction energy similar to that found on fully geometry-optimized structure, the water-mediated CU closing base pair energy interaction reaches less than half the optimal value.

MODFLOW-based coupled surface water routing and groundwater-flow simulation

USGS Publications Warehouse

Hughes, Joseph D.; Langevin, Christian D.; White, Jeremy T.

2015-01-01

In this paper, we present a flexible approach for simulating one- and two-dimensional routing of surface water using a numerical surface water routing (SWR) code implicitly coupled to the groundwater-flow process in MODFLOW. Surface water routing in SWR can be simulated using a diffusive-wave approximation of the Saint-Venant equations and/or a simplified level-pool approach. SWR can account for surface water flow controlled by backwater conditions caused by small water-surface gradients or surface water control structures. A number of typical surface water control structures, such as culverts, weirs, and gates, can be represented, and it is possible to implement operational rules to manage surface water stages and streamflow. The nonlinear system of surface water flow equations formulated in SWR is solved by using Newton methods and direct or iterative solvers. SWR was tested by simulating the (1) Lal axisymmetric overland flow, (2) V-catchment, and (3) modified Pinder-Sauer problems. Simulated results for these problems compare well with other published results and indicate that SWR provides accurate results for surface water-only and coupled surface water/groundwater problems. Results for an application of SWR and MODFLOW to the Snapper Creek area of Miami-Dade County, Florida, USA are also presented and demonstrate the value of coupled surface water and groundwater simulation in managed, low-relief coastal settings.

Simulation and prediction the impact of climate change into water resources in Bengawan Solo watershed based on CCAM (Conformal Cubic Atmospheric Model) data

NASA Astrophysics Data System (ADS)

Sipayung, Sinta B.; Nurlatifah, Amalia; Siswanto, Bambang

2018-05-01

Bengawan Solo Watershed is one of the largest watersheds in Indonesia. This watershed flows in many areas both in Central Java and East Java. Therefore, the water resources condition greatly affects many people. This research will be conducted on prediction of climate change effect on water resources condition in terms of rainfall conditions in Bengawan Solo River Basin. The goal of this research is to know and predict the climate change impact on water resources based on CCAM (Conformal Cubic Atmosphere Model) with downscaling baseline (historical) model data from 1949 to 2005 and RCP 4.5 from 2006 to 2069. The modeling data was validated with in-situ data (measurement data). To analyse the water availability condition in Bengawan Solo Watershed, the simulation of river flow and water balance condition were done in Bengawan Solo River. Simulation of river flow and water balance conditions were done with ArcSWAT model using climate data from CCAM, DEM SRTM 90 meter, soil type, and land use data. The results of this simulation indicate there is (i) The CCAM data itself after validation has a pretty good result when compared to the insitu data. Based on CCAM simulation results, it is predicted that in 2040-2069 rainfall in Bengawan Solo River Basin will decrease, to a maximum of only about 1 mm when compared to 1971-2000. (ii) The CCAM rainfall prediction itself shows that rainfall in Bengawan Solo River basin will decline until 2069 although the decline itself is not significant and tends to be negligible (rainfall is considered unchanged) (iii) Both in the DJF and JJA seasons, precipitation is predicted to decline as well despite the significant decline. (iv) The river flow simulation show that the water resources in Bengawan Solo River did not change significantly. This event occurred because the rainfall also did not change greatly and close to 0 mm/month.

Effect of inlet modelling on surface drainage in coupled urban flood simulation

NASA Astrophysics Data System (ADS)

Jang, Jiun-Huei; Chang, Tien-Hao; Chen, Wei-Bo

2018-07-01

For a highly developed urban area with complete drainage systems, flood simulation is necessary for describing the flow dynamics from rainfall, to surface runoff, and to sewer flow. In this study, a coupled flood model based on diffusion wave equations was proposed to simulate one-dimensional sewer flow and two-dimensional overland flow simultaneously. The overland flow model provides details on the rainfall-runoff process to estimate the excess runoff that enters the sewer system through street inlets for sewer flow routing. Three types of inlet modelling are considered in this study, including the manhole-based approach that ignores the street inlets by draining surface water directly into manholes, the inlet-manhole approach that drains surface water into manholes that are each connected to multiple inlets, and the inlet-node approach that drains surface water into sewer nodes that are connected to individual inlets. The simulation results were compared with a high-intensity rainstorm event that occurred in 2015 in Taipei City. In the verification of the maximum flood extent, the two approaches that considered street inlets performed considerably better than that without street inlets. When considering the aforementioned models in terms of temporal flood variation, using manholes as receivers leads to an overall inefficient draining of the surface water either by the manhole-based approach or by the inlet-manhole approach. Using the inlet-node approach is more reasonable than using the inlet-manhole approach because the inlet-node approach greatly reduces the fluctuation of the sewer water level. The inlet-node approach is more efficient in draining surface water by reducing flood volume by 13% compared with the inlet-manhole approach and by 41% compared with the manhole-based approach. The results show that inlet modeling has a strong influence on drainage efficiency in coupled flood simulation.

System-Wide Water Resources Program Nutrient Sub-Model (SWWRP-NSM) Version 1.1

DTIC Science & Technology

2008-09-01

species including crops, native grasses, and trees . The process descriptions utilize a single plant growth model to simulate all types of land covers...characteristics: • Multi- species , multi-phase, and multi-reaction system • Fast (equilibrium-based) and slow (non-equilibrium-based or rate- based...Transformation and loading of N and P species in the overland flow • Simulation of the N and P cycle in the water column (both overland and

Conformational equilibria of alkanes in aqueous solution: relationship to water structure near hydrophobic solutes.

PubMed Central

Ashbaugh, H S; Garde, S; Hummer, G; Kaler, E W; Paulaitis, M E

1999-01-01

Conformational free energies of butane, pentane, and hexane in water are calculated from molecular simulations with explicit waters and from a simple molecular theory in which the local hydration structure is estimated based on a proximity approximation. This proximity approximation uses only the two nearest carbon atoms on the alkane to predict the local water density at a given point in space. Conformational free energies of hydration are subsequently calculated using a free energy perturbation method. Quantitative agreement is found between the free energies obtained from simulations and theory. Moreover, free energy calculations using this proximity approximation are approximately four orders of magnitude faster than those based on explicit water simulations. Our results demonstrate the accuracy and utility of the proximity approximation for predicting water structure as the basis for a quantitative description of n-alkane conformational equilibria in water. In addition, the proximity approximation provides a molecular foundation for extending predictions of water structure and hydration thermodynamic properties of simple hydrophobic solutes to larger clusters or assemblies of hydrophobic solutes. PMID:10423414

Simulation of groundwater flow in the glacial aquifer system of northeastern Wisconsin with variable model complexity

USGS Publications Warehouse

Juckem, Paul F.; Clark, Brian R.; Feinstein, Daniel T.

2017-05-04

The U.S. Geological Survey, National Water-Quality Assessment seeks to map estimated intrinsic susceptibility of the glacial aquifer system of the conterminous United States. Improved understanding of the hydrogeologic characteristics that explain spatial patterns of intrinsic susceptibility, commonly inferred from estimates of groundwater age distributions, is sought so that methods used for the estimation process are properly equipped. An important step beyond identifying relevant hydrogeologic datasets, such as glacial geology maps, is to evaluate how incorporation of these resources into process-based models using differing levels of detail could affect resulting simulations of groundwater age distributions and, thus, estimates of intrinsic susceptibility.This report describes the construction and calibration of three groundwater-flow models of northeastern Wisconsin that were developed with differing levels of complexity to provide a framework for subsequent evaluations of the effects of process-based model complexity on estimations of groundwater age distributions for withdrawal wells and streams. Preliminary assessments, which focused on the effects of model complexity on simulated water levels and base flows in the glacial aquifer system, illustrate that simulation of vertical gradients using multiple model layers improves simulated heads more in low-permeability units than in high-permeability units. Moreover, simulation of heterogeneous hydraulic conductivity fields in coarse-grained and some fine-grained glacial materials produced a larger improvement in simulated water levels in the glacial aquifer system compared with simulation of uniform hydraulic conductivity within zones. The relation between base flows and model complexity was less clear; however, the relation generally seemed to follow a similar pattern as water levels. Although increased model complexity resulted in improved calibrations, future application of the models using simulated particle tracking is anticipated to evaluate if these model design considerations are similarly important for understanding the primary modeling objective - to simulate reasonable groundwater age distributions.

Hierarchical lattice models of hydrogen-bond networks in water

NASA Astrophysics Data System (ADS)

Dandekar, Rahul; Hassanali, Ali A.

2018-06-01

We develop a graph-based model of the hydrogen-bond network in water, with a view toward quantitatively modeling the molecular-level correlational structure of the network. The networks formed are studied by the constructing the model on two infinite-dimensional lattices. Our models are built bottom up, based on microscopic information coming from atomistic simulations, and we show that the predictions of the model are consistent with known results from ab initio simulations of liquid water. We show that simple entropic models can predict the correlations and clustering of local-coordination defects around tetrahedral waters observed in the atomistic simulations. We also find that orientational correlations between bonds are longer ranged than density correlations, determine the directional correlations within closed loops, and show that the patterns of water wires within these structures are also consistent with previous atomistic simulations. Our models show the existence of density and compressibility anomalies, as seen in the real liquid, and the phase diagram of these models is consistent with the singularity-free scenario previously proposed by Sastry and coworkers [Phys. Rev. E 53, 6144 (1996), 10.1103/PhysRevE.53.6144].

Pump-stopping water hammer simulation based on RELAP5

NASA Astrophysics Data System (ADS)

Yi, W. S.; Jiang, J.; Li, D. D.; Lan, G.; Zhao, Z.

2013-12-01

RELAP5 was originally designed to analyze complex thermal-hydraulic interactions that occur during either postulated large or small loss-of-coolant accidents in PWRs. However, as development continued, the code was expanded to include many of the transient scenarios that might occur in thermal-hydraulic systems. The fast deceleration of the liquid results in high pressure surges, thus the kinetic energy is transformed into the potential energy, which leads to the temporary pressure increase. This phenomenon is called water hammer. Generally water hammer can occur in any thermal-hydraulic systems and it is extremely dangerous for the system when the pressure surges become considerably high. If this happens and when the pressure exceeds the critical pressure that the pipe or the fittings along the pipeline can burden, it will result in the failure of the whole pipeline integrity. The purpose of this article is to introduce the RELAP5 to the simulation and analysis of water hammer situations. Based on the knowledge of the RELAP5 code manuals and some relative documents, the authors utilize RELAP5 to set up an example of water-supply system via an impeller pump to simulate the phenomena of the pump-stopping water hammer. By the simulation of the sample case and the subsequent analysis of the results that the code has provided, we can have a better understand of the knowledge of water hammer as well as the quality of the RELAP5 code when it's used in the water-hammer fields. In the meantime, By comparing the results of the RELAP5 based model with that of other fluid-transient analysis software say, PIPENET. The authors make some conclusions about the peculiarity of RELAP5 when transplanted into water-hammer research and offer several modelling tips when use the code to simulate a water-hammer related case.

Performance Modeling of an Airborne Raman Water Vapor Lidar

NASA Technical Reports Server (NTRS)

Whiteman, D. N.; Schwemmer, G.; Berkoff, T.; Plotkin, H.; Ramos-Izquierdo, L.; Pappalardo, G.

2000-01-01

A sophisticated Raman lidar numerical model had been developed. The model has been used to simulate the performance of two ground-based Raman water vapor lidar systems. After tuning the model using these ground-based measurements, the model is used to simulate the water vapor measurement capability of an airborne Raman lidar under both day-and night-time conditions for a wide range of water vapor conditions. The results indicate that, under many circumstances, the daytime measurements possess comparable resolution to an existing airborne differential absorption water vapor lidar while the nighttime measurement have higher resolution. In addition, a Raman lidar is capable of measurements not possible using a differential absorption system.

Quantifying the Contribution of Regional Aquifers to Stream Flow in the Upper Colorado River Basin

NASA Astrophysics Data System (ADS)

Masbruch, M.; Dickinson, J.

2017-12-01

The growing population of the arid and semiarid southwestern U.S. relies on over-allocated surface water resources and poorly quantified groundwater resources. In the Upper Colorado River Basin, recent studies have found that about 50 percent of the surface water at U.S. Geological Survey (USGS) stream gages is derived from groundwater contributions as base flow. Prior USGS and other studies for the Colorado Plateau region have mainly examined groundwater and surface water as separate systems, and there has yet to be regional synthesis of groundwater availability in aquifers that contribute to surface water. A more physically based representation of groundwater flow could improve simulations of surface-water capture by groundwater pumping, and changes of groundwater discharge to surface water caused by possible shifts in the distribution, magnitude, and timing of recharge in the future. We seek to improve conceptual and numerical models of groundwater and surface-water interactions in the Colorado Plateau region as part of a USGS regional groundwater availability assessment. Numerical modeling is used to simulate and quantify the base flow from groundwater to the Colorado River and its major tributaries. Groundwater/surface-water interactions will be simulated using the USGS code GSFLOW, which couples the Precipitation Runoff Modeling System (PRMS) to the groundwater flow model MODFLOW. Initial results suggest that interactions between groundwater and surface water are important for projecting long-term changes in surface water budgets.

An efficient soil water balance model based on hybrid numerical and statistical methods

NASA Astrophysics Data System (ADS)

Mao, Wei; Yang, Jinzhong; Zhu, Yan; Ye, Ming; Liu, Zhao; Wu, Jingwei

2018-04-01

Most soil water balance models only consider downward soil water movement driven by gravitational potential, and thus cannot simulate upward soil water movement driven by evapotranspiration especially in agricultural areas. In addition, the models cannot be used for simulating soil water movement in heterogeneous soils, and usually require many empirical parameters. To resolve these problems, this study derives a new one-dimensional water balance model for simulating both downward and upward soil water movement in heterogeneous unsaturated zones. The new model is based on a hybrid of numerical and statistical methods, and only requires four physical parameters. The model uses three governing equations to consider three terms that impact soil water movement, including the advective term driven by gravitational potential, the source/sink term driven by external forces (e.g., evapotranspiration), and the diffusive term driven by matric potential. The three governing equations are solved separately by using the hybrid numerical and statistical methods (e.g., linear regression method) that consider soil heterogeneity. The four soil hydraulic parameters required by the new models are as follows: saturated hydraulic conductivity, saturated water content, field capacity, and residual water content. The strength and weakness of the new model are evaluated by using two published studies, three hypothetical examples and a real-world application. The evaluation is performed by comparing the simulation results of the new model with corresponding results presented in the published studies, obtained using HYDRUS-1D and observation data. The evaluation indicates that the new model is accurate and efficient for simulating upward soil water flow in heterogeneous soils with complex boundary conditions. The new model is used for evaluating different drainage functions, and the square drainage function and the power drainage function are recommended. Computational efficiency of the new model makes it particularly suitable for large-scale simulation of soil water movement, because the new model can be used with coarse discretization in space and time.

Simulating carbon and water fluxes at Arctic and boreal ecosystems in Alaska by optimizing the modified BIOME-BGC with eddy covariance data

NASA Astrophysics Data System (ADS)

Ueyama, M.; Kondo, M.; Ichii, K.; Iwata, H.; Euskirchen, E. S.; Zona, D.; Rocha, A. V.; Harazono, Y.; Nakai, T.; Oechel, W. C.

2013-12-01

To better predict carbon and water cycles in Arctic ecosystems, we modified a process-based ecosystem model, BIOME-BGC, by introducing new processes: change in active layer depth on permafrost and phenology of tundra vegetation. The modified BIOME-BGC was optimized using an optimization method. The model was constrained using gross primary productivity (GPP) and net ecosystem exchange (NEE) at 23 eddy covariance sites in Alaska, and vegetation/soil carbon from a literature survey. The model was used to simulate regional carbon and water fluxes of Alaska from 1900 to 2011. Simulated regional fluxes were validated with upscaled GPP, ecosystem respiration (RE), and NEE based on two methods: (1) a machine learning technique and (2) a top-down model. Our initial simulation suggests that the original BIOME-BGC with default ecophysiological parameters substantially underestimated GPP and RE for tundra and overestimated those fluxes for boreal forests. We will discuss how optimization using the eddy covariance data impacts the historical simulation by comparing the new version of the model with simulated results from the original BIOME-BGC with default ecophysiological parameters. This suggests that the incorporation of the active layer depth and plant phenology processes is important to include when simulating carbon and water fluxes in Arctic ecosystems.

Modelling water uptake efficiency of root systems

NASA Astrophysics Data System (ADS)

Leitner, Daniel; Tron, Stefania; Schröder, Natalie; Bodner, Gernot; Javaux, Mathieu; Vanderborght, Jan; Vereecken, Harry; Schnepf, Andrea

2016-04-01

Water uptake is crucial for plant productivity. Trait based breeding for more water efficient crops will enable a sustainable agricultural management under specific pedoclimatic conditions, and can increase drought resistance of plants. Mathematical modelling can be used to find suitable root system traits for better water uptake efficiency defined as amount of water taken up per unit of root biomass. This approach requires large simulation times and large number of simulation runs, since we test different root systems under different pedoclimatic conditions. In this work, we model water movement by the 1-dimensional Richards equation with the soil hydraulic properties described according to the van Genuchten model. Climatic conditions serve as the upper boundary condition. The root system grows during the simulation period and water uptake is calculated via a sink term (after Tron et al. 2015). The goal of this work is to compare different free software tools based on different numerical schemes to solve the model. We compare implementations using DUMUX (based on finite volumes), Hydrus 1D (based on finite elements), and a Matlab implementation of Van Dam, J. C., & Feddes 2000 (based on finite differences). We analyse the methods for accuracy, speed and flexibility. Using this model case study, we can clearly show the impact of various root system traits on water uptake efficiency. Furthermore, we can quantify frequent simplifications that are introduced in the modelling step like considering a static root system instead of a growing one, or considering a sink term based on root density instead of considering the full root hydraulic model (Javaux et al. 2008). References Tron, S., Bodner, G., Laio, F., Ridolfi, L., & Leitner, D. (2015). Can diversity in root architecture explain plant water use efficiency? A modeling study. Ecological modelling, 312, 200-210. Van Dam, J. C., & Feddes, R. A. (2000). Numerical simulation of infiltration, evaporation and shallow groundwater levels with the Richards equation. Journal of Hydrology, 233(1), 72-85. Javaux, M., Schröder, T., Vanderborght, J., & Vereecken, H. (2008). Use of a three-dimensional detailed modeling approach for predicting root water uptake. Vadose Zone Journal, 7(3), 1079-1088.

Acoustic-based proton range verification in heterogeneous tissue: simulation studies

NASA Astrophysics Data System (ADS)

Jones, Kevin C.; Nie, Wei; Chu, James C. H.; Turian, Julius V.; Kassaee, Alireza; Sehgal, Chandra M.; Avery, Stephen

2018-01-01

Acoustic-based proton range verification (protoacoustics) is a potential in vivo technique for determining the Bragg peak position. Previous measurements and simulations have been restricted to homogeneous water tanks. Here, a CT-based simulation method is proposed and applied to a liver and prostate case to model the effects of tissue heterogeneity on the protoacoustic amplitude and time-of-flight range verification accuracy. For the liver case, posterior irradiation with a single proton pencil beam was simulated for detectors placed on the skin. In the prostate case, a transrectal probe measured the protoacoustic pressure generated by irradiation with five separate anterior proton beams. After calculating the proton beam dose deposition, each CT voxel’s material properties were mapped based on Hounsfield Unit values, and thermoacoustically-generated acoustic wave propagation was simulated with the k-Wave MATLAB toolbox. By comparing the simulation results for the original liver CT to homogenized variants, the effects of heterogeneity were assessed. For the liver case, 1.4 cGy of dose at the Bragg peak generated 50 mPa of pressure (13 cm distal), a 2×  lower amplitude than simulated in a homogeneous water tank. Protoacoustic triangulation of the Bragg peak based on multiple detector measurements resulted in 0.4 mm accuracy for a δ-function proton pulse irradiation of the liver. For the prostate case, higher amplitudes are simulated (92-1004 mPa) for closer detectors (<8 cm). For four of the prostate beams, the protoacoustic range triangulation was accurate to  ⩽1.6 mm (δ-function proton pulse). Based on the results, application of protoacoustic range verification to heterogeneous tissue will result in decreased signal amplitudes relative to homogeneous water tank measurements, but accurate range verification is still expected to be possible.

Two dimensional finite element modelling for dynamic water diffusion through stratum corneum.

PubMed

Xiao, Perry; Imhof, Robert E

2012-10-01

Solvents penetration through in vivo human stratum corneum (SC) has always been an interesting research area for trans-dermal drug delivery studies, and the importance of intercellular routes (diffuse in between corneocytes) and transcellular routes (diffuse through corneocytes) during diffusion is often debatable. In this paper, we have developed a two dimensional finite element model to simulate the dynamic water diffusion through the SC. It is based on the brick-and-mortar model, with brick represents corneocytes and mortar represents lipids, respectively. It simulates the dynamic water diffusion process through the SC from pre-defined initial conditions and boundary conditions. Although the simulation is based on water diffusions, the principles can also be applied to the diffusions of other topical applied substances. The simulation results show that both intercellular routes and transcellular routes are important for water diffusion. Although intercellular routes have higher flux rates, most of the water still diffuse through transcellular routes because of the high cross area ratio of corneocytes and lipids. The diffusion water flux, or trans-epidermal water loss (TEWL), is reversely proportional to corneocyte size, i.e. the larger the corneocyte size, the lower the TEWL, and vice versa. There is also an effect of the SC thickness, external air conditions and diffusion coefficients on the water diffusion through SC on the resulting TEWL. Copyright © 2012 Elsevier B.V. All rights reserved.

Elemental Water Impact Test: Phase 1 20-Inch Hemisphere

NASA Technical Reports Server (NTRS)

Vassilakos, Gregory J.

2015-01-01

Spacecraft are being designed based on LS-DYNA simulations of water landing impacts. The Elemental Water Impact Test (EWIT) series was undertaken to assess the accuracy of LS-DYNA water impact simulations. Phase 1 of the EWIT series featured water impact tests of a 20-inch hemisphere dropped from heights of 5 feet and 10 feet. The hemisphere was outfitted with an accelerometer and three pressure gages. The focus of this report is the correlation of analytical models against test data.

Climate change and northern prairie wetlands: Simulations of long-term dynamics

USGS Publications Warehouse

Poiani, Karen A.; Johnson, W. Carter; Swanson, George A.; Winter, Thomas C.

1996-01-01

A mathematical model (WETSIM 2.0) was used to simulate wetland hydrology and vegetation dynamics over a 32-yr period (1961–1992) in a North Dakota prairie wetland. A hydrology component of the model calculated changes in water storage based on precipitation, evapotranspiration, snowpack, surface runoff, and subsurface inflow. A spatially explicit vegetation component in the model calculated changes in distribution of vegetative cover and open water, depending on water depth, seasonality, and existing type of vegetation.The model reproduced four known dry periods and one extremely wet period during the three decades. One simulated dry period in the early 1980s did not actually occur. Simulated water levels compared favorably with continuous observed water levels outside the calibration period (1990–1992). Changes in vegetative cover were realistic except for years when simulated water levels were significantly different than actual levels. These generally positive results support the use of the model for exploring the effects of possible climate changes on wetland resources.

Runoff simulation sensitivity to remotely sensed initial soil water content

NASA Astrophysics Data System (ADS)

Goodrich, D. C.; Schmugge, T. J.; Jackson, T. J.; Unkrich, C. L.; Keefer, T. O.; Parry, R.; Bach, L. B.; Amer, S. A.

1994-05-01

A variety of aircraft remotely sensed and conventional ground-based measurements of volumetric soil water content (SW) were made over two subwatersheds (4.4 and 631 ha) of the U.S. Department of Agriculture's Agricultural Research Service Walnut Gulch experimental watershed during the 1990 monsoon season. Spatially distributed soil water contents estimated remotely from the NASA push broom microwave radiometer (PBMR), an Institute of Radioengineering and Electronics (IRE) multifrequency radiometer, and three ground-based point methods were used to define prestorm initial SW for a distributed rainfall-runoff model (KINEROS; Woolhiser et al., 1990) at a small catchment scale (4.4 ha). At a medium catchment scale (631 ha or 6.31 km2) spatially distributed PBMR SW data were aggregated via stream order reduction. The impacts of the various spatial averages of SW on runoff simulations are discussed and are compared to runoff simulations using SW estimates derived from a simple daily water balance model. It was found that at the small catchment scale the SW data obtained from any of the measurement methods could be used to obtain reasonable runoff predictions. At the medium catchment scale, a basin-wide remotely sensed average of initial water content was sufficient for runoff simulations. This has important implications for the possible use of satellite-based microwave soil moisture data to define prestorm SW because the low spatial resolutions of such sensors may not seriously impact runoff simulations under the conditions examined. However, at both the small and medium basin scale, adequate resources must be devoted to proper definition of the input rainfall to achieve reasonable runoff simulations.

Structure and dynamics of aqueous solutions from PBE-based first-principles molecular dynamics simulations.

PubMed

Pham, Tuan Anh; Ogitsu, Tadashi; Lau, Edmond Y; Schwegler, Eric

2016-10-21

Establishing an accurate and predictive computational framework for the description of complex aqueous solutions is an ongoing challenge for density functional theory based first-principles molecular dynamics (FPMD) simulations. In this context, important advances have been made in recent years, including the development of sophisticated exchange-correlation functionals. On the other hand, simulations based on simple generalized gradient approximation (GGA) functionals remain an active field, particularly in the study of complex aqueous solutions due to a good balance between the accuracy, computational expense, and the applicability to a wide range of systems. Such simulations are often performed at elevated temperatures to artificially "correct" for GGA inaccuracies in the description of liquid water; however, a detailed understanding of how the choice of temperature affects the structure and dynamics of other components, such as solvated ions, is largely unknown. To address this question, we carried out a series of FPMD simulations at temperatures ranging from 300 to 460 K for liquid water and three representative aqueous solutions containing solvated Na + , K + , and Cl - ions. We show that simulations at 390-400 K with the Perdew-Burke-Ernzerhof (PBE) exchange-correlation functional yield water structure and dynamics in good agreement with experiments at ambient conditions. Simultaneously, this computational setup provides ion solvation structures and ion effects on water dynamics consistent with experiments. Our results suggest that an elevated temperature around 390-400 K with the PBE functional can be used for the description of structural and dynamical properties of liquid water and complex solutions with solvated ions at ambient conditions.

Generalizable open source urban water portfolio simulation framework demonstrated using a multi-objective risk-based planning benchmark problem.

NASA Astrophysics Data System (ADS)

Trindade, B. C.; Reed, P. M.

2017-12-01

The growing access and reduced cost for computing power in recent years has promoted rapid development and application of multi-objective water supply portfolio planning. As this trend continues there is a pressing need for flexible risk-based simulation frameworks and improved algorithm benchmarking for emerging classes of water supply planning and management problems. This work contributes the Water Utilities Management and Planning (WUMP) model: a generalizable and open source simulation framework designed to capture how water utilities can minimize operational and financial risks by regionally coordinating planning and management choices, i.e. making more efficient and coordinated use of restrictions, water transfers and financial hedging combined with possible construction of new infrastructure. We introduce the WUMP simulation framework as part of a new multi-objective benchmark problem for planning and management of regionally integrated water utility companies. In this problem, a group of fictitious water utilities seek to balance the use of the mentioned reliability driven actions (e.g., restrictions, water transfers and infrastructure pathways) and their inherent financial risks. Several traits of this problem make it ideal for a benchmark problem, namely the presence of (1) strong non-linearities and discontinuities in the Pareto front caused by the step-wise nature of the decision making formulation and by the abrupt addition of storage through infrastructure construction, (2) noise due to the stochastic nature of the streamflows and water demands, and (3) non-separability resulting from the cooperative formulation of the problem, in which decisions made by stakeholder may substantially impact others. Both the open source WUMP simulation framework and its demonstration in a challenging benchmarking example hold value for promoting broader advances in urban water supply portfolio planning for regions confronting change.

Root growth, water uptake, and sap flow of winter wheat in response to different soil water conditions

NASA Astrophysics Data System (ADS)

Cai, Gaochao; Vanderborght, Jan; Langensiepen, Matthias; Schnepf, Andrea; Hüging, Hubert; Vereecken, Harry

2018-04-01

How much water can be taken up by roots and how this depends on the root and water distributions in the root zone are important questions that need to be answered to describe water fluxes in the soil-plant-atmosphere system. Physically based root water uptake (RWU) models that relate RWU to transpiration, root density, and water potential distributions have been developed but used or tested far less. This study aims at evaluating the simulated RWU of winter wheat using the empirical Feddes-Jarvis (FJ) model and the physically based Couvreur (C) model for different soil water conditions and soil textures compared to sap flow measurements. Soil water content (SWC), water potential, and root development were monitored noninvasively at six soil depths in two rhizotron facilities that were constructed in two soil textures: stony vs. silty, with each of three water treatments: sheltered, rainfed, and irrigated. Soil and root parameters of the two models were derived from inverse modeling and simulated RWU was compared with sap flow measurements for validation. The different soil types and water treatments resulted in different crop biomass, root densities, and root distributions with depth. The two models simulated the lowest RWU in the sheltered plot of the stony soil where RWU was also lower than the potential RWU. In the silty soil, simulated RWU was equal to the potential uptake for all treatments. The variation of simulated RWU among the different plots agreed well with measured sap flow but the C model predicted the ratios of the transpiration fluxes in the two soil types slightly better than the FJ model. The root hydraulic parameters of the C model could be constrained by the field data but not the water stress parameters of the FJ model. This was attributed to differences in root densities between the different soils and treatments which are accounted for by the C model, whereas the FJ model only considers normalized root densities. The impact of differences in root density on RWU could be accounted for directly by the physically based RWU model but not by empirical models that use normalized root density functions.

Identification of Thyroid Receptor Ant/Agonists in Water Sources Using Mass Balance Analysis and Monte Carlo Simulation

PubMed Central

Shi, Wei; Wei, Si; Hu, Xin-xin; Hu, Guan-jiu; Chen, Cu-lan; Wang, Xin-ru; Giesy, John P.; Yu, Hong-xia

2013-01-01

Some synthetic chemicals, which have been shown to disrupt thyroid hormone (TH) function, have been detected in surface waters and people have the potential to be exposed through water-drinking. Here, the presence of thyroid-active chemicals and their toxic potential in drinking water sources in Yangtze River Delta were investigated by use of instrumental analysis combined with cell-based reporter gene assay. A novel approach was developed to use Monte Carlo simulation, for evaluation of the potential risks of measured concentrations of TH agonists and antagonists and to determine the major contributors to observed thyroid receptor (TR) antagonist potency. None of the extracts exhibited TR agonist potency, while 12 of 14 water samples exhibited TR antagonistic potency. The most probable observed antagonist equivalents ranged from 1.4 to 5.6 µg di-n-butyl phthalate (DNBP)/L, which posed potential risk in water sources. Based on Monte Carlo simulation related mass balance analysis, DNBP accounted for 64.4% for the entire observed antagonist toxic unit in water sources, while diisobutyl phthalate (DIBP), di-n-octyl phthalate (DNOP) and di-2-ethylhexyl phthalate (DEHP) also contributed. The most probable observed equivalent and most probable relative potency (REP) derived from Monte Carlo simulation is useful for potency comparison and responsible chemicals screening. PMID:24204563

Proton transfer from water to ketyl radical anion: Assessment of critical size of hydrated cluster and free energy barrier in solution from first principles simulations

NASA Astrophysics Data System (ADS)

Biswas, Sohag; Dasgupta, Teesta; Mallik, Bhabani S.

2016-09-01

We present the reactivity of an organic intermediate by studying the proton transfer process from water to ketyl radical anion using gas phase electronic structure calculations and the metadynamics method based first principles molecular dynamics (FPMD) simulations. Our results indicate that during the micro solvation of anion by water molecules systematically, the presence of minimum three water molecules in the gas phase cluster is sufficient to observe the proton transfer event. The analysis of trajectories obtained from initial FPMD simulation of an aqueous solution of the anion does not show any evident of complete transfer of the proton from water. The cooperativity of water molecules and the relatively weak anion-water interaction in liquid state prohibit the full release of the proton. Using biasing potential through first principles metadynamics simulations, we report the observation of proton transfer reaction from water to ketyl radical anion with a barrier height of 16.0 kJ/mol.

Effects of Land-Use Changes and Ground-Water Withdrawals on Stream Base Flow, Pocono Creek Watershed, Monroe County, Pennsylvania

USGS Publications Warehouse

Sloto, Ronald A.

2008-01-01

The Pocono Creek watershed drains 46.5 square miles in eastern Monroe County, Pa. Between 2000 and 2020, the population of Monroe County is expected to increase by 70 percent, which will result in substantial changes in land-use patterns. An evaluation of the effect of reduced recharge from land-use changes and additional ground-water withdrawals on stream base flow was done by the U.S. Geological Survey (USGS) in cooperation with the U.S. Environmental Protection Agency (USEPA) and the Delaware River Basin Commission as part of the USEPA?s Framework for Sustainable Watershed Management Initiative. Two models were used. A Soil and Water Assessment Tool (SWAT) model developed by the USEPA provided areal recharge values for 2000 land use and projected full buildout land use. The USGS MODFLOW-2000 ground-water-flow model was used to estimate the effect of reduced recharge from changes in land use and additional ground-water withdrawals on stream base flow. This report describes the ground-water-flow-model simulations. The Pocono Creek watershed is underlain by sedimentary rock of Devonian age, which is overlain by a veneer of glacial deposits. All water-supply wells are cased into and derive water from the bedrock. In the ground-water-flow model, the surficial geologic units were grouped into six categories: (1) moraine deposits, (2) stratified drift, (3) lake deposits, (4) outwash, (5) swamp deposits, and (6) undifferentiated deposits. The unconsolidated surficial deposits are not used as a source of water. The ground-water and surface-water systems are well connected in the Pocono Creek watershed. Base flow measured on October 13, 2004, at 27 sites for model calibration showed that streams gained water between all sites measured except in the lower reach of Pocono Creek. The ground-water-flow model included the entire Pocono Creek watershed. Horizontally, the modeled area was divided into a 53 by 155 cell grid with 6,060 active cells. Vertically, the modeled area was discretized into four layers. Layers 1 and 2 represented the unconsolidated surficial deposits where they are present and bedrock where the surficial deposits are absent. Layer 3 represented shallow bedrock and was 200 ft (feet) thick. Layer 4 represented deep bedrock and was 300 ft thick. A total of 873 cells representing streams were assigned to layer 1. Recharge rates for model calibration were provided by the USEPA SWAT model for 2000 land-use conditions. Recharge rates for 2000 for the 29 subwatersheds in the SWAT model ranged from 6.11 to 22.66 inches per year. Because the ground-water-flow model was calibrated to base-flow data collected on October 13, 2004, the 2000 recharge rates were multiplied by 1.18 so the volume of recharge was equal to the volume of streamflow measured at the mouth of Pocono Creek. During model calibration, adjustments were made to aquifer hydraulic conductivity and streambed conductance. Simulated base flows and hydraulic heads were compared to measured base flows and hydraulic heads using the root mean squared error (RMSE) between measured and simulated values. The RMSE of the calibrated model for base flow was 4.7 cubic feet per second for 27 locations, and the RMSE for hydraulic heads for 15 locations was 35 ft. The USEPA SWAT model was used to provide areal recharge values for 2000 and full buildout land-use conditions. The change in recharge ranged from an increase of 37.8 percent to a decrease of 60.8 percent. The ground-water-flow model was used to simulate base flow for 2000 and full buildout land-use conditions using steady-state simulations. The decrease in simulated base flow ranged from 3.8 to 63 percent at the streamflow-measurement sites. Simulated base flow at streamflow-gaging station Pocono Creek above Wigwam Run near Stroudsburg, Pa. (01441495), decreased 25 percent. This is in general agreement with the SWAT model, which estimated a 30.6-percent loss in base flow at the streamflow-gaging station.

Water Balance in the Amazon Basin from a Land Surface Model Ensemble

NASA Technical Reports Server (NTRS)

Getirana, Augusto C. V.; Dutra, Emanuel; Guimberteau, Matthieu; Kam, Jonghun; Li, Hong-Yi; Decharme, Bertrand; Zhang, Zhengqiu; Ducharne, Agnes; Boone, Aaron; Balsamo, Gianpaolo;

Proline induced disruption of the structure and dynamics of water.

PubMed

Yu, Dehong; Hennig, Marcus; Mole, Richard A; Li, Ji Chen; Wheeler, Cheryl; Strässle, Thierry; Kearley, Gordon J

2013-12-21

We use quasi-elastic neutron scattering spectroscopy to study the diffusive motion of water molecules at ambient temperature as a function of the solute molar fraction of the amino acid, proline. We validate molecular dynamics simulations against experimental quasielastic neutron scattering data and then use the simulations to reveal, and understand, a strong dependence of the translational self-diffusion coefficient of water on the distance to the amino acid molecule. An analysis based on the juxtaposition of water molecules in the simulation shows that the rigidity of proline imposes itself on the local water structure, which disrupts the hydrogen-bond network of water leading to an increase in the mean lifetime of hydrogen bonds. The net effect is some distortion of the proline molecule and a slowing down of the water mobility.

Local order parameters for use in driving homogeneous ice nucleation with all-atom models of water

NASA Astrophysics Data System (ADS)

Reinhardt, Aleks; Doye, Jonathan P. K.; Noya, Eva G.; Vega, Carlos

2012-11-01

We present a local order parameter based on the standard Steinhardt-Ten Wolde approach that is capable both of tracking and of driving homogeneous ice nucleation in simulations of all-atom models of water. We demonstrate that it is capable of forcing the growth of ice nuclei in supercooled liquid water simulated using the TIP4P/2005 model using over-biassed umbrella sampling Monte Carlo simulations. However, even with such an order parameter, the dynamics of ice growth in deeply supercooled liquid water in all-atom models of water are shown to be very slow, and so the computation of free energy landscapes and nucleation rates remains extremely challenging.

Integrating Water Supply Constraints into Irrigated Agricultural Simulations of California

NASA Technical Reports Server (NTRS)

Winter, Jonathan M.; Young, Charles A.; Mehta, Vishal K.; Ruane, Alex C.; Azarderakhsh, Marzieh; Davitt, Aaron; McDonald, Kyle; Haden, Van R.; Rosenzweig, Cynthia E.

2017-01-01

Simulations of irrigated croplands generally lack key interactions between water demand from plants and water supply from irrigation systems. We coupled the Water Evaluation and Planning system (WEAP) and Decision Support System for Agrotechnology Transfer (DSSAT) to link regional water supplies and management with field-level water demand and crop growth. WEAP-DSSAT was deployed and evaluated over Yolo County in California for corn, rice, and wheat. WEAP-DSSAT is able to reproduce the results of DSSAT under well-watered conditions and reasonably simulate observed mean yields, but has difficulty capturing yield interannual variability. Constraining irrigation supply to surface water alone reduces yields for all three crops during the 1987-1992 drought. Corn yields are reduced proportionally with water allocation, rice yield reductions are more binary based on sufficient water for flooding, and wheat yields are least sensitive to irrigation constraints as winter wheat is grown during the wet season.

Climate change streamflow scenarios designed for critical period water resources planning studies

NASA Astrophysics Data System (ADS)

Hamlet, A. F.; Snover, A. K.; Lettenmaier, D. P.

2003-04-01

Long-range water planning in the United States is usually conducted by individual water management agencies using a critical period planning exercise based on a particular period of the observed streamflow record and a suite of internally-developed simulation tools representing the water system. In the context of planning for climate change, such an approach is flawed in that it assumes that the future climate will be like the historic record. Although more sophisticated planning methods will probably be required as time goes on, a short term strategy for incorporating climate uncertainty into long-range water planning as soon as possible is to create alternate inputs to existing planning methods that account for climate uncertainty as it affects both supply and demand. We describe a straight-forward technique for constructing streamflow scenarios based on the historic record that include the broad-based effects of changed regional climate simulated by several global climate models (GCMs). The streamflow scenarios are based on hydrologic simulations driven by historic climate data perturbed according to regional climate signals from four GCMs using the simple "delta" method. Further data processing then removes systematic hydrologic model bias using a quantile-based bias correction scheme, and lastly, the effects of random errors in the raw hydrologic simulations are removed. These techniques produce streamflow scenarios that are consistent in time and space with the historic streamflow record while incorporating fundamental changes in temperature and precipitation from the GCM scenarios. Planning model simulations based on these climate change streamflow scenarios can therefore be compared directly to planning model simulations based on the historic record of streamflows to help planners understand the potential impacts of climate uncertainty. The methods are currently being tested and refined in two large-scale planning exercises currently being conducted in the Pacific Northwest (PNW) region of the US, and the resulting streamflow scenarios will be made freely available on the internet for a large number of sites in the PNW to help defray the costs of including climate change information in other studies.

Carbon Nanotubes in Water: MD Simulations of Internal and External Flow, Self Organization

NASA Technical Reports Server (NTRS)

Jaffe, Richard L.; Halicioglu, Timur; Werder, Thomas; Walther, Jens; Koumoutsakos, Petros; Arnold, James (Technical Monitor)

2001-01-01

We have developed computational tools, based on particle codes, for molecular dynamics (MD) simulation of carbon nanotubes (CNT) in aqueous environments. The interaction of CNTs with water is envisioned as a prototype for the design of engineering nano-devices, such as artificial sterocillia and molecular biosensors. Large scale simulations involving thousands of water molecules are possible due to our efficient parallel MD code that takes long range electrostatic interactions into account. Since CNTs can be considered as rolled up sheets of graphite, we expect the CNT-water interaction to be similar to the interaction of graphite with water. However, there are fundamental differences between considering graphite and CNTs, since the curvature of CNTs affects their chemical activity and also since capillary effects play an important role for both dynamic and static behaviour of materials inside CNTs. In recent studies Gordillo and Marti described the hydrogen bond structure as well as time dependent properties of water confined in CNTs. We are presenting results from the development of force fields describing the interaction of CNTs and water based on ab-initio quantum mechanical calculations. Furthermore, our results include both water flows external to CNTs and the behaviour of water nanodroplets inside heated CNTs. In the first case (external flows) the hydrophobic behaviour of CNTs is quantified and we analyze structural properties of water in the vicinity of CNTs with diagnostics such as hydrogen bond distribution, water dipole orientation and radial distribution functions. The presence of water leads to attractive forces between CNTs as a result of their hydrophobicity. Through extensive simulations we quantify these attractive forces in terms of the number and separation of the CNT. Results of our simulations involving arrays of CNTs indicate that these exhibit a hydrophobic behaviour that leads to self-organising structures capable of trapping water clusters. In the second case (internal flows) we study the behaviour of water droplets confined inside CNTs. Constant temperature simulations allow us to capture structural properties such as the contact angles and density profiles of the equilibrated drops. By heating and subsequently cooling of the CNT, we are able to measure the evaporation and the condensation rate of the entrapped water.

MODFLOW-Based Coupled Surface Water Routing and Groundwater-Flow Simulation.

PubMed

Hughes, J D; Langevin, C D; White, J T

2015-01-01

In this paper, we present a flexible approach for simulating one- and two-dimensional routing of surface water using a numerical surface water routing (SWR) code implicitly coupled to the groundwater-flow process in MODFLOW. Surface water routing in SWR can be simulated using a diffusive-wave approximation of the Saint-Venant equations and/or a simplified level-pool approach. SWR can account for surface water flow controlled by backwater conditions caused by small water-surface gradients or surface water control structures. A number of typical surface water control structures, such as culverts, weirs, and gates, can be represented, and it is possible to implement operational rules to manage surface water stages and streamflow. The nonlinear system of surface water flow equations formulated in SWR is solved by using Newton methods and direct or iterative solvers. SWR was tested by simulating the (1) Lal axisymmetric overland flow, (2) V-catchment, and (3) modified Pinder-Sauer problems. Simulated results for these problems compare well with other published results and indicate that SWR provides accurate results for surface water-only and coupled surface water/groundwater problems. Results for an application of SWR and MODFLOW to the Snapper Creek area of Miami-Dade County, Florida, USA are also presented and demonstrate the value of coupled surface water and groundwater simulation in managed, low-relief coastal settings. Published 2014. This article is a U.S. Government work and is in the public domain in the USA.

TU-CD-207-01: Characterization of Breast Tissue Composition Using Spectral Mammography

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ding, H; Cho, H; Kumar, N

Purpose: To investigate the feasibility of characterizing the chemical composition of breast tissue, in terms of water and lipid, by using spectral mammography in simulation and postmortem studies. Methods: Analytical simulations were performed to obtain low- and high-energy signals of breast tissue based on previously reported water, lipid, and protein contents. Dual-energy decomposition was used to characterize the simulated breast tissue into water and lipid basis materials and the measured water density was compared to the known value. In experimental studies, postmortem breasts were imaged with a spectral mammography system based on a scanning multi-slit Si strip photon-counting detector. Low-more » and high-energy images were acquired simultaneously from a single exposure by sorting the recorded photons into the corresponding energy bins. Dual-energy material decomposition of the low- and high-energy images yielded individual pixel measurements of breast tissue composition in terms of water and lipid thicknesses. After imaging, each postmortem breast was chemically decomposed into water, lipid and protein. The water density calculated from chemical analysis was used as the reference gold standard. Correlation of the water density measurements between spectral mammography and chemical analysis was analyzed using linear regression. Results: Both simulation and postmortem studies showed good linear correlation between the decomposed water thickness using spectral mammography and chemical analysis. The slope of the linear fitting function in the simulation and postmortem studies were 1.15 and 1.21, respectively. Conclusion: The results indicate that breast tissue composition, in terms of water and lipid, can be accurately measured using spectral mammography. Quantitative breast tissue composition can potentially be used to stratify patients according to their breast cancer risk.« less

Orion Ground Test Article Water Impact Tests: Photogrammetric Evaluation of Impact Conditions

NASA Technical Reports Server (NTRS)

Vassilakos, Gregory J.; Mark, Stephen D.

2018-01-01

The Ground Test Article (GTA) is an early production version of the Orion Crew Module (CM). The structural design of the Orion CM is being developed based on LS-DYNA water landing simulations. As part of the process of confirming the accuracy of LS-DYNA water landing simulations, the GTA water impact test series was conducted at NASA Langley Research Center (LaRC) to gather data for comparison with simulations. The simulation of the GTA water impact tests requires the accurate determination of the impact conditions. To accomplish this, the GTA was outfitted with an array of photogrammetry targets. The photogrammetry system utilizes images from two cameras with a specialized tracking software to determine time histories for the 3-D coordinates of each target. The impact conditions can then be determined from the target location data.

Methods and tools to simulate the effect of economic instruments in complex water resources systems. Application to the Jucar river basin.

NASA Astrophysics Data System (ADS)

Lopez-Nicolas, Antonio; Pulido-Velazquez, Manuel

2014-05-01

The main challenge of the BLUEPRINT to safeguard Europe's water resources (EC, 2012) is to guarantee that enough good quality water is available for people's needs, the economy and the environment. In this sense, economic policy instruments such as water pricing policies and water markets can be applied to enhance efficient use of water. This paper presents a method based on hydro-economic tools to assess the effect of economic instruments on water resource systems. Hydro-economic models allow integrated analysis of water supply, demand and infrastructure operation at the river basin scale, by simultaneously combining engineering, hydrologic and economic aspects of water resources management. The method made use of the simulation and optimization hydroeconomic tools SIMGAMS and OPTIGAMS. The simulation tool SIMGAMS allocates water resources among the users according to priorities and operating rules, and evaluate economic scarcity costs of the system by using economic demand functions. The model's objective function is designed so that the system aims to meet the operational targets (ranked according to priorities) at each month while following the system operating rules. The optimization tool OPTIGAMS allocates water resources based on an economic efficiency criterion: maximize net benefits, or alternatively, minimizing the total water scarcity and operating cost of water use. SIMGAS allows to simulate incentive water pricing policies based on marginal resource opportunity costs (MROC; Pulido-Velazquez et al., 2013). Storage-dependent step pricing functions are derived from the time series of MROC values at a certain reservoir in the system. These water pricing policies are defined based on water availability in the system (scarcity pricing), so that when water storage is high, the MROC is low, while low storage (drought periods) will be associated to high MROC and therefore, high prices. We also illustrate the use of OPTIGAMS to simulate the effect of ideal water markets by economic optimization, without considering the potential effect of transaction costs. These methods and tools have been applied to the Jucar River basin (Spain). The results show the potential of economic instruments in setting incentives for a more efficient management of water resources systems. Acknowledgments: The study has been partially supported by the European Community 7th Framework Project (GENESIS project, n. 226536), SAWARES (Plan Nacional I+D+i 2008-2011, CGL2009-13238-C02-01 and C02-02), SCARCE (Consolider-Ingenio 2010 CSD2009-00065) of the Spanish Ministry of Economy and Competitiveness; and EC 7th Framework Project ENHANCE (n. 308438) Reference: Pulido-Velazquez, M., Alvarez-Mendiola, E., and Andreu, J., 2013. Design of Efficient Water Pricing Policies Integrating Basinwide Resource Opportunity Costs. J. Water Resour. Plann. Manage., 139(5): 583-592.

Vulnerability of Population and Transportation Infrastructure at the East Bank of Delaware Bay Due to Coastal Flooding in Sea-Level Rise Conditions

DTIC Science & Technology

2013-04-30

resulting impact on residents and transportation infrastructure. The three-dimensional coastal ocean model FVCOM coupled with a two-dimensional...shallow water model is used to simulate hydrodynamic flooding from coastal ocean water with fine-resolution meshes, and a topography-based hydrologic... ocean model FVCOM coupled with a two-dimensional shallow water model is used to simulate hydrodynamic flooding from coastal ocean water with fine

A process-based algorithm for simulating terraces in SWAT

USDA-ARS?s Scientific Manuscript database

Terraces in crop fields are one of the most important soil and water conservation measures that affect runoff and erosion processes in a watershed. In large hydrological programs such as the Soil and Water Assessment Tool (SWAT), terrace effects are simulated by adjusting the slope length and the US...

Integrating Growth Stage Deficit Irrigation into a Process Based Crop Model

NASA Technical Reports Server (NTRS)

Lopez, Jose R.; Winter, Jonathan M.; Elliott, Joshua; Ruane, Alex C.; Porter, Cheryl; Hoogenboom, Gerrit

2017-01-01

Current rates of agricultural water use are unsustainable in many regions, creating an urgent need to identify improved irrigation strategies for water limited areas. Crop models can be used to quantify plant water requirements, predict the impact of water shortages on yield, and calculate water productivity (WP) to link water availability and crop yields for economic analyses. Many simulations of crop growth and development, especially in regional and global assessments, rely on automatic irrigation algorithms to estimate irrigation dates and amounts. However, these algorithms are not well suited for water limited regions because they have simplistic irrigation rules, such as a single soil-moisture based threshold, and assume unlimited water. To address this constraint, a new modeling framework to simulate agricultural production in water limited areas was developed. The framework consists of a new automatic irrigation algorithm for the simulation of growth stage based deficit irrigation under limited seasonal water availability; and optimization of growth stage specific parameters. The new automatic irrigation algorithm was used to simulate maize and soybean in Gainesville, Florida, and first used to evaluate the sensitivity of maize and soybean simulations to irrigation at different growth stages and then to test the hypothesis that water productivity calculated using simplistic irrigation rules underestimates WP. In the first experiment, the effect of irrigating at specific growth stages on yield and irrigation water use efficiency (IWUE) in maize and soybean was evaluated. In the reproductive stages, IWUE tended to be higher than in the vegetative stages (e.g. IWUE was 18% higher than the well watered treatment when irrigating only during R3 in soybean), and when rainfall events were less frequent. In the second experiment, water productivity (WP) was significantly greater with optimized irrigation schedules compared to non-optimized irrigation schedules in water restricted scenarios. For example, the mean WP across 38 years of maize production was 1.1 kg/cu m for non-optimized irrigation schedules with 50 mm of seasonal available water and 2.1 kg/cu m optimized ion schedules, a 91% improvement in WP with optimized irrigation schedules. The framework described in this work could be used to estimate WP for regional to global assessments, as well as derive location specific irrigation guidance.

Analysis of factors influencing hydration site prediction based on molecular dynamics simulations.

PubMed

Yang, Ying; Hu, Bingjie; Lill, Markus A

2014-10-27

Water contributes significantly to the binding of small molecules to proteins in biochemical systems. Molecular dynamics (MD) simulation based programs such as WaterMap and WATsite have been used to probe the locations and thermodynamic properties of hydration sites at the surface or in the binding site of proteins generating important information for structure-based drug design. However, questions associated with the influence of the simulation protocol on hydration site analysis remain. In this study, we use WATsite to investigate the influence of factors such as simulation length and variations in initial protein conformations on hydration site prediction. We find that 4 ns MD simulation is appropriate to obtain a reliable prediction of the locations and thermodynamic properties of hydration sites. In addition, hydration site prediction can be largely affected by the initial protein conformations used for MD simulations. Here, we provide a first quantification of this effect and further indicate that similar conformations of binding site residues (RMSD < 0.5 Å) are required to obtain consistent hydration site predictions.

Simulation of groundwater flow and analysis of the effects of water-management options in the North Platte Natural Resources District, Nebraska

USGS Publications Warehouse

Peterson, Steven M.; Flynn, Amanda T.; Vrabel, Joseph; Ryter, Derek W.

2015-08-12

The calibrated groundwater-flow model was used with the Groundwater-Management Process for the 2005 version of the U.S. Geological Survey modular three-dimensional groundwater model, MODFLOW–2005, to provide a tool for the NPNRD to better understand how water-management decisions could affect stream base flows of the North Platte River at Bridgeport, Nebr., streamgage in a future period from 2008 to 2019 under varying climatic conditions. The simulation-optimization model was constructed to analyze the maximum increase in simulated stream base flow that could be obtained with the minimum amount of reductions in groundwater withdrawals for irrigation. A second analysis extended the first to analyze the simulated base-flow benefit of groundwater withdrawals along with application of intentional recharge, that is, water from canals being released into rangeland areas with sandy soils. With optimized groundwater withdrawals and intentional recharge, the maximum simulated stream base flow was 15–23 cubic feet per second (ft3/s) greater than with no management at all, or 10–15 ft3/s larger than with managed groundwater withdrawals only. These results indicate not only the amount that simulated stream base flow can be increased by these management options, but also the locations where the management options provide the most or least benefit to the simulated stream base flow. For the analyses in this report, simulated base flow was best optimized by reductions in groundwater withdrawals north of the North Platte River and in the western half of the area. Intentional recharge sites selected by the optimization had a complex distribution but were more likely to be closer to the North Platte River or its tributaries. Future users of the simulation-optimization model will be able to modify the input files as to type, location, and timing of constraints, decision variables of groundwater withdrawals by zone, and other variables to explore other feasible management scenarios that may yield different increases in simulated future base flow of the North Platte River.

Water Inrush Analysis of the Longmen Mountain Tunnel Based on a 3D Simulation of the Discrete Fracture Network

NASA Astrophysics Data System (ADS)

Xiong, Ziming; Wang, Mingyang; Shi, ShaoShuai; Xia, YuanPu; Lu, Hao; Bu, Lin

2017-12-01

The construction of tunnels and underground engineering in China has developed rapidly in recent years in both the number and the length of tunnels. However, with the development of tunnel construction technology, risk assessment of the tunnels has become increasingly important. Water inrush is one of the most important causes of engineering accidents worldwide, resulting in considerable economic and environmental losses. Accordingly, water inrush prediction is important for ensuring the safety of tunnel construction. Therefore, in this study, we constructed a three-dimensional discrete network fracture model using the Monte Carlo method first with the basic data from the engineering geological map of the Longmen Mountain area, the location of the Longmen Mountain tunnel. Subsequently, we transformed the discrete fracture networks into a pipe network model. Next, the DEM of the study area was analysed and a submerged analysis was conducted to determine the water storage area. Finally, we attempted to predict the water inrush along the Longmen Mountain tunnel based on the Darcy flow equation. Based on the contrast of water inrush between the proposed approach, groundwater dynamics and precipitation infiltration method, we conclude the following: the water inflow determined using the groundwater dynamics simulation results are basically consistent with those in the D2K91+020 to D2K110+150 mileage. Specifically, in the D2K91+020 to D2K94+060, D2K96+440 to D2K98+100 and other sections of the tunnel, the simulated and measured results are in close agreement and show that this method is effective. In general, we can predict the water inflow in the area of the Longmen Mountain tunnel based on the existing fracture joint parameters and the hydrogeological data of the Longmen Mountain area, providing a water inrush simulation and guiding the tunnel excavation and construction stages.

Exploring Tradeoffs in Demand-side and Supply-side Management of Urban Water Resources using Agent-based Modeling and Evolutionary Computation

NASA Astrophysics Data System (ADS)

Kanta, L.; Berglund, E. Z.

2015-12-01

Urban water supply systems may be managed through supply-side and demand-side strategies, which focus on water source expansion and demand reductions, respectively. Supply-side strategies bear infrastructure and energy costs, while demand-side strategies bear costs of implementation and inconvenience to consumers. To evaluate the performance of demand-side strategies, the participation and water use adaptations of consumers should be simulated. In this study, a Complex Adaptive Systems (CAS) framework is developed to simulate consumer agents that change their consumption to affect the withdrawal from the water supply system, which, in turn influences operational policies and long-term resource planning. Agent-based models are encoded to represent consumers and a policy maker agent and are coupled with water resources system simulation models. The CAS framework is coupled with an evolutionary computation-based multi-objective methodology to explore tradeoffs in cost, inconvenience to consumers, and environmental impacts for both supply-side and demand-side strategies. Decisions are identified to specify storage levels in a reservoir that trigger (1) increases in the volume of water pumped through inter-basin transfers from an external reservoir and (2) drought stages, which restrict the volume of water that is allowed for residential outdoor uses. The proposed methodology is demonstrated for Arlington, Texas, water supply system to identify non-dominated strategies for an historic drought decade. Results demonstrate that pumping costs associated with maximizing environmental reliability exceed pumping costs associated with minimizing restrictions on consumer water use.

Gypsies in the palace: Experimentalist's view on the use of 3-D physics-based simulation of hillslope hydrological response

USGS Publications Warehouse

James, A.L.; McDonnell, Jeffery J.; Tromp-Van Meerveld, I.; Peters, N.E.

2010-01-01

As a fundamental unit of the landscape, hillslopes are studied for their retention and release of water and nutrients across a wide range of ecosystems. The understanding of these near-surface processes is relevant to issues of runoff generation, groundwater-surface water interactions, catchment export of nutrients, dissolved organic carbon, contaminants (e.g. mercury) and ultimately surface water health. We develop a 3-D physics-based representation of the Panola Mountain Research Watershed experimental hillslope using the TOUGH2 sub-surface flow and transport simulator. A recent investigation of sub-surface flow within this experimental hillslope has generated important knowledge of threshold rainfall-runoff response and its relation to patterns of transient water table development. This work has identified components of the 3-D sub-surface, such as bedrock topography, that contribute to changing connectivity in saturated zones and the generation of sub-surface stormflow. Here, we test the ability of a 3-D hillslope model (both calibrated and uncalibrated) to simulate forested hillslope rainfall-runoff response and internal transient sub-surface stormflow dynamics. We also provide a transparent illustration of physics-based model development, issues of parameterization, examples of model rejection and usefulness of data types (e.g. runoff, mean soil moisture and transient water table depth) to the model enterprise. Our simulations show the inability of an uncalibrated model based on laboratory and field characterization of soil properties and topography to successfully simulate the integrated hydrological response or the distributed water table within the soil profile. Although not an uncommon result, the failure of the field-based characterized model to represent system behaviour is an important challenge that continues to vex scientists at many scales. We focus our attention particularly on examining the influence of bedrock permeability, soil anisotropy and drainable porosity on the development of patterns of transient groundwater and sub-surface flow. Internal dynamics of transient water table development prove to be essential in determining appropriate model parameterization. ?? 2010 John Wiley & Sons, Ltd.

Simulation of ground-water flow in the Mojave River basin, California

USGS Publications Warehouse

Stamos, Christina L.; Martin, Peter; Nishikawa, Tracy; Cox, Brett F.

2001-01-01

The proximity of the Mojave River ground-water basin to the highly urbanized Los Angeles region has led to rapid growth in population and, consequently, to an increase in the demand for water. The Mojave River, the primary source of surface water for the region, normally is dry-except for a small stretch of perennial flow and periods of flow after intense storms. Thus, the region relies almost entirely on ground water to meet its agricultural and municipal needs. Ground-water withdrawal since the late 1800's has resulted in discharge, primarily from pumping wells, that exceeds natural recharge. To better understand the relation between the regional and the floodplain aquifer systems and to develop a management tool that could be used to estimate the effects that future stresses may have on the ground-water system, a numerical ground-water flow model of the Mojave River ground-water basin was developed, in part, on the basis of a previously developed analog model. The ground-water flow model has two horizontal layers; the top layer (layer 1) corresponds to the floodplain aquifer and the bottom layer (layer 2) corresponds to the regional aquifer. There are 161 rows and 200 columns with a horizontal grid spacing of 2,000 by 2,000 feet. Two stress periods (wet and dry) per year are used where the duration of each stress period is a function of the occurrence, quantity of discharge, and length of stormflow from the headwaters each year. A steady-state model provided initial conditions for the transient-state simulation. The model was calibrated to transient-state conditions (1931-94) using a trial-and-error approach. The transient-state simulation results are in good agreement with measured data. Under transient-state conditions, the simulated floodplain aquifer and regional aquifer hydrographs matched the general trends observed for the measured water levels. The simulated streamflow hydrographs matched wet stress period average flow rates and times of no flow at the Barstow and Afton Canyon gages. Steady-state particle-tracking was used to estimate travel times for mountain-front and streamflow recharge. The simulated travel times for mountain-front recharge to reach the area west of Victorville were about 5,000 to 6,000 years; this result is in reasonable agreement with published results. Steady-state particle-tracking results for streamflow recharge indicate that in most subareas along the river, the particles quickly leave and reenter the river. The complaint that resulted in the adjudication of the Mojave River ground-water basin alleged that the cumulative water production upstream of the city of Barstow had overdrafted the ground-water basin. In order to ascertain the effect of pumping on ground-water and surface-water relations along the Mojave River, two pumping simulations were compared with the 1931-90 transient-state simulation (base case). The first simulation assumed 1931-90 pumping in the upper region (Este, Oeste, Alto, and Transition zone model subareas) but with no pumping in the remainder of the basin, and the second assumed 1931-90 pumping in the lower region (Centro, Harper Lake, Baja, Coyote Lake, and Afton Canyon model subareas) but with no pumping in remainder of the basin. In the upper region, assuming pumping only in the upper region, there was no change in storage, recharge from the Mojave River, ground-water discharge to the Mojave River, or evapotranspiration when compared with the base case. In the lower region, assuming pumping only in the upper region, there was storage accretion, decreased recharge from the Mojave River, increased ground-water discharge to the Mojave River, and increased evapotranspiration when compared with the base case. In the upper region, assuming pumping only in the lower region, there was storage accretion, decreased recharge from the Mojave River, increased ground-water discharge to the Mojave River, and increased evapotranspiration when compared with the base case. In the

Structure and dynamics of aqueous solutions from PBE-based first-principles molecular dynamics simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pham, Tuan Anh; Ogitsu, Tadashi; Lau, Edmond Y.

Establishing an accurate and predictive computational framework for the description of complex aqueous solutions is an ongoing challenge for density functional theory based first-principles molecular dynamics (FPMD) simulations. In this context, important advances have been made in recent years, including the development of sophisticated exchange-correlation functionals. On the other hand, simulations based on simple generalized gradient approximation (GGA) functionals remain an active field, particularly in the study of complex aqueous solutions due to a good balance between the accuracy, computational expense, and the applicability to a wide range of systems. In such simulations we often perform them at elevated temperaturesmore » to artificially “correct” for GGA inaccuracies in the description of liquid water; however, a detailed understanding of how the choice of temperature affects the structure and dynamics of other components, such as solvated ions, is largely unknown. In order to address this question, we carried out a series of FPMD simulations at temperatures ranging from 300 to 460 K for liquid water and three representative aqueous solutions containing solvated Na +, K +, and Cl - ions. We show that simulations at 390–400 K with the Perdew-Burke-Ernzerhof (PBE) exchange-correlation functional yield water structure and dynamics in good agreement with experiments at ambient conditions. Simultaneously, this computational setup provides ion solvation structures and ion effects on water dynamics consistent with experiments. These results suggest that an elevated temperature around 390–400 K with the PBE functional can be used for the description of structural and dynamical properties of liquid water and complex solutions with solvated ions at ambient conditions.« less

Structure and dynamics of aqueous solutions from PBE-based first-principles molecular dynamics simulations

DOE PAGES

Pham, Tuan Anh; Ogitsu, Tadashi; Lau, Edmond Y.; ...

2016-10-17

Establishing an accurate and predictive computational framework for the description of complex aqueous solutions is an ongoing challenge for density functional theory based first-principles molecular dynamics (FPMD) simulations. In this context, important advances have been made in recent years, including the development of sophisticated exchange-correlation functionals. On the other hand, simulations based on simple generalized gradient approximation (GGA) functionals remain an active field, particularly in the study of complex aqueous solutions due to a good balance between the accuracy, computational expense, and the applicability to a wide range of systems. In such simulations we often perform them at elevated temperaturesmore » to artificially “correct” for GGA inaccuracies in the description of liquid water; however, a detailed understanding of how the choice of temperature affects the structure and dynamics of other components, such as solvated ions, is largely unknown. In order to address this question, we carried out a series of FPMD simulations at temperatures ranging from 300 to 460 K for liquid water and three representative aqueous solutions containing solvated Na +, K +, and Cl - ions. We show that simulations at 390–400 K with the Perdew-Burke-Ernzerhof (PBE) exchange-correlation functional yield water structure and dynamics in good agreement with experiments at ambient conditions. Simultaneously, this computational setup provides ion solvation structures and ion effects on water dynamics consistent with experiments. These results suggest that an elevated temperature around 390–400 K with the PBE functional can be used for the description of structural and dynamical properties of liquid water and complex solutions with solvated ions at ambient conditions.« less

MCNPX simulation of proton dose distribution in homogeneous and CT phantoms

NASA Astrophysics Data System (ADS)

Lee, C. C.; Lee, Y. J.; Tung, C. J.; Cheng, H. W.; Chao, T. C.

2014-02-01

A dose simulation system was constructed based on the MCNPX Monte Carlo package to simulate proton dose distribution in homogeneous and CT phantoms. Conversion from Hounsfield unit of a patient CT image set to material information necessary for Monte Carlo simulation is based on Schneider's approach. In order to validate this simulation system, inter-comparison of depth dose distributions among those obtained from the MCNPX, GEANT4 and FLUKA codes for a 160 MeV monoenergetic proton beam incident normally on the surface of a homogeneous water phantom was performed. For dose validation within the CT phantom, direct comparison with measurement is infeasible. Instead, this study took the approach to indirectly compare the 50% ranges (R50%) along the central axis by our system to the NIST CSDA ranges for beams with 160 and 115 MeV energies. Comparison result within the homogeneous phantom shows good agreement. Differences of simulated R50% among the three codes are less than 1 mm. For results within the CT phantom, the MCNPX simulated water equivalent Req,50% are compatible with the CSDA water equivalent ranges from the NIST database with differences of 0.7 and 4.1 mm for 160 and 115 MeV beams, respectively.

Forecasting the Water Demand in Chongqing, China Using a Grey Prediction Model and Recommendations for the Sustainable Development of Urban Water Consumption.

PubMed

Wu, Hua'an; Zeng, Bo; Zhou, Meng

2017-11-15

High accuracy in water demand predictions is an important basis for the rational allocation of city water resources and forms the basis for sustainable urban development. The shortage of water resources in Chongqing, the youngest central municipality in Southwest China, has significantly increased with the population growth and rapid economic development. In this paper, a new grey water-forecasting model (GWFM) was built based on the data characteristics of water consumption. The parameter estimation and error checking methods of the GWFM model were investigated. Then, the GWFM model was employed to simulate the water demands of Chongqing from 2009 to 2015 and forecast it in 2016. The simulation and prediction errors of the GWFM model was checked, and the results show the GWFM model exhibits better simulation and prediction precisions than those of the classical Grey Model with one variable and single order equation GM(1,1) for short and the frequently-used Discrete Grey Model with one variable and single order equation, DGM(1,1) for short. Finally, the water demand in Chongqing from 2017 to 2022 was forecasted, and some corresponding control measures and recommendations were provided based on the prediction results to ensure a viable water supply and promote the sustainable development of the Chongqing economy.

Improving SWAT for simulating water and carbon fluxes of forest ecosystems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Qichun; Zhang, Xuesong

2016-11-01

As a widely used watershed model for assessing impacts of anthropogenic and natural disturbances on water quantity and quality, the Soil and Water Assessment Tool (SWAT) has not been extensively tested in simulating water and carbon fluxes of forest ecosystems. Here, we examine SWAT simulations of evapotranspiration (ET), net primary productivity (NPP), net ecosystem exchange (NEE), and plant biomass at ten AmeriFlux forest sites across the U.S. We identify unrealistic radiation use efficiency (Bio_E), large leaf to biomass fraction (Bio_LEAF), and missing phosphorus supply from parent material weathering as the primary causes for the inadequate performance of the default SWATmore » model in simulating forest dynamics. By further revising the relevant parameters and processes, SWAT’s performance is substantially improved. Based on the comparison between the improved SWAT simulations and flux tower observations, we discuss future research directions for further enhancing model parameterization and representation of water and carbon cycling for forests.« less

Impact of variable river water stage on the simulation of groundwater-river interactions over the Upper Rhine Graben hydrosystem

NASA Astrophysics Data System (ADS)

Habets, F.; Vergnes, J.

2013-12-01

The Upper Rhine alluvial aquifer is an important transboundary water resource which is particularly vulnerable to pollution from the rivers due to anthropogenic activities. A realistic simulation of the groundwater-river exchanges is therefore of crucial importance for effective management of water resources, and hence is the main topic of the NAPROM project financed by the French Ministry of Ecology. Characterization of these fluxes in term of quantity and spatio-temporal variability depends on the choice made to represent the river water stage in the model. Recently, a couple surface-subsurface model has been applied to the whole aquifer basin. The river stage was first chosen to be constant over the major part of the basin for the computation of the groundwater-river interactions. The present study aims to introduce a variable river water stage to better simulate these interactions and to quantify the impact of this process over the simulated hydrological variables. The general modeling strategy is based on the Eau-Dyssée modeling platform which couples existing specialized models to address water resources and quality in regional scale river basins. In this study, Eau-Dyssée includes the RAPID river routing model and the SAM hydrogeological model. The input data consist in runoff and infiltration coming from a simulation of the ISBA land surface scheme covering the 1986-2003 period. The QtoZ module allows to calculate river stage from simulated river discharges, which is then used to calculate the exchanges between aquifer units and river. Two approaches are compared. The first one uses rating curves derived from observed river discharges and river stages. The second one is based on the Manning's formula. Manning's parameters are defined with geomorphological parametrizations and topographic data based on Digital Elevation Model (DEM). First results show a relatively good agreement between observed and simulated river water height. Taking into account a variable river stage seems to increase the amount of water exchanged between groundwater and river. Systematic biases are nevertheless found between simulated and observed mean river stage elevation. They show that the primary source of errors when simulating river stage - and hence groundwater-river interactions - is the uncertainties associated with the topographic data used to define the riverbed elevation. Thus, this study confirms the need to access to more accurate DEM for estimating riverbed elevation and studying groundwater-river interactions, at least at regional scale.

Validation of pore network simulations of ex-situ water distributions in a gas diffusion layer of proton exchange membrane fuel cells with X-ray tomographic images

NASA Astrophysics Data System (ADS)

Agaesse, Tristan; Lamibrac, Adrien; Büchi, Felix N.; Pauchet, Joel; Prat, Marc

2016-11-01

Understanding and modeling two-phase flows in the gas diffusion layer (GDL) of proton exchange membrane fuel cells are important in order to improve fuel cells performance. They are scientifically challenging because of the peculiarities of GDLs microstructures. In the present work, simulations on a pore network model are compared to X-ray tomographic images of water distributions during an ex-situ water invasion experiment. A method based on watershed segmentation was developed to extract a pore network from the 3D segmented image of the dry GDL. Pore network modeling and a full morphology model were then used to perform two-phase simulations and compared to the experimental data. The results show good agreement between experimental and simulated microscopic water distributions. Pore network extraction parameters were also benchmarked using the experimental data and results from full morphology simulations.

A Model Based Mars Climate Database for the Mission Design

NASA Technical Reports Server (NTRS)

2005-01-01

A viewgraph presentation on a model based climate database is shown. The topics include: 1) Why a model based climate database?; 2) Mars Climate Database v3.1 Who uses it ? (approx. 60 users!); 3) The new Mars Climate database MCD v4.0; 4) MCD v4.0: what's new ? 5) Simulation of Water ice clouds; 6) Simulation of Water ice cycle; 7) A new tool for surface pressure prediction; 8) Acces to the database MCD 4.0; 9) How to access the database; and 10) New web access

Zero-point energy effects in anion solvation shells.

PubMed

Habershon, Scott

2014-05-21

By comparing classical and quantum-mechanical (path-integral-based) molecular simulations of solvated halide anions X(-) [X = F, Cl, Br and I], we identify an ion-specific quantum contribution to anion-water hydrogen-bond dynamics; this effect has not been identified in previous simulation studies. For anions such as fluoride, which strongly bind water molecules in the first solvation shell, quantum simulations exhibit hydrogen-bond dynamics nearly 40% faster than the corresponding classical results, whereas those anions which form a weakly bound solvation shell, such as iodide, exhibit a quantum effect of around 10%. This observation can be rationalized by considering the different zero-point energy (ZPE) of the water vibrational modes in the first solvation shell; for strongly binding anions, the ZPE of bound water molecules is larger, giving rise to faster dynamics in quantum simulations. These results are consistent with experimental investigations of anion-bound water vibrational and reorientational motion.

Water quality modeling in the dead end sections of drinking water distribution networks.

PubMed

Abokifa, Ahmed A; Yang, Y Jeffrey; Lo, Cynthia S; Biswas, Pratim

2016-02-01

Dead-end sections of drinking water distribution networks are known to be problematic zones in terms of water quality degradation. Extended residence time due to water stagnation leads to rapid reduction of disinfectant residuals allowing the regrowth of microbial pathogens. Water quality models developed so far apply spatial aggregation and temporal averaging techniques for hydraulic parameters by assigning hourly averaged water demands to the main nodes of the network. Although this practice has generally resulted in minimal loss of accuracy for the predicted disinfectant concentrations in main water transmission lines, this is not the case for the peripheries of the distribution network. This study proposes a new approach for simulating disinfectant residuals in dead end pipes while accounting for both spatial and temporal variability in hydraulic and transport parameters. A stochastic demand generator was developed to represent residential water pulses based on a non-homogenous Poisson process. Dispersive solute transport was considered using highly dynamic dispersion rates. A genetic algorithm was used to calibrate the axial hydraulic profile of the dead-end pipe based on the different demand shares of the withdrawal nodes. A parametric sensitivity analysis was done to assess the model performance under variation of different simulation parameters. A group of Monte-Carlo ensembles was carried out to investigate the influence of spatial and temporal variations in flow demands on the simulation accuracy. A set of three correction factors were analytically derived to adjust residence time, dispersion rate and wall demand to overcome simulation error caused by spatial aggregation approximation. The current model results show better agreement with field-measured concentrations of conservative fluoride tracer and free chlorine disinfectant than the simulations of recent advection dispersion reaction models published in the literature. Accuracy of the simulated concentration profiles showed significant dependence on the spatial distribution of the flow demands compared to temporal variation. Copyright © 2015 Elsevier Ltd. All rights reserved.

Simulation-based investigation of the generality of Lyzenga's multispectral bathymetry formula in Case-1 coral reef water

NASA Astrophysics Data System (ADS)

Manessa, Masita Dwi Mandini; Kanno, Ariyo; Sagawa, Tatsuyuki; Sekine, Masahiko; Nurdin, Nurjannah

2018-01-01

Lyzenga's multispectral bathymetry formula has attracted considerable interest due to its simplicity. However, there has been little discussion of the effect that variation in optical conditions and bottom types-which commonly appears in coral reef environments-has on this formula's results. The present paper evaluates Lyzenga's multispectral bathymetry formula for a variety of optical conditions and bottom types. A noiseless dataset of above-water remote sensing reflectance from WorldView-2 images over Case-1 shallow coral reef water is simulated using a radiative transfer model. The simulation-based assessment shows that Lyzenga's formula performs robustly, with adequate generality and good accuracy, under a range of conditions. As expected, the influence of bottom type on depth estimation accuracy is far greater than the influence of other optical parameters, i.e., chlorophyll-a concentration and solar zenith angle. Further, based on the simulation dataset, Lyzenga's formula estimates depth when the bottom type is unknown almost as accurately as when the bottom type is known. This study provides a better understanding of Lyzenga's multispectral bathymetry formula under various optical conditions and bottom types.

Development and application of a comprehensive simulation model to evaluate impacts of watershed structures and irrigation water use on streamflow and groundwater: The case of Wet Walnut Creek Watershed, Kansas, USA

USGS Publications Warehouse

Ramireddygari, S.R.; Sophocleous, M.A.; Koelliker, J.K.; Perkins, S.P.; Govindaraju, R.S.

2000-01-01

This paper presents the results of a comprehensive modeling study of surface and groundwater systems, including stream-aquifer interactions, for the Wet Walnut Creek Watershed in west-central Kansas. The main objective of this study was to assess the impacts of watershed structures and irrigation water use on streamflow and groundwater levels, which in turn affect availability of water for the Cheyenne Bottoms Wildlife Refuge Management area. The surface-water flow model, POTYLDR, and the groundwater flow model, MODFLOW, were combined into an integrated, watershed-scale, continuous simulation model. Major revisions and enhancements were made to the POTYLDR and MODFLOW models for simulating the detailed hydrologic budget for the Wet Walnut Creek Watershed. The computer simulation model was calibrated and verified using historical streamflow records (at Albert and Nekoma gaging stations), reported irrigation water use, observed water-level elevations in watershed structure pools, and groundwater levels in the alluvial aquifer system. To assess the impact of watershed structures and irrigation water use on streamflow and groundwater levels, a number of hypothetical management scenarios were simulated under various operational criteria for watershed structures and different annual limits on water use for irrigation. A standard 'base case' was defined to allow comparative analysis of the results of different scenarios. The simulated streamflows showed that watershed structures decrease both streamflows and groundwater levels in the watershed. The amount of water used for irrigation has a substantial effect on the total simulated streamflow and groundwater levels, indicating that irrigation is a major budget item for managing water resources in the watershed. (C) 2000 Elsevier Science B.V.This paper presents the results of a comprehensive modeling study of surface and groundwater systems, including stream-aquifer interactions, for the Wet Walnut Creek Watershed in west-central Kansas. The main objective of this study was to assess the impacts of watershed structures and irrigation water use on streamflow and groundwater levels, which in turn affect availability of water for the Cheyenne Bottoms Wildlife Refuge Management area. The surface-water flow model, POTYLDR, and the groundwater flow model, MODFLOW, were combined into an integrated, watershed-scale, continuous simulation model. Major revisions and enhancements were made to the POTYLDR and MODFLOW models for simulating the detailed hydrologic budget for the Wet Walnut Creek Watershed. The computer simulation model was calibrated and verified using historical streamflow records (at Albert and Nekoma gaging stations), reported irrigation water use, observed water-level elevations in watershed structure pools, and groundwater levels in the alluvial aquifer system. To assess the impact of watershed structures and irrigation water use on streamflow and groundwater levels, a number of hypothetical management scenarios were simulated under various operational criteria for watershed structures and different annual limits on water use for irrigation. A standard `base case' was defined to allow comparative analysis of the results of different scenarios. The simulated streamflows showed that watershed structures decrease both streamflows and groundwater levels in the watershed. The amount of water used for irrigation has a substantial effect on the total simulated streamflow and groundwater levels, indicating that irrigation is a major budget item for managing water resources in the watershed.A comprehensive simulation model that combines the surface water flow model POTYLDR and the groundwater flow model MODFLOW was used to study the impacts of watershed structures (e.g., dams) and irrigation water use (including stream-aquifer interactions) on streamflow and groundwater. The model was revised, enhanced, calibrated, and verified, then applied to evaluate the hydrologic budget for Wet Wal

Molecular simulation of water removal from simple gases with zeolite NaA.

PubMed

Csányi, Eva; Ható, Zoltán; Kristóf, Tamás

2012-06-01

Water vapor removal from some simple gases using zeolite NaA was studied by molecular simulation. The equilibrium adsorption properties of H(2)O, CO, H(2), CH(4) and their mixtures in dehydrated zeolite NaA were computed by grand canonical Monte Carlo simulations. The simulations employed Lennard-Jones + Coulomb type effective pair potential models, which are suitable for the reproduction of thermodynamic properties of pure substances. Based on the comparison of the simulation results with experimental data for single-component adsorption at different temperatures and pressures, a modified interaction potential model for the zeolite is proposed. In the adsorption simulations with mixtures presented here, zeolite exhibits extremely high selectivity of water to the investigated weakly polar/non-polar gases demonstrating the excellent dehydration ability of zeolite NaA in engineering applications.

GSFLOW - Coupled Ground-Water and Surface-Water Flow Model Based on the Integration of the Precipitation-Runoff Modeling System (PRMS) and the Modular Ground-Water Flow Model (MODFLOW-2005)

USGS Publications Warehouse

Markstrom, Steven L.; Niswonger, Richard G.; Regan, R. Steven; Prudic, David E.; Barlow, Paul M.

2008-01-01

The need to assess the effects of variability in climate, biota, geology, and human activities on water availability and flow requires the development of models that couple two or more components of the hydrologic cycle. An integrated hydrologic model called GSFLOW (Ground-water and Surface-water FLOW) was developed to simulate coupled ground-water and surface-water resources. The new model is based on the integration of the U.S. Geological Survey Precipitation-Runoff Modeling System (PRMS) and the U.S. Geological Survey Modular Ground-Water Flow Model (MODFLOW). Additional model components were developed, and existing components were modified, to facilitate integration of the models. Methods were developed to route flow among the PRMS Hydrologic Response Units (HRUs) and between the HRUs and the MODFLOW finite-difference cells. This report describes the organization, concepts, design, and mathematical formulation of all GSFLOW model components. An important aspect of the integrated model design is its ability to conserve water mass and to provide comprehensive water budgets for a location of interest. This report includes descriptions of how water budgets are calculated for the integrated model and for individual model components. GSFLOW provides a robust modeling system for simulating flow through the hydrologic cycle, while allowing for future enhancements to incorporate other simulation techniques.

Structural and water diffusion of poly(acryl amide)/poly(vinyl alcohol) blend films: Experiment and molecular dynamics simulations.

PubMed

Wang, Yanen; Wei, Qinghua; Wang, Shuzhi; Chai, Weihong; Zhang, Yingfeng

2017-01-01

To study the effects of composition ratios and temperature on the diffusion of water molecules in PVA/PAM blend films, five simulation models of PVA/PAM with ten water molecules at different composition ratios (4/0, 3/1, 2/2, 1/3, 0/4) were constructed and simulated by using a molecular dynamics (MD) simulation. The diffusion behavior of water molecules in blends were investigated from the aspects of the diffusion coefficient, free volume, pair correlation function (PCF) and trajectories of water molecules, respectively. And the hydrophilicity of blend composite was studied based on the contact angle and equilibrium water content (EWC) of the blend films. The simulation results show that the diffusion coefficient of water molecules and fractional free volume (FFV) of blend membranes increase with the addition of PAM, and a higher temperature can also improve the diffusion of water molecules. Additionally, the analysis of PCFs reveals the main reason why the diffusion coefficient of water in blend system increases with the addition of PAM. The measurement results of contact angle and EWC of blend films indicate that the hydrophilicity of blend films decreases with the addition of PAM, but the EWC of blends increases with the addition of PAM. Copyright © 2016 Elsevier Inc. All rights reserved.

Phase II modification of the Water Availability Tool for Environmental Resources (WATER) for Kentucky: The sinkhole-drainage process, point-and-click basin delineation, and results of karst test-basin simulations

USGS Publications Warehouse

Taylor, Charles J.; Williamson, Tanja N.; Newson, Jeremy K.; Ulery, Randy L.; Nelson, Hugh L.; Cinotto, Peter J.

2012-01-01

This report describes Phase II modifications made to the Water Availability Tool for Environmental Resources (WATER), which applies the process-based TOPMODEL approach to simulate or predict stream discharge in surface basins in the Commonwealth of Kentucky. The previous (Phase I) version of WATER did not provide a means of identifying sinkhole catchments or accounting for the effects of karst (internal) drainage in a TOPMODEL-simulated basin. In the Phase II version of WATER, sinkhole catchments are automatically identified and delineated as internally drained subbasins, and a modified TOPMODEL approach (called the sinkhole drainage process, or SDP-TOPMODEL) is applied that calculates mean daily discharges for the basin based on summed area-weighted contributions from sinkhole drain-age (SD) areas and non-karstic topographically drained (TD) areas. Results obtained using the SDP-TOPMODEL approach were evaluated for 12 karst test basins located in each of the major karst terrains in Kentucky. Visual comparison of simulated hydrographs and flow-duration curves, along with statistical measures applied to the simulated discharge data (bias, correlation, root mean square error, and Nash-Sutcliffe efficiency coefficients), indicate that the SDPOPMODEL approach provides acceptably accurate estimates of discharge for most flow conditions and typically provides more accurate simulation of stream discharge in karstic basins compared to the standard TOPMODEL approach. Additional programming modifications made to the Phase II version of WATER included implementation of a point-and-click graphical user interface (GUI), which fully automates the delineation of simulation-basin boundaries and improves the speed of input-data processing. The Phase II version of WATER enables the user to select a pour point anywhere on a stream reach of interest, and the program will automatically delineate all upstream areas that contribute drainage to that point. This capability enables automatic delineation of a simulation basin of any size (area) and having any level of stream-network complexity. WATER then automatically identifies the presence of sinkholes catchments within the simulation basin boundaries; extracts and compiles the necessary climatic, topographic, and basin characteristics datasets; and runs the SDP-TOPMODEL approach to estimate daily mean discharges (streamflow).

Development of a Polarizable Force Field for Molecular Dynamics Simulations of Poly (Ethylene Oxide) in Aqueous Solution.

PubMed

Starovoytov, Oleg N; Borodin, Oleg; Bedrov, Dmitry; Smith, Grant D

2011-06-14

We have developed a quantum chemistry-based polarizable potential for poly(ethylene oxide) (PEO) in aqueous solution based on the APPLE&P polarizable ether and the SWM4-DP polarizable water models. Ether-water interactions were parametrized to reproduce the binding energy of water with 1,2-dimethoxyethane (DME) determined from high-level quantum chemistry calculations. Simulations of DME-water and PEO-water solutions at room temperature using the new polarizable potentials yielded thermodynamic properties in good agreement with experimental results. The predicted miscibility of PEO and water as a function of the temperature was found to be strongly correlated with the predicted free energy of solvation of DME. The developed nonbonded force field parameters were found to be transferrable to poly(propylene oxide) (PPO), as confirmed by capturing, at least qualitatively, the miscibility of PPO in water as a function of the molecular weight.

Design of a multi-agent hydroeconomic model to simulate a complex human-water system: Early insights from the Jordan Water Project

NASA Astrophysics Data System (ADS)

Yoon, J.; Klassert, C. J. A.; Lachaut, T.; Selby, P. D.; Knox, S.; Gorelick, S.; Rajsekhar, D.; Tilmant, A.; Avisse, N.; Harou, J. J.; Gawel, E.; Klauer, B.; Mustafa, D.; Talozi, S.; Sigel, K.

2015-12-01

Our work focuses on development of a multi-agent, hydroeconomic model for purposes of water policy evaluation in Jordan. The model adopts a modular approach, integrating biophysical modules that simulate natural and engineered phenomena with human modules that represent behavior at multiple levels of decision making. The hydrologic modules are developed using spatially-distributed groundwater and surface water models, which are translated into compact simulators for efficient integration into the multi-agent model. For the groundwater model, we adopt a response matrix method approach in which a 3-dimensional MODFLOW model of a complex regional groundwater system is converted into a linear simulator of groundwater response by pre-processing drawdown results from several hundred numerical simulation runs. Surface water models for each major surface water basin in the country are developed in SWAT and similarly translated into simple rainfall-runoff functions for integration with the multi-agent model. The approach balances physically-based, spatially-explicit representation of hydrologic systems with the efficiency required for integration into a complex multi-agent model that is computationally amenable to robust scenario analysis. For the multi-agent model, we explicitly represent human agency at multiple levels of decision making, with agents representing riparian, management, supplier, and water user groups. The agents' decision making models incorporate both rule-based heuristics as well as economic optimization. The model is programmed in Python using Pynsim, a generalizable, open-source object-oriented code framework for modeling network-based water resource systems. The Jordan model is one of the first applications of Pynsim to a real-world water management case study. Preliminary results from a tanker market scenario run through year 2050 are presented in which several salient features of the water system are investigated: competition between urban and private farmer agents, the emergence of a private tanker market, disparities in economic wellbeing to different user groups caused by unique supply conditions, and response of the complex system to various policy interventions.

Overall migration and specific migration of bisphenol A diglycidyl ether monomer and m-xylylenediamine hardener from an optimized epoxy-amine formulation into water-based food simulants.

PubMed

Simal Gándara, J; López Mahía, P; Paseiro Losada, P; Simal Lozano, J; Paz Abuín, S

1993-01-01

The overall and specific migrations of BADGE n = 0 monomer and m-XDA hardener from a BEPOX LAB 889 (Gairesa internal code), epoxy system cured at room temperature, into three water-based food simulants are studied. Hydrolysis of BADGE n = 0 was observed in all of these simulants, giving more polar products. We thus propose changing the EEC Directives, which at present only legislate for levels of BADGE n = 0 monomer in the simulants, to include the hydrolysis products of BADGE monomers. Another alternative would be to express all the migration levels due to BADGE and its derived products in terms of BADGE itself.

Induced infiltration from the Rockaway River and water chemistry in a stratified-drift aquifer at Dover, New Jersey, with a section on modeling ground-water flow in the Rockaway River Valley

USGS Publications Warehouse

Dysart, Joel E.; Rheaume, Stephen J.; Kontis, Angelo L.

1999-01-01

The vertical hydraulic conductivity per unit thickness (streambed leakance) of unconsolidated sediment immediately beneath the channel of the Rockaway River near a municipal well field at Dover, N.J., is between 0.2 and 0.6 feet per day per foot and is probably near the low end of this range. This estimate is based on evaluation of three lines of evidence: (1) Streamflow measurements, which indicated that induced infiltration of river water near the well field averaged 0.67 cubic feet per second; (2) measurements of the rate of downward propagation of diurnal fluctuations in dissolved oxygen and water temperature at three piezometers, which indicated vertical Darcian flow velocities of 0.6 and 1.5 feet per day, respectively; and (3) chemical mixing models based on stable isotopes of oxygen and hydrogen, which indicated that 30 percent of the water reaching a well near the center of the well field was derived from the river. The estimated streambed-leakance values are compatible with other aquifer properties and with hydraulic stresses observed over a 2-year period, as demonstrated by a set of six alternative groundwater flow models of the Rockaway River valley. Simulated water levels rose 0.5 to 1.7 feet near the well field when simulated streambed leakance was changed from 0.2 to 0.6 feet per day per foot, or when a former reach of the Rockaway River valley that is now blocked by glacial drift was simulated as containing a continuous sand aquifer (rather than impermeable till). Model recalibration to observed water levels could accommodate either of these changes, however, by plausible adjustments in hydraulic conductivity of 35 percent or less.The ground-water flow models incorporate a new procedure for simulating areal recharge, in which water available for recharge in any time interval is accepted as recharge only where the water level in the uppermost model layer is below land surface. Water rejected as recharge on upland hillsides is allowed to recharge aquifers at the base of the hillsides. Inclusion of uplands in models of valley-fill aquifers and use of the new procedure increases model complexity and data requirements, but automates the simulation of recharge to those aquifers from the uplands, even in transient-state simulations with multiple periods of varied stresses, and facilitates delineation of upland areas that contribute water to well fields. The area from which ground water flowed toward the Dover well field decreased with an increase in simulated streambed leakance or an increase in simulated hydraulic conductivity of upland till. Concentrations of solutes in ground water near the Dover well field reflect the mixing of native ground water with water infiltrated from the Rockaway River. Chemical reactions in the aquifer, chiefly the weathering of carbonate minerals by dissolved carbon dioxide, affect the pH and the concentrations of both solutes and dissolved gases. Concentrations of sodium, chloride, and sulfate appear to be related to man's activities, such as road deicing, or to decay of organic matter in the aquifer.

Use of RORA for Complex Ground-Water Flow Conditions

USGS Publications Warehouse

Rutledge, A.T.

2004-01-01

The RORA computer program for estimating recharge is based on a condition in which ground water flows perpendicular to the nearest stream that receives ground-water discharge. The method, therefore, does not explicitly account for the ground-water-flow component that is parallel to the stream. Hypothetical finite-difference simulations are used to demonstrate effects of complex flow conditions that consist of two components: one that is perpendicular to the stream and one that is parallel to the stream. Results of the simulations indicate that the RORA program can be used if certain constraints are applied in the estimation of the recession index, an input variable to the program. These constraints apply to a mathematical formulation based on aquifer properties, recession of ground-water levels, and recession of streamflow.

Influence of root-water-uptake parameterization on simulated heat transport in a structured forest soil

NASA Astrophysics Data System (ADS)

Votrubova, Jana; Vogel, Tomas; Dohnal, Michal; Dusek, Jaromir

2015-04-01

Coupled simulations of soil water flow and associated transport of substances have become a useful and increasingly popular tool of subsurface hydrology. Quality of such simulations is directly affected by correctness of its hydraulic part. When near-surface processes under vegetation cover are of interest, appropriate representation of the root water uptake becomes essential. Simulation study of coupled water and heat transport in soil profile under natural conditions was conducted. One-dimensional dual-continuum model (S1D code) with semi-separate flow domains representing the soil matrix and the network of preferential pathways was used. A simple root water uptake model based on water-potential-gradient (WPG) formulation was applied. As demonstrated before [1], the WPG formulation - capable of simulating both the compensatory root water uptake (in situations when reduced uptake from dry layers is compensated by increased uptake from wetter layers), and the root-mediated hydraulic redistribution of soil water - enables simulation of more natural soil moisture distribution throughout the root zone. The potential effect on heat transport in a soil profile is the subject of the present study. [1] Vogel T., M. Dohnal, J. Dusek, J. Votrubova, and M. Tesar. 2013. Macroscopic modeling of plant water uptake in a forest stand involving root-mediated soil-water redistribution. Vadose Zone Journal, 12, 10.2136/vzj2012.0154. The research was supported by the Czech Science Foundation Project No. 14-15201J.

Lumped Parameter Models for Predicting Nitrogen Transport in Lower Coastal Plain Watersheds

Treesearch

Devendra M. Amatya; George M. Chescheir; Glen P. Fernandez; R. Wayne Skaggs; F. Birgand; J.W. Gilliam

2003-01-01

hl recent years physically based comprehensive disfributed watershed scale hydrologic/water quality models have been developed and applied 10 evaluate cumulative effects of land arld water management practices on receiving waters, Although fhesc complex physically based models are capable of simulating the impacts ofthese changes in large watersheds, they are often...

Interactive Learning Environment: Web-based Virtual Hydrological Simulation System using Augmented and Immersive Reality

NASA Astrophysics Data System (ADS)

Demir, I.

2014-12-01

Recent developments in internet technologies make it possible to manage and visualize large data on the web. Novel visualization techniques and interactive user interfaces allow users to create realistic environments, and interact with data to gain insight from simulations and environmental observations. The hydrological simulation system is a web-based 3D interactive learning environment for teaching hydrological processes and concepts. The simulation systems provides a visually striking platform with realistic terrain information, and water simulation. Students can create or load predefined scenarios, control environmental parameters, and evaluate environmental mitigation alternatives. The web-based simulation system provides an environment for students to learn about the hydrological processes (e.g. flooding and flood damage), and effects of development and human activity in the floodplain. The system utilizes latest web technologies and graphics processing unit (GPU) for water simulation and object collisions on the terrain. Users can access the system in three visualization modes including virtual reality, augmented reality, and immersive reality using heads-up display. The system provides various scenarios customized to fit the age and education level of various users. This presentation provides an overview of the web-based flood simulation system, and demonstrates the capabilities of the system for various visualization and interaction modes.

Generalized DSS shell for developing simulation and optimization hydro-economic models of complex water resources systems

NASA Astrophysics Data System (ADS)

Pulido-Velazquez, Manuel; Lopez-Nicolas, Antonio; Harou, Julien J.; Andreu, Joaquin

2013-04-01

Hydrologic-economic models allow integrated analysis of water supply, demand and infrastructure management at the river basin scale. These models simultaneously analyze engineering, hydrology and economic aspects of water resources management. Two new tools have been designed to develop models within this approach: a simulation tool (SIM_GAMS), for models in which water is allocated each month based on supply priorities to competing uses and system operating rules, and an optimization tool (OPT_GAMS), in which water resources are allocated optimally following economic criteria. The characterization of the water resource network system requires a connectivity matrix representing the topology of the elements, generated using HydroPlatform. HydroPlatform, an open-source software platform for network (node-link) models, allows to store, display and export all information needed to characterize the system. Two generic non-linear models have been programmed in GAMS to use the inputs from HydroPlatform in simulation and optimization models. The simulation model allocates water resources on a monthly basis, according to different targets (demands, storage, environmental flows, hydropower production, etc.), priorities and other system operating rules (such as reservoir operating rules). The optimization model's objective function is designed so that the system meets operational targets (ranked according to priorities) each month while following system operating rules. This function is analogous to the one used in the simulation module of the DSS AQUATOOL. Each element of the system has its own contribution to the objective function through unit cost coefficients that preserve the relative priority rank and the system operating rules. The model incorporates groundwater and stream-aquifer interaction (allowing conjunctive use simulation) with a wide range of modeling options, from lumped and analytical approaches to parameter-distributed models (eigenvalue approach). Such functionality is not typically included in other water DSS. Based on the resulting water resources allocation, the model calculates operating and water scarcity costs caused by supply deficits based on economic demand functions for each demand node. The optimization model allocates the available resource over time based on economic criteria (net benefits from demand curves and cost functions), minimizing the total water scarcity and operating cost of water use. This approach provides solutions that optimize the economic efficiency (as total net benefit) in water resources management over the optimization period. Both models must be used together in water resource planning and management. The optimization model provides an initial insight on economically efficient solutions, from which different operating rules can be further developed and tested using the simulation model. The hydro-economic simulation model allows assessing economic impacts of alternative policies or operating criteria, avoiding the perfect foresight issues associated with the optimization. The tools have been applied to the Jucar river basin (Spain) in order to assess the economic results corresponding to the current modus operandi of the system and compare them with the solution from the optimization that maximizes economic efficiency. Acknowledgments: The study has been partially supported by the European Community 7th Framework Project (GENESIS project, n. 226536) and the Plan Nacional I+D+I 2008-2011 of the Spanish Ministry of Science and Innovation (CGL2009-13238-C02-01 and CGL2009-13238-C02-02).

Avoiding fractional electrons in subsystem DFT based ab-initio molecular dynamics yields accurate models for liquid water and solvated OH radical

DOE Office of Scientific and Technical Information (OSTI.GOV)

Genova, Alessandro, E-mail: alessandro.genova@rutgers.edu; Pavanello, Michele, E-mail: m.pavanello@rutgers.edu; Ceresoli, Davide, E-mail: davide.ceresoli@cnr.it

2016-06-21

In this work we achieve three milestones: (1) we present a subsystem DFT method capable of running ab-initio molecular dynamics simulations accurately and efficiently. (2) In order to rid the simulations of inter-molecular self-interaction error, we exploit the ability of semilocal frozen density embedding formulation of subsystem DFT to represent the total electron density as a sum of localized subsystem electron densities that are constrained to integrate to a preset, constant number of electrons; the success of the method relies on the fact that employed semilocal nonadditive kinetic energy functionals effectively cancel out errors in semilocal exchange–correlation potentials that aremore » linked to static correlation effects and self-interaction. (3) We demonstrate this concept by simulating liquid water and solvated OH{sup •} radical. While the bulk of our simulations have been performed on a periodic box containing 64 independent water molecules for 52 ps, we also simulated a box containing 256 water molecules for 22 ps. The results show that, provided one employs an accurate nonadditive kinetic energy functional, the dynamics of liquid water and OH{sup •} radical are in semiquantitative agreement with experimental results or higher-level electronic structure calculations. Our assessments are based upon comparisons of radial and angular distribution functions as well as the diffusion coefficient of the liquid.« less

Avoiding fractional electrons in subsystem DFT based ab-initio molecular dynamics yields accurate models for liquid water and solvated OH radical.

PubMed

Genova, Alessandro; Ceresoli, Davide; Pavanello, Michele

2016-06-21

In this work we achieve three milestones: (1) we present a subsystem DFT method capable of running ab-initio molecular dynamics simulations accurately and efficiently. (2) In order to rid the simulations of inter-molecular self-interaction error, we exploit the ability of semilocal frozen density embedding formulation of subsystem DFT to represent the total electron density as a sum of localized subsystem electron densities that are constrained to integrate to a preset, constant number of electrons; the success of the method relies on the fact that employed semilocal nonadditive kinetic energy functionals effectively cancel out errors in semilocal exchange-correlation potentials that are linked to static correlation effects and self-interaction. (3) We demonstrate this concept by simulating liquid water and solvated OH(•) radical. While the bulk of our simulations have been performed on a periodic box containing 64 independent water molecules for 52 ps, we also simulated a box containing 256 water molecules for 22 ps. The results show that, provided one employs an accurate nonadditive kinetic energy functional, the dynamics of liquid water and OH(•) radical are in semiquantitative agreement with experimental results or higher-level electronic structure calculations. Our assessments are based upon comparisons of radial and angular distribution functions as well as the diffusion coefficient of the liquid.

Effects of linking a soil-water-balance model with a groundwater-flow model

USGS Publications Warehouse

Stanton, Jennifer S.; Ryter, Derek W.; Peterson, Steven M.

2013-01-01

A previously published regional groundwater-flow model in north-central Nebraska was sequentially linked with the recently developed soil-water-balance (SWB) model to analyze effects to groundwater-flow model parameters and calibration results. The linked models provided a more detailed spatial and temporal distribution of simulated recharge based on hydrologic processes, improvement of simulated groundwater-level changes and base flows at specific sites in agricultural areas, and a physically based assessment of the relative magnitude of recharge for grassland, nonirrigated cropland, and irrigated cropland areas. Root-mean-squared (RMS) differences between the simulated and estimated or measured target values for the previously published model and linked models were relatively similar and did not improve for all types of calibration targets. However, without any adjustment to the SWB-generated recharge, the RMS difference between simulated and estimated base-flow target values for the groundwater-flow model was slightly smaller than for the previously published model, possibly indicating that the volume of recharge simulated by the SWB code was closer to actual hydrogeologic conditions than the previously published model provided. Groundwater-level and base-flow hydrographs showed that temporal patterns of simulated groundwater levels and base flows were more accurate for the linked models than for the previously published model at several sites, particularly in agricultural areas.

Simulation and Experimental Study on Cavitating Water Jet Nozzle

NASA Astrophysics Data System (ADS)

Zhou, Wei; He, Kai; Cai, Jiannan; Hu, Shaojie; Li, Jiuhua; Du, Ruxu

2017-01-01

Cavitating water jet technology is a new kind of water jet technology with many advantages, such as energy-saving, efficient, environmentally-friendly and so on. Based on the numerical simulation and experimental verification in this paper, the research on cavitating nozzle has been carried out, which includes comparison of the cleaning ability of the cavitating jet and the ordinary jet, and comparison of cavitation effects of different structures of cavitating nozzles.

STORM WATER MANAGEMENT MODEL QUALITY ASSURANCE REPORT: DYNAMIC WAVE FLOW ROUTING

EPA Science Inventory

The Storm Water Management Model (SWMM) is a computer-based tool for simulating storm water runoff quantity and quality from primarily urban areas. In 2002 the U.S. Environmental Protection Agency’s Water Supply and Water Resources Division partnered with the consulting firm CDM ...

Two-structure thermodynamics for the TIP4P/2005 model of water covering supercooled and deeply stretched regions.

PubMed

Biddle, John W; Singh, Rakesh S; Sparano, Evan M; Ricci, Francesco; González, Miguel A; Valeriani, Chantal; Abascal, José L F; Debenedetti, Pablo G; Anisimov, Mikhail A; Caupin, Frédéric

2017-01-21

One of the most promising frameworks for understanding the anomalies of cold and supercooled water postulates the existence of two competing, interconvertible local structures. If the non-ideality in the Gibbs energy of mixing overcomes the ideal entropy of mixing of these two structures, a liquid-liquid phase transition, terminated at a liquid-liquid critical point, is predicted. Various versions of the "two-structure equation of state" (TSEOS) based on this concept have shown remarkable agreement with both experimental data for metastable, deeply supercooled water and simulations of molecular water models. However, existing TSEOSs were not designed to describe the negative pressure region and do not account for the stability limit of the liquid state with respect to the vapor. While experimental data on supercooled water at negative pressures may shed additional light on the source of the anomalies of water, such data are very limited. To fill this gap, we have analyzed simulation results for TIP4P/2005, one of the most accurate classical water models available. We have used recently published simulation data, and performed additional simulations, over a broad range of positive and negative pressures, from ambient temperature to deeply supercooled conditions. We show that, by explicitly incorporating the liquid-vapor spinodal into a TSEOS, we are able to match the simulation data for TIP4P/2005 with remarkable accuracy. In particular, this equation of state quantitatively reproduces the lines of extrema in density, isothermal compressibility, and isobaric heat capacity. Contrary to an explanation of the thermodynamic anomalies of water based on a "retracing spinodal," the liquid-vapor spinodal in the present TSEOS continues monotonically to lower pressures upon cooling, influencing but not giving rise to density extrema and other thermodynamic anomalies.

Simulation of an active solar energy system integrated in a passive building in order to obtain system efficiency

NASA Astrophysics Data System (ADS)

Ceacaru, Mihai C.

2012-11-01

In this work we present a simulation of an active solar energy system. This system belongs to the first passive office building (2086 square meters) in Romania and it is used for water heating consumption. This office building was opened in February 2009 and was built based on passive house design solutions. For this simulation, we use Solar Water Heating module, which belongs to the software RETSCREEN and this simulation is done for several cities in Romania. Results obtained will be compared graphically.

Assessing the potential of economic instruments for managing drought risk at river basin scale

NASA Astrophysics Data System (ADS)

Pulido-Velazquez, M.; Lopez-Nicolas, A.; Macian-Sorribes, H.

2015-12-01

Economic instruments work as incentives to adapt individual decisions to collectively agreed goals. Different types of economic instruments have been applied to manage water resources, such as water-related taxes and charges (water pricing, environmental taxes, etc.), subsidies, markets or voluntary agreements. Hydroeconomic models (HEM) provide useful insight on optimal strategies for coping with droughts by simultaneously analysing engineering, hydrology and economics of water resources management. We use HEMs for evaluating the potential of economic instruments on managing drought risk at river basin scale, considering three criteria for assessing drought risk: reliability, resilience and vulnerability. HEMs allow to calculate water scarcity costs as the economic losses due to water deliveries below the target demands, which can be used as a vulnerability descriptor of drought risk. Two generic hydroeconomic DSS tools, SIMGAMS and OPTIGAMS ( both programmed in GAMS) have been developed to evaluate water scarcity cost at river basin scale based on simulation and optimization approaches. The simulation tool SIMGAMS allocates water according to the system priorities and operating rules, and evaluate the scarcity costs using economic demand functions. The optimization tool allocates water resources for maximizing net benefits (minimizing total water scarcity plus operating cost of water use). SIMGAS allows to simulate incentive water pricing policies based on water availability in the system (scarcity pricing), while OPTIGAMS is used to simulate the effect of ideal water markets by economic optimization. These tools have been applied to the Jucar river system (Spain), highly regulated and with high share of water use for crop irrigation (greater than 80%), where water scarcity, irregular hydrology and groundwater overdraft cause droughts to have significant economic, social and environmental consequences. An econometric model was first used to explain the variation of the production value of irrigated agriculture during droughts, assessing revenue responses to varying crop prices and water availability. Hydroeconomic approaches were then used to show the potential of economic instruments in setting incentives for a more efficient management of water resources systems.

Application of remote sensing in crop growth simulation and an ensembles approach to reduce model uncertainties

NASA Astrophysics Data System (ADS)

Setiyono, T. D.; Nelson, A.; Ravis, J.; Maunahan, A.; Villano, L.; Li, T.; Bouman, B.

2012-12-01

A semi-empirical model derived from the water-cloud model was used to convert synthetic- aperture radar (SAR) backscattering data into LAI. The SAR-based LAI at early rice growth stages were in a close agreement (90%) with LAI derived from MODIS data for the same study location in Nueva Ecija, Philippines. ORYZA2000 simulated rice yield of 4.5 Mg ha-1 for the 2008 wet season in Nueva Ejica, Philippines when using LAI inputs derived from SAR data, which is closer to the observed yield of 3.9 Mg ha-1, whereas simulated yield without SAR-derived LAI inputs was 5.4 Mg ha-1. The dynamic water and nitrogen balances were accounted in these simulations based on site-specific soil properties and actual fertilizer N and water management. The use of remote sensing data was promising for model application to approximate actual growth conditions and to compensate for limitations in the model due to relevant underlining processes absent in model formulations such as detailed tillering, leaf shading effect, etc., and also limiting factors not accounted in the model such as biotic factors and abiotic factors other than water and N shortages. This study also demonstrated the use an ensembles approach for provincial level rice yield estimation in the Philippines. Such ensembles approach involved statistical classifications of agronomic management settings into 25% percentile, median, and 75% levels followed by generation of factorial combinations. For irrigated lowland system, 4 factors were considered that include transplanting date, plant density, fertilizer N rate, and amount of irrigation water. For rainfed lowland system, there were 3 agronomic management factors (transplanting date, plant density, fertilizer N) and 1 soil parameter (depth of ground water table). These 4 management/soil factors and 3 statistical levels resulted in 81 total factorial combinations representing simulation scenarios for each area of interest (province in the Philippines) and water environments (irrigated vs. rainfed). Finally a normal distribution was assumed and applied to the simulations outputs. This ensembles approach provided an efficient and yet effective method of aggregating point-based crop model results into a larger spatial level of interest. Lack of access to accurate model parameters (e.g. depth of ground water table) could be solved with this approach. The use of process-based crop growth model was critical because the ultimate aim of this study was not just to establish a reliable rice yield estimation system but also to allow yield estimation outputs explainable by the underlining agronomic practices such as transplanting date, fertilizer N application, and water management.

Analogs of microgravity: head-down tilt and water immersion.

PubMed

Watenpaugh, Donald E

2016-04-15

This article briefly reviews the fidelity of ground-based methods used to simulate human existence in weightlessness (spaceflight). These methods include horizontal bed rest (BR), head-down tilt bed rest (HDT), head-out water immersion (WI), and head-out dry immersion (DI; immersion with an impermeable elastic cloth barrier between subject and water). Among these, HDT has become by far the most commonly used method, especially for longer studies. DI is less common but well accepted for long-duration studies. Very few studies exist that attempt to validate a specific simulation mode against actual microgravity. Many fundamental physical, and thus physiological, differences exist between microgravity and our methods to simulate it, and between the different methods. Also, although weightlessness is the salient feature of spaceflight, several ancillary factors of space travel complicate Earth-based simulation. In spite of these discrepancies and complications, the analogs duplicate many responses to 0 G reasonably well. As we learn more about responses to microgravity and spaceflight, investigators will continue to fine-tune simulation methods to optimize accuracy and applicability. Copyright © 2016 the American Physiological Society.

Use of the FLUKA Monte Carlo code for 3D patient-specific dosimetry on PET-CT and SPECT-CT images*

PubMed Central

Botta, F; Mairani, A; Hobbs, R F; Vergara Gil, A; Pacilio, M; Parodi, K; Cremonesi, M; Coca Pérez, M A; Di Dia, A; Ferrari, M; Guerriero, F; Battistoni, G; Pedroli, G; Paganelli, G; Torres Aroche, L A; Sgouros, G

2014-01-01

Patient-specific absorbed dose calculation for nuclear medicine therapy is a topic of increasing interest. 3D dosimetry at the voxel level is one of the major improvements for the development of more accurate calculation techniques, as compared to the standard dosimetry at the organ level. This study aims to use the FLUKA Monte Carlo code to perform patient-specific 3D dosimetry through direct Monte Carlo simulation on PET-CT and SPECT-CT images. To this aim, dedicated routines were developed in the FLUKA environment. Two sets of simulations were performed on model and phantom images. Firstly, the correct handling of PET and SPECT images was tested under the assumption of homogeneous water medium by comparing FLUKA results with those obtained with the voxel kernel convolution method and with other Monte Carlo-based tools developed to the same purpose (the EGS-based 3D-RD software and the MCNP5-based MCID). Afterwards, the correct integration of the PET/SPECT and CT information was tested, performing direct simulations on PET/CT images for both homogeneous (water) and non-homogeneous (water with air, lung and bone inserts) phantoms. Comparison was performed with the other Monte Carlo tools performing direct simulation as well. The absorbed dose maps were compared at the voxel level. In the case of homogeneous water, by simulating 108 primary particles a 2% average difference with respect to the kernel convolution method was achieved; such difference was lower than the statistical uncertainty affecting the FLUKA results. The agreement with the other tools was within 3–4%, partially ascribable to the differences among the simulation algorithms. Including the CT-based density map, the average difference was always within 4% irrespective of the medium (water, air, bone), except for a maximum 6% value when comparing FLUKA and 3D-RD in air. The results confirmed that the routines were properly developed, opening the way for the use of FLUKA for patient-specific, image-based dosimetry in nuclear medicine. PMID:24200697

Modelling the impact of the light regime on single tree transpiration based on 3D representations of plant architecture

NASA Astrophysics Data System (ADS)

Bittner, S.; Priesack, E.

2012-04-01

We apply a functional-structural model of tree water flow to single old-growth trees in a temperate broad-leaved forest stand. Roots, stems and branches are represented by connected porous cylinder elements further divided into the inner heartwood cylinders surrounded by xylem and phloem. Xylem water flow is simulated by applying a non-linear Darcy flow in porous media driven by the water potential gradient according to the cohesion-tension theory. The flow model is based on physiological input parameters such as the hydraulic conductivity, stomatal response to leaf water potential and root water uptake capability and, thus, can reflect the different properties of tree species. The actual root water uptake is calculated using also a non-linear Darcy law based on the gradient between root xylem water potential and rhizosphere soil water potential and by the simulation of soil water flow applying Richards equation. A leaf stomatal conductance model is combined with the hydrological tree and soil water flow model and a spatially explicit three-dimensional canopy light model. The structure of the canopy and the tree architectures are derived by applying an automatic tree skeleton extraction algorithm from point clouds obtained by use of a terrestrial laser scanner allowing an explicit representation of the water flow path in the stem and branches. The high spatial resolution of the root and branch geometry and their connectivity makes the detailed modelling of the water use of single trees possible and allows for the analysis of the interaction between single trees and the influence of the canopy light regime (including different fractions of direct sunlight and diffuse skylight) on the simulated sap flow and transpiration. The model can be applied at various sites and to different tree species, enabling the up-scaling of the water usage of single trees to the total transpiration of mixed stands. Examples are given to reveal differences between diffuse- and ring-porous tree species and to simulate the diurnal dynamics of transpiration, stem sap flux, and root water uptake observed during the vegetation period in the year 2009.

Development of a station based climate database for SWAT and APEX assessments in the U.S.

USDA-ARS?s Scientific Manuscript database

Water quality simulation models such as the Soil and Water Assessment Tool (SWAT) and Agricultural Policy EXtender (APEX) are widely used in the U.S. These models require large amounts of spatial and tabular data to simulate the natural world. Accurate and seamless daily climatic data are critical...

Assessing the accuracy of improved force-matched water models derived from Ab initio molecular dynamics simulations.

PubMed

Köster, Andreas; Spura, Thomas; Rutkai, Gábor; Kessler, Jan; Wiebeler, Hendrik; Vrabec, Jadran; Kühne, Thomas D

2016-07-15

The accuracy of water models derived from ab initio molecular dynamics simulations by means on an improved force-matching scheme is assessed for various thermodynamic, transport, and structural properties. It is found that although the resulting force-matched water models are typically less accurate than fully empirical force fields in predicting thermodynamic properties, they are nevertheless much more accurate than generally appreciated in reproducing the structure of liquid water and in fact superseding most of the commonly used empirical water models. This development demonstrates the feasibility to routinely parametrize computationally efficient yet predictive potential energy functions based on accurate ab initio molecular dynamics simulations for a large variety of different systems. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Storm water management in an urban catchment: effects of source control and real-time management of sewer systems on receiving water quality.

PubMed

Frehmann, T; Nafo, I; Niemann, A; Geiger, W F

2002-01-01

For the examination of the effects of different storm water management strategies in an urban catchment area on receiving water quality, an integrated simulation of the sewer system, wastewater treatment plant and receiving water is carried out. In the sewer system real-time control measures are implemented. As examples of source control measures the reduction of wastewater and the reduction of the amount of impervious surfaces producing storm water discharges are examined. The surface runoff calculation and the simulation of the sewer system and the WWTP are based on a MATLAB/SIMULINK simulation environment. The impact of the measures on the receiving water is simulated using AQUASIM. It can be shown that the examined storm water management measures, especially the source control measures, can reduce the combined sewer overflow volume and the pollutant discharge load considerably. All examined measures also have positive effects on the receiving water quality. Moreover, the reduction of impervious surfaces avoids combined sewer overflow activities, and in consequence prevents pollutants from discharging into the receiving water after small rainfall events. However, the receiving water quality improvement may not be seen as important enough to avoid acute receiving water effects in general.

The use of surrogates for an optimal management of coupled groundwater-agriculture hydrosystems

NASA Astrophysics Data System (ADS)

Grundmann, J.; Schütze, N.; Brettschneider, M.; Schmitz, G. H.; Lennartz, F.

2012-04-01

For ensuring an optimal sustainable water resources management in arid coastal environments, we develop a new simulation based integrated water management system. It aims at achieving best possible solutions for groundwater withdrawals for agricultural and municipal water use including saline water management together with a substantial increase of the water use efficiency in irrigated agriculture. To achieve a robust and fast operation of the management system regarding water quality and water quantity we develop appropriate surrogate models by combining physically based process modelling with methods of artificial intelligence. Thereby we use an artificial neural network for modelling the aquifer response, inclusive the seawater interface, which was trained on a scenario database generated by a numerical density depended groundwater flow model. For simulating the behaviour of high productive agricultural farms crop water production functions are generated by means of soil-vegetation-atmosphere-transport (SVAT)-models, adapted to the regional climate conditions, and a novel evolutionary optimisation algorithm for optimal irrigation scheduling and control. We apply both surrogates exemplarily within a simulation based optimisation environment using the characteristics of the south Batinah region in the Sultanate of Oman which is affected by saltwater intrusion into the coastal aquifer due to excessive groundwater withdrawal for irrigated agriculture. We demonstrate the effectiveness of our methodology for the evaluation and optimisation of different irrigation practices, cropping pattern and resulting abstraction scenarios. Due to contradicting objectives like profit-oriented agriculture vs. aquifer sustainability a multi-criterial optimisation is performed.

Construction of estimated flow- and load-duration curves for Kentucky using the Water Availability Tool for Environmental Resources (WATER)

USGS Publications Warehouse

Unthank, Michael D.; Newson, Jeremy K.; Williamson, Tanja N.; Nelson, Hugh L.

2012-01-01

Flow- and load-duration curves were constructed from the model outputs of the U.S. Geological Survey's Water Availability Tool for Environmental Resources (WATER) application for streams in Kentucky. The WATER application was designed to access multiple geospatial datasets to generate more than 60 years of statistically based streamflow data for Kentucky. The WATER application enables a user to graphically select a site on a stream and generate an estimated hydrograph and flow-duration curve for the watershed upstream of that point. The flow-duration curves are constructed by calculating the exceedance probability of the modeled daily streamflows. User-defined water-quality criteria and (or) sampling results can be loaded into the WATER application to construct load-duration curves that are based on the modeled streamflow results. Estimates of flow and streamflow statistics were derived from TOPographically Based Hydrological MODEL (TOPMODEL) simulations in the WATER application. A modified TOPMODEL code, SDP-TOPMODEL (Sinkhole Drainage Process-TOPMODEL) was used to simulate daily mean discharges over the period of record for 5 karst and 5 non-karst watersheds in Kentucky in order to verify the calibrated model. A statistical evaluation of the model's verification simulations show that calibration criteria, established by previous WATER application reports, were met thus insuring the model's ability to provide acceptably accurate estimates of discharge at gaged and ungaged sites throughout Kentucky. Flow-duration curves are constructed in the WATER application by calculating the exceedence probability of the modeled daily flow values. The flow-duration intervals are expressed as a percentage, with zero corresponding to the highest stream discharge in the streamflow record. Load-duration curves are constructed by applying the loading equation (Load = Flow*Water-quality criterion) at each flow interval.

Enhancement of a parsimonious water balance model to simulate surface hydrology in a glacierized watershed

USGS Publications Warehouse

Valentin, Melissa M.; Viger, Roland J.; Van Beusekom, Ashley E.; Hay, Lauren E.; Hogue, Terri S.; Foks, Nathan Leon

2018-01-01

The U.S. Geological Survey monthly water balance model (MWBM) was enhanced with the capability to simulate glaciers in order to make it more suitable for simulating cold region hydrology. The new model, MWBMglacier, is demonstrated in the heavily glacierized and ecologically important Copper River watershed in Southcentral Alaska. Simulated water budget components compared well to satellite‐based observations and ground measurements of streamflow, evapotranspiration, snow extent, and total water storage, with differences ranging from 0.2% to 7% of the precipitation flux. Nash Sutcliffe efficiency for simulated and observed streamflow was greater than 0.8 for six of eight stream gages. Snow extent matched satellite‐based observations with Nash Sutcliffe efficiency values of greater than 0.89 in the four Copper River ecoregions represented. During the simulation period 1949 to 2009, glacier ice melt contributed 25% of total runoff, ranging from 12% to 45% in different tributaries, and glacierized area was reduced by 6%. Statistically significant (p < 0.05) decreasing and increasing trends in annual glacier mass balance occurred during the multidecade cool and warm phases of the Pacific Decadal Oscillation, respectively, reinforcing the link between climate perturbations and glacier mass balance change. The simulations of glaciers and total runoff for a large, remote region of Alaska provide useful data to evaluate hydrologic, cryospheric, ecologic, and climatic trends. MWBM glacier is a valuable tool to understand when, and to what extent, streamflow may increase or decrease as glaciers respond to a changing climate.

Ice shelf basal melt rates around Antarctica from simulations and observations

NASA Astrophysics Data System (ADS)

Schodlok, M. P.; Menemenlis, D.; Rignot, E. J.

2016-02-01

We introduce an explicit representation of Antarctic ice shelf cavities in the Estimating the Circulation and Climate of the Ocean, Phase II (ECCO2) ocean retrospective analysis; and compare resulting basal melt rates and patterns to independent estimates from satellite observations. Two simulations are carried out: the first is based on the original ECCO2 vertical discretization; the second has higher vertical resolution particularly at the depth range of ice shelf cavities. The original ECCO2 vertical discretization produces higher than observed melt rates and leads to a misrepresentation of Southern Ocean water mass properties and transports. In general, thicker levels at the base of the ice shelves lead to increased melting because of their larger heat capacity. This strengthens horizontal gradients and circulation within and outside the cavities and, in turn, warm water transports from the shelf break to the ice shelves. The simulation with more vertical levels produces basal melt rates (1735 ± 164 Gt/a) and patterns that are in better agreement with observations. Thinner levels in the sub-ice-shelf cavities improve the representation of a fresh/cold layer at the ice shelf base and of warm/salty water near the bottom, leading to a sharper pycnocline and reduced vertical mixing underneath the ice shelf. Improved water column properties lead to more accurate melt rates and patterns, especially for melt/freeze patterns under large cold-water ice shelves. At the 18 km grid spacing of the ECCO2 model configuration, the smaller, warm-water ice shelves cannot be properly represented, with higher than observed melt rates in both simulations.

Water quality simulation of sewage impacts on the west coast of Mumbai, India.

PubMed

Vijay, R; Khobragade, P J; Sohony, R A

2010-01-01

Most coastal cities use the ocean as a site of waste disposal where pollutant loading degrades the quality of coastal waters. Presently, the west coast of Mumbai receives partially treated effluent from wastewater treatment facilities through ocean outfalls and discharges into creeks as well as wastewater/sewage from various open drains and nallahs which affect the water quality of creek and coastal water. Therefore, the objective of this paper is to simulate and assess the hydrodynamic behaviour and water quality due to impact of sewage and wastewater discharges from the west coast of Mumbai. Hydrodynamics and water quality were simulated based on present conditions and validated by using measured tide, current data and observed DO, BOD and FC. Observed and simulated results indicated non compliance to standards in Malad, Mahim creeks and the impact zones of ocean outfalls. The developed model could be used for generating various conditions of hydrodynamics and water quality considering the improvement in wastewater collection systems, treatment levels and proper disposal for proper planning and management of creeks and coastal environment.

Analysis of Factors Influencing Hydration Site Prediction Based on Molecular Dynamics Simulations

PubMed Central

2015-01-01

Water contributes significantly to the binding of small molecules to proteins in biochemical systems. Molecular dynamics (MD) simulation based programs such as WaterMap and WATsite have been used to probe the locations and thermodynamic properties of hydration sites at the surface or in the binding site of proteins generating important information for structure-based drug design. However, questions associated with the influence of the simulation protocol on hydration site analysis remain. In this study, we use WATsite to investigate the influence of factors such as simulation length and variations in initial protein conformations on hydration site prediction. We find that 4 ns MD simulation is appropriate to obtain a reliable prediction of the locations and thermodynamic properties of hydration sites. In addition, hydration site prediction can be largely affected by the initial protein conformations used for MD simulations. Here, we provide a first quantification of this effect and further indicate that similar conformations of binding site residues (RMSD < 0.5 Å) are required to obtain consistent hydration site predictions. PMID:25252619

Forecasting the Water Demand in Chongqing, China Using a Grey Prediction Model and Recommendations for the Sustainable Development of Urban Water Consumption

PubMed Central

Wu, Hua’an; Zhou, Meng

2017-01-01

High accuracy in water demand predictions is an important basis for the rational allocation of city water resources and forms the basis for sustainable urban development. The shortage of water resources in Chongqing, the youngest central municipality in Southwest China, has significantly increased with the population growth and rapid economic development. In this paper, a new grey water-forecasting model (GWFM) was built based on the data characteristics of water consumption. The parameter estimation and error checking methods of the GWFM model were investigated. Then, the GWFM model was employed to simulate the water demands of Chongqing from 2009 to 2015 and forecast it in 2016. The simulation and prediction errors of the GWFM model was checked, and the results show the GWFM model exhibits better simulation and prediction precisions than those of the classical Grey Model with one variable and single order equation GM(1,1) for short and the frequently-used Discrete Grey Model with one variable and single order equation, DGM(1,1) for short. Finally, the water demand in Chongqing from 2017 to 2022 was forecasted, and some corresponding control measures and recommendations were provided based on the prediction results to ensure a viable water supply and promote the sustainable development of the Chongqing economy. PMID:29140266

Simulation and experimental research of 1MWe solar tower power plant in China

NASA Astrophysics Data System (ADS)

Yu, Qiang; Wang, Zhifeng; Xu, Ershu

2016-05-01

The establishment of a reliable simulation system for a solar tower power plant can greatly increase the economic and safety performance of the whole system. In this paper, a dynamic model of the 1MWe Solar Tower Power Plant at Badaling in Beijing is developed based on the "STAR-90" simulation platform, including the heliostat field, the central receiver system (water/steam), etc. The dynamic behavior of the global CSP plant can be simulated. In order to verify the validity of simulation system, a complete experimental process was synchronously simulated by repeating the same operating steps based on the simulation platform, including the locations and number of heliostats, the mass flow of the feed water, etc. According to the simulation and experimental results, some important parameters are taken out to make a deep comparison. The results show that there is good alignment between the simulations and the experimental results and that the error range can be acceptable considering the error of the models. In the end, a comprehensive and deep analysis on the error source is carried out according to the comparative results.

[Simulation for balanced effect of soil and water resources on cultivated land in Naoli River Basin, Northeast China under the RCPs climate scene].

PubMed

Zhou, Hao; Lei, Guo Ping; Yang, Xue Xin; Zhao, Yu Hui; Zhang, Ji Xin

2018-04-01

Under the scenarios of climate change, balancing the land and water resources is one of the key problems needed to be solved in land development. To reveal the water dynamics of the cultivated land in Naoli River Basin, we simulated the future scenarios by using the future land use simulation model based on Landsat Satellite images, the DEM data and the meteorological data. Results showed that the growth rate of cultivated land gradually decreased. It showed different changing characteristics in different time periods, which led to different balancing effect between land and water resources. In 1990, the water dynamics of the cultivated land resources was in good state, At the same time, the adjustment of crops structure caused the paddy fields increased dramatically. During 2002 to 2014, the cultivated land that in moderate and serious moisture shortage state increased slightly, the water deficit was deteriorating to a certain degree, and maintained sound development of water profit and loss situation gradually. By comparing the simulation accuracy with different spatial resolutions and time scales, we selected 200 m as the spatial resolution of the simulation, and simulated the land use status in 2038. The simulation results showed that the cultivated land's water profit and loss degree in the river basin showed significant polarization characteristic, in that the water profit and loss degree of the cultivated land would be further intensified, the area with the higher grades of moisture profit and loss degree would distribute more centralized, and partially high evaluated grades for the moisture shortage would expand. It is needed to develop the cultivated land irrigation schemes and adjust the cultivated land in Naoli River Basin to balance soil and water resources.

Subgrid-scale Condensation Modeling for Entropy-based Large Eddy Simulations of Clouds

NASA Astrophysics Data System (ADS)

Kaul, C. M.; Schneider, T.; Pressel, K. G.; Tan, Z.

2015-12-01

An entropy- and total water-based formulation of LES thermodynamics, such as that used by the recently developed code PyCLES, is advantageous from physical and numerical perspectives. However, existing closures for subgrid-scale thermodynamic fluctuations assume more traditional choices for prognostic thermodynamic variables, such as liquid potential temperature, and are not directly applicable to entropy-based modeling. Since entropy and total water are generally nonlinearly related to diagnosed quantities like temperature and condensate amounts, neglecting their small-scale variability can lead to bias in simulation results. Here we present the development of a subgrid-scale condensation model suitable for use with entropy-based thermodynamic formulations.

Assessment of water pipes durability under pressure surge

NASA Astrophysics Data System (ADS)

Pham Ha, Hai; Minh, Lanh Pham Thi; Tang Van, Lam; Bulgakov, Boris; Bazhenova, Soafia

2017-10-01

Surge phenomenon occurs on the pipeline by the closing valve or pump suddenly lost power. Due to the complexity of the water hammer simulation, previous researches have only considered water hammer on the single pipe or calculation of some positions on water pipe network, it have not been analysis for all of pipe on the water distribution systems. Simulation of water hammer due to closing valve on water distribution system and the influence level of pressure surge is evaluated at the defects on pipe. Water hammer on water supply pipe network are simulated by Water HAMMER software academic version and the capacity of defects are calculated by SINTAP. SINTAP developed from Brite-Euram projects in Brussels-Belgium with the aim to develop a process for assessing the integrity of the structure for the European industry. Based on the principle of mechanical fault, indicating the size of defects in materials affect the load capacity of the product in the course of work, the process has proposed setting up the diagram to fatigue assessment defect (FAD). The methods are applied for water pipe networks of Lien Chieu district, Da Nang city, Viet Nam, the results show the affected area of wave pressure by closing the valve and thereby assess the greatest pressure surge effect to corroded pipe. The SINTAP standard and finite element mesh analysis at the defect during the occurrence of pressure surge which will accurately assess the bearing capacity of the old pipes. This is one of the bases to predict the leakage locations on the water distribution systems. Amount of water hammer when identified on the water supply networks are decreasing due to local losses at the nodes as well as the friction with pipe wall, so this paper adequately simulate water hammer phenomena applying for actual water distribution systems. The research verified that pipe wall with defect is damaged under the pressure surge value.

Structural, electronic, and dynamical properties of liquid water by ab initio molecular dynamics based on SCAN functional within the canonical ensemble

NASA Astrophysics Data System (ADS)

Zheng, Lixin; Chen, Mohan; Sun, Zhaoru; Ko, Hsin-Yu; Santra, Biswajit; Dhuvad, Pratikkumar; Wu, Xifan

2018-04-01

We perform ab initio molecular dynamics (AIMD) simulation of liquid water in the canonical ensemble at ambient conditions using the strongly constrained and appropriately normed (SCAN) meta-generalized-gradient approximation (GGA) functional approximation and carry out systematic comparisons with the results obtained from the GGA-level Perdew-Burke-Ernzerhof (PBE) functional and Tkatchenko-Scheffler van der Waals (vdW) dispersion correction inclusive PBE functional. We analyze various properties of liquid water including radial distribution functions, oxygen-oxygen-oxygen triplet angular distribution, tetrahedrality, hydrogen bonds, diffusion coefficients, ring statistics, density of states, band gaps, and dipole moments. We find that the SCAN functional is generally more accurate than the other two functionals for liquid water by not only capturing the intermediate-range vdW interactions but also mitigating the overly strong hydrogen bonds prescribed in PBE simulations. We also compare the results of SCAN-based AIMD simulations in the canonical and isothermal-isobaric ensembles. Our results suggest that SCAN provides a reliable description for most structural, electronic, and dynamical properties in liquid water.

A spatial simulation model of hydrology and vegetation dynamics in semi-permanent prairie wetlands

USGS Publications Warehouse

Poiani, Karen A.; Johnson, W. Carter

1993-01-01

The objective of this study was to construct a spatial simulation model of the vegetation dynamics in semi-permanent prairie wetlands. A hydrologic submodel estimated water levels based on precipitation, runoff, and potential evapotranspiration. A vegetation submodel calculated the amount and distribution of emergent cover and open water using a geographic information system. The response of vegetation to water-level changes was based on seed bank composition, seedling recruitment and establishment, and plant survivorship. The model was developed and tested using data from the Cottonwood Lake study site in North Dakota. Data from semi-permanent wetland P1 were used to calibrate the model. Data from a second wetland, P4, were used to evaluate model performance. Simulation results were compared with actual water data from 1797 through 1989. Test results showed that differences between calculated and observed water levels were within 10 cm 75% of the time. Open water over the past decade ranged from 0 to 7% in wetland P4 and from 0 to 8% in submodel simulations. Several model parameters including evapotranspiration and timing of seedling germination could be improved with more complex techniques or relatively minor adjustments. Despite these differences the model adequately represented vegetation dynamics of prairie wetlands and can be used to examine wetland response to natural or human-induced climate change.

Using precipitation, vertical root distribution, and satellite-retrieved vegetation information to parameterize water stress in a Penman-Monteith approach to evapotranspiration modeling under Mediterranean climate

DOE PAGES

Bai, Yun; Zhang, Jiahua; Zhang, Sha; ...

2017-01-04

Here, recent studies have shown that global Penman-Monteith equation based (PM-based) models poorly simulate water stress when estimating evapotranspiration (ET) in areas having a Mediterranean climate (AMC). In this study, we propose a novel approach using precipitation, vertical root distribution (VRD), and satellite-retrieved vegetation information to simulate water stress in a PM-based model (RS-WBPM) to address this issue. A multilayer water balance module is employed to simulate the soil water stress factor (SWSF) of multiple soil layers at different depths. The water stress factor (WSF) for surface evapotranspiration is determined by VRD information and SWSF in each layer. Additionally, fourmore » older PM-based models (PMOV) are evaluated at 27 flux sites in AMC. Results show that PMOV fails to estimate the magnitude or capture the variation of ET in summer at most sites, whereas RS-WBPM is successful. The daily ET resulting from RS-WBPM incorporating recommended VI (NDVI for shrub and EVI for other biomes) agrees well with observations, with R2 = 0.60 ( RMSE = 18.72 W m-2) for all 27 sites and R2=0.62 ( RMSE 5 18.21 W m-2) for 25 nonagricultural sites. However, combined results from the optimum older PM-based models at specific sites show R2 values of only 0.50 ( RMSE 5 20.74 W m-2) for all 27 sites. RS-WBPM is also found to outperform other ET models that also incorporate a soil water balance module. As all inputs of RS-WBPM are globally available, the results from RS-WBPM are encouraging and imply the potential of its implementation on a regional and global scale.« less

Using precipitation, vertical root distribution, and satellite-retrieved vegetation information to parameterize water stress in a Penman-Monteith approach to evapotranspiration modeling under Mediterranean climate

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bai, Yun; Zhang, Jiahua; Zhang, Sha

Here, recent studies have shown that global Penman-Monteith equation based (PM-based) models poorly simulate water stress when estimating evapotranspiration (ET) in areas having a Mediterranean climate (AMC). In this study, we propose a novel approach using precipitation, vertical root distribution (VRD), and satellite-retrieved vegetation information to simulate water stress in a PM-based model (RS-WBPM) to address this issue. A multilayer water balance module is employed to simulate the soil water stress factor (SWSF) of multiple soil layers at different depths. The water stress factor (WSF) for surface evapotranspiration is determined by VRD information and SWSF in each layer. Additionally, fourmore » older PM-based models (PMOV) are evaluated at 27 flux sites in AMC. Results show that PMOV fails to estimate the magnitude or capture the variation of ET in summer at most sites, whereas RS-WBPM is successful. The daily ET resulting from RS-WBPM incorporating recommended VI (NDVI for shrub and EVI for other biomes) agrees well with observations, with R2 = 0.60 ( RMSE = 18.72 W m-2) for all 27 sites and R2=0.62 ( RMSE 5 18.21 W m-2) for 25 nonagricultural sites. However, combined results from the optimum older PM-based models at specific sites show R2 values of only 0.50 ( RMSE 5 20.74 W m-2) for all 27 sites. RS-WBPM is also found to outperform other ET models that also incorporate a soil water balance module. As all inputs of RS-WBPM are globally available, the results from RS-WBPM are encouraging and imply the potential of its implementation on a regional and global scale.« less

Using precipitation, vertical root distribution, and satellite-retrieved vegetation information to parameterize water stress in a Penman-Monteith approach to evapotranspiration modeling under Mediterranean climate

NASA Astrophysics Data System (ADS)

Bai, Yun; Zhang, Jiahua; Zhang, Sha; Koju, Upama Ashish; Yao, Fengmei; Igbawua, Tertsea

2017-03-01

Recent studies have shown that global Penman-Monteith equation based (PM-based) models poorly simulate water stress when estimating evapotranspiration (ET) in areas having a Mediterranean climate (AMC). In this study, we propose a novel approach using precipitation, vertical root distribution (VRD), and satellite-retrieved vegetation information to simulate water stress in a PM-based model (RS-WBPM) to address this issue. A multilayer water balance module is employed to simulate the soil water stress factor (SWSF) of multiple soil layers at different depths. The water stress factor (WSF) for surface evapotranspiration is determined by VRD information and SWSF in each layer. Additionally, four older PM-based models (PMOV) are evaluated at 27 flux sites in AMC. Results show that PMOV fails to estimate the magnitude or capture the variation of ET in summer at most sites, whereas RS-WBPM is successful. The daily ET resulting from RS-WBPM incorporating recommended VI (NDVI for shrub and EVI for other biomes) agrees well with observations, with R2=0.60 (RMSE = 18.72 W m-2) for all 27 sites and R2=0.62 (RMSE = 18.21 W m-2) for 25 nonagricultural sites. However, combined results from the optimum older PM-based models at specific sites show R2 values of only 0.50 (RMSE = 20.74 W m-2) for all 27 sites. RS-WBPM is also found to outperform other ET models that also incorporate a soil water balance module. As all inputs of RS-WBPM are globally available, the results from RS-WBPM are encouraging and imply the potential of its implementation on a regional and global scale.

Tree specific traits vs. stand level characteristics - assessing the source depths of plant water uptake in a mixed forest stand

NASA Astrophysics Data System (ADS)

Seeger, Stefan; Brinkmann, Nadine; Kahmen, Ansgar; Weiler, Markus

2017-04-01

Due to differences in fine root distributions, physiological root characteristics and plant plasticity, the spatial and temporal characteristics of plant water uptake are expected to vary between different tree species. This has implications on the overall water budget of a forest stand as well as on the drought sensitivity of particular trees. A four-year time series of climate data, soil moisture, and stable water isotopes in soil and tree xylem was used to investigate plant water uptake dynamics of four tree species (beech - Fagus sylvatica, spruce - Picea abies, ash - Fraxinus excelsior and maple - Acer pseudoplatanus) in a mixed forest stand. Modeling with a modified version of the soil hydrological model Hydrus-1D allowed us to simulate continuous time series of stable water isotopes in plant water uptake, which were compared to the measured values in tree xylem water and soil water. We found that different estimated species specific fine root distributions and root water uptake parameters lead to very similar simulated water balances and soil water isotope depth profiles for all four species. According to our simulations, differences in evaporative demand (i.e. LAI) had the biggest influence on water uptake and soil water distributions. Comparing the isotopic signatures of simulated root water uptake and measured xylem water, the simulations for beech were most suited to predict the observed signatures of all four species. This indicates that isolated, tree specific parametrized 1-D simulations are not suited to predict actual water uptake of different trees in a mixed stand. Due to overlapping root spaces dominant trees (in our case beeches with an LAI of around 5.5) may influence the soil water storage below accompanying trees (spruces, ashes and maples with LAIs between 1.8 and 3.1) in a degree that their actual water uptake cannot be predicted with 1-D simulations based on their smaller LAI values. Consequently, for a mixed forest stand the interplay of trees with different traits has to be accounted for in order to correctly model plant water uptake of single trees.

Impact of microwave derived soil moisture on hydrologic simulations using a spatially distributed water balance model

NASA Technical Reports Server (NTRS)

Lin, D. S.; Wood, E. F.; Famiglietti, J. S.; Mancini, M.

1994-01-01

Spatial distributions of soil moisture over an agricultural watershed with a drainage area of 60 ha were derived from two NASA microwave remote sensors, and then used as a feedback to determine the initial condition for a distributed water balance model. Simulated hydrologic fluxes over a period of twelve days were compared with field observations and with model predictions based on a streamflow derived initial condition. The results indicated that even the low resolution remotely sensed data can improve the hydrologic model's performance in simulating the dynamics of unsaturated zone soil moisture. For the particular watershed under study, the simulated water budget was not sensitive to the resolutions of the microwave sensors.

A heat and water transfer model for seasonally frozen soils with application to a precipitation-runoff model

USGS Publications Warehouse

Emerson, Douglas G.

1994-01-01

A model that simulates heat and water transfer in soils during freezing and thawing periods was developed and incorporated into the U.S. Geological Survey's Precipitation-Runoff Modeling System. The model's transfer of heat is based on an equation developed from Fourier's equation for heat flux. The model's transfer of water within the soil profile is based on the concept of capillary forces. Field capacity and infiltration rate can vary throughout the freezing and thawing period, depending on soil conditions and rate and timing of snowmelt. The model can be used to determine the effects of seasonally frozen soils on ground-water recharge and surface-water runoff. Data collected for two winters, 1985-86 and 1986-87, on three runoff plots were used to calibrate and verify the model. The winter of 1985-86 was colder than normal, and snow cover was continuous throughout the winter. The winter of 1986-87 was warmer than normal, and snow accumulated for only short periods of several days. as the criteria for determining the degree of agreement between simulated and measured data. The model was calibrated using the 1985-86 data for plot 2. The calibration simulation agreed closely with the measured data. The verification simulations for plots 1 and 3 using the 1985-86 data and for plots 1 and 2 using the 1986-87 data agreed closely with the measured data. The verification simulation for plot 3 using the 1986-87 data did not agree closely. The recalibration simulations for plots 1 and 3 using the 1985-86 data indicated little improvement because the verification simulations for plots 1 and 3 already agreed closely with the measured data.

Documentation of a heat and water transfer model for seasonally frozen soils with application to a precipitation-runoff model

USGS Publications Warehouse

Emerson, Douglas G.

1991-01-01

A model that simulates heat and water transfer in soils during freezing and thawing periods was developed and incorporated into the U.S. Geological Survey's Precipitation-Runoff Modeling System. The transfer of heat 1s based on an equation developed from Fourier's equation for heat flux. Field capacity and infiltration rate can vary throughout the freezing and thawing period, depending on soil conditions and rate and timing of snowmelt. The transfer of water within the soil profile is based on the concept of capillary forces. The model can be used to determine the effects of seasonally frozen soils on ground-water recharge and surface-water runoff. Data collected for two winters, 1985-86 and 1986-87, on three runoff plots were used to calibrate and verify the model. The winter of 1985-86 was colder than normal and snow cover was continuous throughout the winter. The winter of 1986-87 was wanner than normal and snow accumulated for only short periods of several days.Runoff, snowmelt, and frost depths were used as the criteria for determining the degree of agreement between simulated and measured data. The model was calibrated using the 1985-86 data for plot 2. The calibration simulation agreed closely with the measured data. The verification simulations for plots 1 and 3 using the 1985-86 data and for plots 1 and 2 using the 1986-87 data agreed closely with the measured data. The verification simulation for plot 3 using the 1986-87 data did not agree closely. The recalibratlon simulations for plots 1 and 3 using the 1985-86 data Indicated small improvement because the verification simulations for plots 1 and 3 already agreed closely with the measured data.

Numerical Simulation of Ground-Water Salinization in the Arkansas River Corridor, Southwest Kansas

NASA Astrophysics Data System (ADS)

Whittemore, D. O.; Perkins, S.; Tsou, M.; McElwee, C. D.; Zhan, X.; Young, D. P.

2001-12-01

The salinity of ground water in the High Plains aquifer underlying the upper Arkansas River corridor in southwest Kansas has greatly increased during the last few decades. The source of the salinization is infiltration of Arkansas River water along the river channel and in areas irrigated with diverted river water. The saline river water is derived from southeastern Colorado where consumptive losses of water in irrigation systems substantially concentrate dissolved solids in the residual water. Before development of surface- and ground-water resources, the Arkansas River gained flow along nearly all of its length in southwest Kansas. Since the 1970's, ground-water levels have declined in the High Plains aquifer from consumptive use of ground water. The water-level declines have now changed the river to a generally losing rather than gaining system. We simulated ground-water flow in the aquifers underlying 126 miles of the river corridor using MODFLOW integrated with the GIS software ArcView (Tsou and Whittemore, 2001). There are two layers in the model, one for the Quaternary alluvial aquifer and the other for the underlying High Plains aquifer. We prepared a simulation for circa 1940 that represented conditions prior to substantial ground-water development, and simulations for 40 years into the future that were based on holding constant either average water use or average ground-water levels for the 1990's. Streamflows along the river computed from the model results illustrated the flow gains from ground-water discharge for circa 1940 and losses during the 1990's. We modeled the movement of salinity as particle tracks generated by MODPATH based on the MODFLOW solutions. The results indicate that during the next 40 years, saline water will move a substantial distance in the High Plains aquifer on the south side of the central portion of the river valley. The differences between the circa 1940 and 1990's simulations fit the observed data that show large increases in the dissolved solids of ground waters in the High Plains aquifer in portions of the river corridor. The modeling indicates that management of water use in the aquifers on a large scale would be necessary to achieve significant changes in the rate and direction of saline water migration over a time scale of decades. >http://www.kgs.ukans.edu/Hydro/UARC/index.html

Bayesian Framework for Water Quality Model Uncertainty Estimation and Risk Management

EPA Science Inventory

A formal Bayesian methodology is presented for integrated model calibration and risk-based water quality management using Bayesian Monte Carlo simulation and maximum likelihood estimation (BMCML). The primary focus is on lucid integration of model calibration with risk-based wat...

Modelling surface water-groundwater interaction with a conceptual approach: model development and application in New Zealand

NASA Astrophysics Data System (ADS)

Yang, J.; Zammit, C.; McMillan, H. K.

2016-12-01

As in most countries worldwide, water management in lowland areas is a big concern for New Zealand due to its economic importance for water related human activities. As a result, the estimation of available water resources in these areas (e.g., for irrigation and water supply purpose) is crucial and often requires an understanding of complex hydrological processes, which are often characterized by strong interactions between surface water and groundwater (usually expressed as losing and gaining rivers). These processes are often represented and simulated using integrated physically based hydrological models. However models with physically based groundwater modules typically require large amount of non-readily available geologic and aquifer information and are computationally intensive. Instead, this paper presents a conceptual groundwater model that is fully integrated into New Zealand's national hydrological model TopNet based on TopModel concepts (Beven, 1992). Within this conceptual framework, the integrated model can simulate not only surface processes, but also groundwater processes and surface water-groundwater interaction processes (including groundwater flow, river-groundwater interaction, and groundwater interaction with external watersheds). The developed model was applied to two New Zealand catchments with different hydro-geological and climate characteristics (Pareora catchment in the Canterbury Plains and Grey catchment on the West Coast). Previous studies have documented strong interactions between the river and groundwater, based on the analysis of a large number of concurrent flow measurements and associated information along the river main stem. Application of the integrated hydrological model indicates flow simulation (compared to the original hydrological model conceptualisation) during low flow conditions are significantly improved and further insights on local river dynamics are gained. Due to its conceptual characteristics and low level of data requirement, the integrated model could be used at local and national scales to improve the simulation of hydrological processes in non-topographically driven areas (where groundwater processes are important), and to assess impact of climate change on the integrated hydrological cycle in these areas.

A coupled surface-water and ground-water flow model (MODBRANCH) for simulation of stream-aquifer interaction

USGS Publications Warehouse

Swain, Eric D.; Wexler, Eliezer J.

1996-01-01

Ground-water and surface-water flow models traditionally have been developed separately, with interaction between subsurface flow and streamflow either not simulated at all or accounted for by simple formulations. In areas with dynamic and hydraulically well-connected ground-water and surface-water systems, stream-aquifer interaction should be simulated using deterministic responses of both systems coupled at the stream-aquifer interface. Accordingly, a new coupled ground-water and surface-water model was developed by combining the U.S. Geological Survey models MODFLOW and BRANCH; the interfacing code is referred to as MODBRANCH. MODFLOW is the widely used modular three-dimensional, finite-difference ground-water model, and BRANCH is a one-dimensional numerical model commonly used to simulate unsteady flow in open- channel networks. MODFLOW was originally written with the River package, which calculates leakage between the aquifer and stream, assuming that the stream's stage remains constant during one model stress period. A simple streamflow routing model has been added to MODFLOW, but is limited to steady flow in rectangular, prismatic channels. To overcome these limitations, the BRANCH model, which simulates unsteady, nonuniform flow by solving the St. Venant equations, was restructured and incorporated into MODFLOW. Terms that describe leakage between stream and aquifer as a function of streambed conductance and differences in aquifer and stream stage were added to the continuity equation in BRANCH. Thus, leakage between the aquifer and stream can be calculated separately in each model, or leakages calculated in BRANCH can be used in MODFLOW. Total mass in the coupled models is accounted for and conserved. The BRANCH model calculates new stream stages for each time interval in a transient simulation based on upstream boundary conditions, stream properties, and initial estimates of aquifer heads. Next, aquifer heads are calculated in MODFLOW based on stream stages calculated by BRANCH, aquifer properties, and stresses. This process is repeated until convergence criteria are met for head and stage. Because time steps used in ground-water modeling can be much longer than time intervals used in surface- water simulations, provision has been made for handling multiple BRANCH time intervals within one MODFLOW time step. An option was also added to BRANCH to allow the simulation of channel drying and rewetting. Testing of the coupled model was verified by using data from previous studies; by comparing results with output from a simpler, four-point implicit, open-channel flow model linked with MODFLOW; and by comparison to field studies of L-31N canal in southern Florida.

Effect of water on methane adsorption on the kaolinite (0 0 1) surface based on molecular simulations

NASA Astrophysics Data System (ADS)

Zhang, Bin; Kang, Jianting; Kang, Tianhe

2018-05-01

CH4 adsorption isotherms of kaolinite with moisture contents ranging from 0 to 5 wt% water, the effects of water on maximum adsorption capacity, kaolinite swelling, and radial distribution function were modelled by the implementing combined Monte Carlo (MC) and molecular dynamics (MD) simulations at 293.15 K (20 °C) and a pressure range of 1-20 MPa. The simulation results showed that the absolute adsorption of CH4 on both dry and moist kaolinite followed a Langmuir isotherm within the simulated pressure range, and both the adsorption capacity and the rate of CH4 adsorption decreased with the water content increases. The adsorption isosteric heats of CH4 on kaolinite decreased linearly with increasing water content, indicating that at higher water contents, the interaction energy between the CH4 and kaolinite was weaker. The interaction between kaolinite and water dominates and was the main contributing factor to kaolinite clay swelling. Water molecules were preferentially adsorbed onto oxygen and hydrogen atoms in kaolinite, while methane showed a tendency to be adsorbed only onto oxygen. The simulation results of our study provide the quantitative analysis of effect of water on CH4 adsorption capacity, adsorption rate, and interaction energy from a microscopic perspective. We hope that our study will contribute to the development of strategies for the further exploration of coal bed methane and shale gas.

Machine Learning and Deep Learning Models to Predict Runoff Water Quantity and Quality

NASA Astrophysics Data System (ADS)

Bradford, S. A.; Liang, J.; Li, W.; Murata, T.; Simunek, J.

2017-12-01

Contaminants can be rapidly transported at the soil surface by runoff to surface water bodies. Physically-based models, which are based on the mathematical description of main hydrological processes, are key tools for predicting surface water impairment. Along with physically-based models, data-driven models are becoming increasingly popular for describing the behavior of hydrological and water resources systems since these models can be used to complement or even replace physically based-models. In this presentation we propose a new data-driven model as an alternative to a physically-based overland flow and transport model. First, we have developed a physically-based numerical model to simulate overland flow and contaminant transport (the HYDRUS-1D overland flow module). A large number of numerical simulations were carried out to develop a database containing information about the impact of various input parameters (weather patterns, surface topography, vegetation, soil conditions, contaminants, and best management practices) on runoff water quantity and quality outputs. This database was used to train data-driven models. Three different methods (Neural Networks, Support Vector Machines, and Recurrence Neural Networks) were explored to prepare input- output functional relations. Results demonstrate the ability and limitations of machine learning and deep learning models to predict runoff water quantity and quality.

Water resources planning based on complex system dynamics: A case study of Tianjin city

NASA Astrophysics Data System (ADS)

Zhang, X. H.; Zhang, H. W.; Chen, B.; Chen, G. Q.; Zhao, X. H.

2008-12-01

A complex system dynamic (SD) model focusing on water resources, termed as TianjinSD, is developed for the integrated and scientific management of the water resources of Tianjin, which contains information feedback that governs interactions in the system and is capable of synthesizing component-level knowledge into system behavior simulation at an integrated level, thus presenting reasonable predictive results for policy-making on water resources allocation and management. As for the Tianjin city, interactions among 96 components for 12 years are explored and four planning alternatives are chosen, one of which is based on the conventional mode assuming that the existing pattern of human activities will be prevailed, while the others are alternative planning designs based on the interaction of local authorities and planning researchers. Optimal mode is therefore obtained according to different scenarios when compared the simulation results for evaluation of different decisions and dynamic consequences.

MODFLOW/MT3DMS-based simulation of variable-density ground water flow and transport

USGS Publications Warehouse

Langevin, C.D.; Guo, W.

2006-01-01

This paper presents an approach for coupling MODFLOW and MT3DMS for the simulation of variable-density ground water flow. MODFLOW routines were modified to solve a variable-density form of the ground water flow equation in which the density terms are calculated using an equation of state and the simulated MT3DMS solute concentrations. Changes to the MODFLOW and MT3DMS input files were kept to a minimum, and thus existing data files and data files created with most pre- and postprocessors can be used directly with the SEAWAT code. The approach was tested by simulating the Henry problem and two of the saltpool laboratory experiments (low- and high-density cases). For the Henry problem, the simulated results compared well with the steady-state semianalytic solution and also the transient isochlor movement as simulated by a finite-element model. For the saltpool problem, the simulated breakthrough curves compared better with the laboratory measurements for the low-density case than for the high-density case but showed good agreement with the measured salinity isosurfaces for both cases. Results from the test cases presented here indicate that the MODFLOW/MT3DMS approach provides accurate solutions for problems involving variable-density ground water flow and solute transport. ?? 2006 National Ground Water Association.

Analysis of Effects of 2003 and Full-Allocation Withdrawals in Critical Area 1, East-Central New Jersey

USGS Publications Warehouse

Spitz, Frederick J.

2009-01-01

Critical Area 1 in east-central New Jersey was mandated in the early 1980s to address large drawdowns caused by increases in groundwater withdrawals. The aquifers involved include the Englishtown aquifer system, Wenonah-Mount Laurel aquifer, and the Upper and Middle Potomac-Raritan-Magothy aquifers. Groundwater levels recovered as a result of mandated cutbacks in withdrawals that began in the late 1980s. Subsequent increased demand for water has necessitated an analysis to determine the effects of full-allocation withdrawals, which supplements an optimization analysis done previously. A steady-state regional groundwater flow model is used to evaluate the effects of 2003 withdrawals and full-allocation withdrawals (7.3 million gallons per day greater than for 2003) on simulated water-levels. Simulation results indicate that the range of available withdrawals greater than full-allocation withdrawals is likely between 0 and 12 million gallons per day. The estimated range of available withdrawals is based on: (1) an examination of hydraulic-heads resulting from each of the two simulations, (2) an examination of differences in heads between these two simulations, (3) a comparison of simulated heads from each of the two simulations with the estimated location of salty groundwater, and (4) a comparison of simulated 2003 water levels to observed 2003 water levels. The results of the simulations also indicate that obtaining most of the available water would require varying the distribution of withdrawals and (or) relaxing the mandated hydrologic constraints used to protect the water supply.

Development of a simulation of the surficial groundwater system for the CONUS

NASA Astrophysics Data System (ADS)

Zell, W.; Sanford, W. E.

2016-12-01

Water resource and environmental managers across the country face a variety of questions involving groundwater availability and/or groundwater transport pathways. Emerging management questions require prediction of groundwater response to changing climate regimes (e.g., how drought-induced water-table recession may degrade near-stream vegetation and result in increased wildfire risks), while existing questions can require identification of current groundwater contributions to surface water (e.g., groundwater linkages between landscape contaminant inputs and receiving streams may help explain in-stream phenomena such as fish intersex). At present, few national-coverage simulation tools exist to help characterize groundwater contributions to receiving streams and predict potential changes in base-flow regimes under changing climate conditions. We will describe the Phase 1 development of a simulation of the water table and shallow groundwater system for the entire CONUS. We use national-scale datasets such as the National Recharge Map and the Map Database for Surficial Materials in the CONUS to develop groundwater flow (MODFLOW) and transport (MODPATH) models that are calibrated against groundwater level and stream elevation data from NWIS and NHD, respectively. Phase 1 includes the development of a national transmissivity map for the surficial groundwater system and examines the impact of model-grid resolution on the simulated steady-state discharge network (and associated recharge areas) and base-flow travel time distributions for different HUC scales. In the course of developing the transmissivity map we show that transmissivity in fractured bedrock systems is dependent on depth to water. Subsequent phases of this work will simulate water table changes at a monthly time step (using MODIS-dependent recharge estimates) and serve as a critical complement to surface-water-focused USGS efforts to provide national coverage hydrologic modeling tools.

Experimental and theoretical study on chemical reactions and species diffusion by a nano-pulse discharged bubble for water treatment

NASA Astrophysics Data System (ADS)

He, Yuchen; Uehara, Satoshi; Takana, Hidemasa; Nishiyama, Hideya

2018-01-01

Advanced oxidation processes using hydroxyl radicals (ṡOH) generated inside bubbles in water has drawn widely interest for the high oxidation potential of OH radical to decompose persistent organic pollutants such as dioxins and humic acid for water purification. In this study, a two-dimensional diffusion model for a nano-pulse discharged bubble in water is established. Based on the experimental results of streamer propagation inside a bubble, the diffusion processes around the bubble interface and reactions of chemical species in liquids are simulated. The simulation results show that OH radicals can diffuse only several micrometers away from the bubble interface in water. Furthermore, the optimal operating voltage and frequency conditions for OH generation is obtained by comparing the OH concentration in water obtained from numerical simulation with that measured by spectroscopy in experiment.

Geochemical simulation of fluid rock interactions to predict flowback water compostions during hydraulic fracturing

NASA Astrophysics Data System (ADS)

Kühn, Michael; Vieth-Hillebrand, Andrea; Wilke, Franziska D. H.

2017-04-01

Black shales are a heterogeneous mixture of minerals, organic matter and formation water and little is actually known about the fluid-rock interactions during hydraulic fracturing and their effects on composition of flowback and produced water. Geochemical simulations have been performed based on the analyses of "real" flowback water samples and artificial stimulation fluids from lab experiments with the aim to set up a chemical process model for shale gas reservoirs. Prediction of flowback water compositions for potential or already chosen sites requires validated and parameterized geochemical models. For the software "Geochemist's Workbench" (GWB) data bases are adapted and amended based on a literature review. Evaluation of the system has been performed in comparison with the results from laboratory experiments. Parameterization was done in regard to field data provided. Finally, reaction path models are applied for quantitative information about the mobility of compounds in specific settings. Our work leads to quantitative estimates of reservoir compounds in the flowback based on calibrations by laboratory experiments. Such information is crucial for the assessment of environmental impacts as well as to estimate human- and ecotoxicological effects of the flowback waters from a variety of natural gas shales. With a comprehensive knowledge about potential composition and mobility of flowback water, selection of water treatment techniques will become easier.

Accelerated Monte Carlo Simulation on the Chemical Stage in Water Radiolysis using GPU

PubMed Central

Tian, Zhen; Jiang, Steve B.; Jia, Xun

2018-01-01

The accurate simulation of water radiolysis is an important step to understand the mechanisms of radiobiology and quantitatively test some hypotheses regarding radiobiological effects. However, the simulation of water radiolysis is highly time consuming, taking hours or even days to be completed by a conventional CPU processor. This time limitation hinders cell-level simulations for a number of research studies. We recently initiated efforts to develop gMicroMC, a GPU-based fast microscopic MC simulation package for water radiolysis. The first step of this project focused on accelerating the simulation of the chemical stage, the most time consuming stage in the entire water radiolysis process. A GPU-friendly parallelization strategy was designed to address the highly correlated many-body simulation problem caused by the mutual competitive chemical reactions between the radiolytic molecules. Two cases were tested, using a 750 keV electron and a 5 MeV proton incident in pure water, respectively. The time-dependent yields of all the radiolytic species during the chemical stage were used to evaluate the accuracy of the simulation. The relative differences between our simulation and the Geant4-DNA simulation were on average 5.3% and 4.4% for the two cases. Our package, executed on an Nvidia Titan black GPU card, successfully completed the chemical stage simulation of the two cases within 599.2 s and 489.0 s. As compared with Geant4-DNA that was executed on an Intel i7-5500U CPU processor and needed 28.6 h and 26.8 h for the two cases using a single CPU core, our package achieved a speed-up factor of 171.1-197.2. PMID:28323637

Accelerated Monte Carlo simulation on the chemical stage in water radiolysis using GPU

NASA Astrophysics Data System (ADS)

Tian, Zhen; Jiang, Steve B.; Jia, Xun

2017-04-01

The accurate simulation of water radiolysis is an important step to understand the mechanisms of radiobiology and quantitatively test some hypotheses regarding radiobiological effects. However, the simulation of water radiolysis is highly time consuming, taking hours or even days to be completed by a conventional CPU processor. This time limitation hinders cell-level simulations for a number of research studies. We recently initiated efforts to develop gMicroMC, a GPU-based fast microscopic MC simulation package for water radiolysis. The first step of this project focused on accelerating the simulation of the chemical stage, the most time consuming stage in the entire water radiolysis process. A GPU-friendly parallelization strategy was designed to address the highly correlated many-body simulation problem caused by the mutual competitive chemical reactions between the radiolytic molecules. Two cases were tested, using a 750 keV electron and a 5 MeV proton incident in pure water, respectively. The time-dependent yields of all the radiolytic species during the chemical stage were used to evaluate the accuracy of the simulation. The relative differences between our simulation and the Geant4-DNA simulation were on average 5.3% and 4.4% for the two cases. Our package, executed on an Nvidia Titan black GPU card, successfully completed the chemical stage simulation of the two cases within 599.2 s and 489.0 s. As compared with Geant4-DNA that was executed on an Intel i7-5500U CPU processor and needed 28.6 h and 26.8 h for the two cases using a single CPU core, our package achieved a speed-up factor of 171.1-197.2.

Accelerated Monte Carlo simulation on the chemical stage in water radiolysis using GPU.

PubMed

Tian, Zhen; Jiang, Steve B; Jia, Xun

2017-04-21

The accurate simulation of water radiolysis is an important step to understand the mechanisms of radiobiology and quantitatively test some hypotheses regarding radiobiological effects. However, the simulation of water radiolysis is highly time consuming, taking hours or even days to be completed by a conventional CPU processor. This time limitation hinders cell-level simulations for a number of research studies. We recently initiated efforts to develop gMicroMC, a GPU-based fast microscopic MC simulation package for water radiolysis. The first step of this project focused on accelerating the simulation of the chemical stage, the most time consuming stage in the entire water radiolysis process. A GPU-friendly parallelization strategy was designed to address the highly correlated many-body simulation problem caused by the mutual competitive chemical reactions between the radiolytic molecules. Two cases were tested, using a 750 keV electron and a 5 MeV proton incident in pure water, respectively. The time-dependent yields of all the radiolytic species during the chemical stage were used to evaluate the accuracy of the simulation. The relative differences between our simulation and the Geant4-DNA simulation were on average 5.3% and 4.4% for the two cases. Our package, executed on an Nvidia Titan black GPU card, successfully completed the chemical stage simulation of the two cases within 599.2 s and 489.0 s. As compared with Geant4-DNA that was executed on an Intel i7-5500U CPU processor and needed 28.6 h and 26.8 h for the two cases using a single CPU core, our package achieved a speed-up factor of 171.1-197.2.

Simulation of the ground-water-flow system in the Kalamazoo County area, Michigan

USGS Publications Warehouse

Luukkonen, Carol L.; Blumer, Stephen P.; Weaver, T.L.; Jean, Julie

2004-01-01

A ground-water-flow model was developed to investigate the ground-water resources of Kalamazoo County. Ground water is widely used as a source of water for drinking and industry in Kalamazoo County and the surrounding area. Additionally, lakes and streams are valued for their recreational and aesthetic uses. Stresses on the ground-water system, both natural and human-induced, have raised concerns about the long-term availability of ground water for people to use and for replenishment of lakes and streams. Potential changes in these stresses, including withdrawals and recharge, were simulated using a ground-water-flow model. Simulations included steady-state conditions (in which stresses remained constant and changes in storage were not included) and transient conditions (in which stresses changed in seasonal and monthly time scales and storage within the system was included). Steady-state simulations were used to investigate the long-term effects on water levels and streamflow of a reduction in recharge or an increase in pumping to projected 2010 withdrawal rates, withdrawal and application of water for irrigation, and a reduction in recharge in urban areas caused by impervious surfaces. Transient simulations were used to investigate changes in withdrawals to match seasonal and monthly patterns under various recharge conditions, and the potential effects of the use of water for irrigation over the summer months. With a reduction in recharge, simulated water levels declined over most of the model area in Kalamazoo County; with an increase in pumping, water levels declined primarily near pumping centers. Because withdrawals by wells intercept water that would have discharged possibly to a stream or lake, model simulations indicated that streamflow was reduced with increased withdrawals. With withdrawal and consumption of water for irrigation, simulated water levels declined. Assuming a reduction in recharge due to urbanization, water levels declined and flow to streams was reduced based on steady-state simulation results. Transient results indicated a reduction of water levels with the simulated use of water for irrigation over the summer months. Generally the transient simulation with recharge only in the winter provided the best fit to observed water levels collected during synoptic water-level measurements in some wells and to the trends observed in water levels for other wells. Analysis of the regional hydrologic budgets provides an increased understanding of water movement within the ground-water-flow system in Kalamazoo County. Budgets for the steady-state simulations indicated that with reduced recharge, less water was available for streamflow and less water left the model area through the model boundaries. Similarly, with an increase in pumping rates, less water was available to enter streams and become streamflow. When recharge was assumed to remain constant and when it was allowed to vary throughout the year, the amount of water that entered storage was greater than that which left storage. However, when recharge was distributed through October?May only or when recharge rates were reduced from October to May, the amount of water that entered storage was less than that which left storage. Thus, on the basis of model simulations, with reduced recharge or increased withdrawals, water must come from storage, rivers, or from ground-flow-system boundaries to meet withdrawal demands.

A decision support tool for sustainable planning of urban water systems: presenting the Dynamic Urban Water Simulation Model.

PubMed

Willuweit, Lars; O'Sullivan, John J

2013-12-15

Population growth, urbanisation and climate change represent significant pressures on urban water resources, requiring water managers to consider a wider array of management options that account for economic, social and environmental factors. The Dynamic Urban Water Simulation Model (DUWSiM) developed in this study links urban water balance concepts with the land use dynamics model MOLAND and the climate model LARS-WG, providing a platform for long term planning of urban water supply and water demand by analysing the effects of urbanisation scenarios and climatic changes on the urban water cycle. Based on potential urbanisation scenarios and their effects on a city's water cycle, DUWSiM provides the functionality for assessing the feasibility of centralised and decentralised water supply and water demand management options based on forecasted water demand, stormwater and wastewater generation, whole life cost and energy and potential for water recycling. DUWSiM has been tested using data from Dublin, the capital of Ireland, and it has been shown that the model is able to satisfactorily predict water demand and stormwater runoff. Copyright © 2013 Elsevier Ltd. All rights reserved.

Rapid toxicity detection in water quality control utilizing automated multispecies biomonitoring for permanent space stations

NASA Technical Reports Server (NTRS)

Morgan, E. L.; Young, R. C.; Smith, M. D.; Eagleson, K. W.

1986-01-01

The objective of this study was to evaluate proposed design characteristics and applications of automated biomonitoring devices for real-time toxicity detection in water quality control on-board permanent space stations. Simulated tests in downlinking transmissions of automated biomonitoring data to Earth-receiving stations were simulated using satellite data transmissions from remote Earth-based stations.

Process-based modeling of temperature and water profiles in the seedling recruitment zone: Part II. Seedling emergence timing

USDA-ARS?s Scientific Manuscript database

Predictions of seedling emergence timing for spring wheat are facilitated by process-based modeling of the microsite environment in the shallow seedling recruitment zone. Hourly temperature and water profiles within the recruitment zone for 60 days after planting were simulated from the process-base...

Integrated water flow model and modflow-farm process: A comparison of theory, approaches, and features of two integrated hydrologic models

USGS Publications Warehouse

Dogrul, Emin C.; Schmid, Wolfgang; Hanson, Randall T.; Kadir, Tariq; Chung, Francis

2016-01-01

Effective modeling of conjunctive use of surface and subsurface water resources requires simulation of land use-based root zone and surface flow processes as well as groundwater flows, streamflows, and their interactions. Recently, two computer models developed for this purpose, the Integrated Water Flow Model (IWFM) from the California Department of Water Resources and the MODFLOW with Farm Process (MF-FMP) from the US Geological Survey, have been applied to complex basins such as the Central Valley of California. As both IWFM and MFFMP are publicly available for download and can be applied to other basins, there is a need to objectively compare the main approaches and features used in both models. This paper compares the concepts, as well as the method and simulation features of each hydrologic model pertaining to groundwater, surface water, and landscape processes. The comparison is focused on the integrated simulation of water demand and supply, water use, and the flow between coupled hydrologic processes. The differences in the capabilities and features of these two models could affect the outcome and types of water resource problems that can be simulated.

Urbanization and watershed sustainability: Collaborative simulation modeling of future development states

NASA Astrophysics Data System (ADS)

Randhir, Timothy O.; Raposa, Sarah

2014-11-01

Urbanization has a significant impact on water resources and requires a watershed-based approach to evaluate impacts of land use and urban development on watershed processes. This study uses a simulation with urban policy scenarios to model and strategize transferable recommendations for municipalities and cities to guide urban decisions using watershed ecohydrologic principles. The watershed simulation model is used to evaluation intensive (policy in existing built regions) and extensive (policy outside existing build regions) urban development scenarios with and without implementation of Best Management practices (BMPs). Water quantity and quality changes are simulated to assess effectiveness of five urban development scenarios. It is observed that optimal combination of intensive and extensive strategies can be used to sustain urban ecosystems. BMPs are found critical to reduce storm water and water quality impacts on urban development. Conservation zoning and incentives for voluntary adoption of BMPs can be used in sustaining urbanizing watersheds.

MODFLOW-OWHM v2: New Features and Improvements; The Next Generation of MODFLOW Conjunctive Use Simulation

NASA Astrophysics Data System (ADS)

Boyce, S. E.; Hanson, R. T.; Henson, W.; Ferguson, I. M.; Schmid, W.; Reimann, T.; Mehl, S.

2017-12-01

The One-Water Hydrologic Flow Model (One-Water) is a MODFLOW-based integrated hydrologic flow model designed for the analysis of a broad range of conjunctive-use and sustainability issues. It was motivated by the need to merge the multiple variants of MODFLOW-2005 to yield an enhanced unified version capable of simulating conjunctive use and management, sustainability, climate-related issues, and managing the relationships between groundwater, surface water, and land usage. One-Water links the movement and use of groundwater, surface water, and imported water for consumption by agriculture and natural vegetation on the landscape, and for potable and other uses within a supply-and-demand framework. The first version, released in 2014, was selected by The World Bank Water Resource Software Review in 2016 as one of three recommended simulation programs for conjunctive use and management modeling. One-Water is also being used as the primary simulation engine for FREEWAT, a European Union sponsored open-source water management software environment. The next version of One-Water will include a new surface-water operations module that simulates dynamic reservoir operations and a conduit-flow process for karst aquifers and leaky pipe networks. It will also include enhancements to local grid refinement, and additional features to facilitate easier model updates, faster execution, better error messages, and more integration/cross communication between the traditional MODFLOW packages. The new structure also helps facilitate the new integration into a "Self-Updating" structure of data streams, simulation, and analysis needed for modern water resource management. By retaining and tracking the water within the hydrosphere, One-Water accounts for "all of the water everywhere and all of the time." This philosophy provides more confidence in the water accounting to the scientific community and provides the public a foundation needed to address wider classes of problems. Ultimately, more complex questions are being asked about water resources, requiring tools that more completely answer conjunctive-use management questions.

Enhancing Flood Prediction Reliability Using Bayesian Model Averaging

NASA Astrophysics Data System (ADS)

Liu, Z.; Merwade, V.

2017-12-01

Uncertainty analysis is an indispensable part of modeling the hydrology and hydrodynamics of non-idealized environmental systems. Compared to reliance on prediction from one model simulation, using on ensemble of predictions that consider uncertainty from different sources is more reliable. In this study, Bayesian model averaging (BMA) is applied to Black River watershed in Arkansas and Missouri by combining multi-model simulations to get reliable deterministic water stage and probabilistic inundation extent predictions. The simulation ensemble is generated from 81 LISFLOOD-FP subgrid model configurations that include uncertainty from channel shape, channel width, channel roughness and discharge. Model simulation outputs are trained with observed water stage data during one flood event, and BMA prediction ability is validated for another flood event. Results from this study indicate that BMA does not always outperform all members in the ensemble, but it provides relatively robust deterministic flood stage predictions across the basin. Station based BMA (BMA_S) water stage prediction has better performance than global based BMA (BMA_G) prediction which is superior to the ensemble mean prediction. Additionally, high-frequency flood inundation extent (probability greater than 60%) in BMA_G probabilistic map is more accurate than the probabilistic flood inundation extent based on equal weights.

Evaluating LSM-Based Water Budgets Over a West African Basin Assisted with a River Routing Scheme

NASA Technical Reports Server (NTRS)

Getirana, Augusto C. V.; Boone, Aaron; Peugeot, Christophe

2014-01-01

Within the framework of the African Monsoon Multidisciplinary Analysis (AMMA) Land Surface Model Intercomparison Project phase 2 (ALMIP-2), this study evaluates the water balance simulated by the Interactions between Soil, Biosphere, and Atmosphere (ISBA) over the upper Oum River basin, in Benin, using a mesoscale river routing scheme (RRS). The RRS is based on the nonlinear Muskingum Cunge method coupled with two linear reservoirs that simulate the time delay of both surface runoff and base flow that are produced by land surface models. On the basis of the evidence of a deep water-table recharge in that region,a reservoir representing the deep-water infiltration (DWI) is introduced. The hydrological processes of the basin are simulated for the 2005-08 AMMA field campaign period during which rainfall and stream flow data were intensively collected over the study area. Optimal RRS parameter sets were determined for three optimization experiments that were performed using daily stream flow at five gauges within the basin. Results demonstrate that the RRS simulates stream flow at all gauges with relative errors varying from -22% to 3% and Nash-Sutcliffe coefficients varying from 0.62 to 0.90. DWI varies from 24% to 67% of the base flow as a function of the sub-basin. The relatively simple reservoir DWI approach is quite robust, and further improvements would likely necessitate more complex solutions (e.g., considering seasonality and soil type in ISBA); thus, such modifications are recommended for future studies. Although the evaluation shows that the simulated stream flows are generally satisfactory, further field investigations are necessary to confirm some of the model assumptions.

Three-Dimensional Numerical Simulation to Mud Turbine for LWD

NASA Astrophysics Data System (ADS)

Yao, Xiaojiang; Dong, Jingxin; Shang, Jie; Zhang, Guanqi

Hydraulic performance analysis was discussed for a type of turbine on generator used for LWD. The simulation models were built by CFD analysis software FINE/Turbo, and full three-dimensional numerical simulation was carried out for impeller group. The hydraulic parameter such as power, speed and pressure drop, were calculated in two kinds of medium water and mud. Experiment was built in water environment. The error of numerical simulation was less than 6%, verified by experiment. Based on this rationalization proposals would be given to choice appropriate impellers, and the rationalization of methods would be explored.

Geohydrology and simulation of ground-water flow in the Red Clay Creek Basin, Chester County, Pennsylvania, and New Castle County, Delaware

USGS Publications Warehouse

Vogel, Karen L.; Reif, Andrew G.

1993-01-01

The 54-square-mile Red Clay Creek Basin, located in the lower Delaware River Basin, is underlain primarily by metamorphic rocks that range from Precambrian to Lower Paleozoic in age. Ground water flows through secondary openings in fractured crystalline rock and through primary openings below the water table in the overlying saprolite. Secondary porosity and permeability vary with hydrogeologic unit, topographic setting, and depth. Thirty-nine percent of the water-bearing zones are encountered within 100 feet of the land surface, and 79 percent are within 200 feet. The fractured crystalline rock and overlying saprolite act as a single aquifer under unconfined conditions. The water table is a subdued replica of the land surface. Local ground-water flow systems predominate in the basin, and natural ground-water discharge is to streams, comprising 62 to 71 percent of streamflow. Water budgets for 1988-90 for the 45-square-mile effective drainage area above the Woodale, Del., streamflow-measurement station show that annual precipitation ranged from 43.59 to 59.14 inches and averaged 49.81 inches, annual streamflow ranged from 15.35 to 26.33 inches and averaged 20.24 inches, and annual evapotranspiration ranged from 27.87 to 30.43 inches and averaged 28.98 inches. The crystalline rocks of the Red Clay Creek Basin were simulated two-dimensionally as a single aquifer under unconfined conditions. The model was calibrated for short-term steady-state conditions on November 2, 1990. Recharge was 8.32 inches per year. Values of aquifer hydraulic conductivity in hillside topographic settings ranged from 0.07 to 2.60 feet per day. Values of streambed hydraulic conductivity ranged from 0.08 to 26.0 feet per day. Prior to simulations where ground-water development was increased, the calibrated steady-state model was modified to approximate long-term average conditions in the basin. Base flow of 11.98 inches per year and a ground-water evapotranspiration rate of 2.17 inches per year were simulated by the model. Different combinations of ground-water supply and wastewater-disposal plans were simulated to assess their effects on the stream-aquifer system. Six of the simulations represent an increase in population of 14,283 and water use of 1.07 million gallons per day. One simulation represents an increase in population of 28,566 and water use of 2.14 million gallons per day. Reduction of average base flow is greatest for development plans with wastewater removed from the basin through sewers and is proportional to the amount of water removed from the basin. The development plan that had the least effect on water levels and base flow included on-lot wells and on-lot septic systems. Five organochlorine insecticides--lindane, DDT, dieldrin, heptachlor, and methoxychlor--were detected in ground water. Four organophosphorus insecticides--malathion, parathion, diazinon, and phorate--were detected in ground water. Four volatile organic compounds--benzene, toluene, tetrachloroethylene, and trichloroethylene--were detected in ground water. Phenol was detected at concentrations up to 8 micrograms per liter in water from 50 percent of 14 wells sampled. The concentration of dissolved nitrate in water from 18 percent of wells sampled exceeded 10 milligrams per liter as nitrogen; concentration of nitrate were as high as 19 milligrams per liter. PCB was detected in the bottom material of West Branch Red Clay Creek at Kennet Square at concentrations up to 5,600 micrograms per kilogram.

Characterization and simulation of fate and transport of selected volatile organic compounds in the vicinities of the Hadnot Point Industrial Area and landfill: Chapter A Supplement 6 in Analyses and historical reconstruction of groundwater flow, contaminant fate and transport, and distribution of drinking water within the service areas of the Hadnot Point and Holcomb Boulevard Water Treatment Plants and vicinities, U.S. Marine Corps Base Camp Lejeune, North Carolina

USGS Publications Warehouse

Jones, L. Elliott; Suárez-Soto, René J.; Anderson, Barbara A.; Maslia, Morris L.

2013-01-01

This supplement of Chapter A (Supplement 6) describes the reconstruction (i.e. simulation) of historical concentrations of tetrachloroethylene (PCE), trichloroethylene (TCE), and benzene3 in production wells supplying water to the Hadnot Base (USMCB) Camp Lejeune, North Carolina (Figure S6.1). A fate and transport model (i.e., MT3DMS [Zheng and Wang 1999]) was used to simulate contaminant migration from source locations through the groundwater system and to estimate mean contaminant concentrations in water withdrawn from water-supply wells in the vicinity of the Hadnot Point Industrial Area (HPIA) and the Hadnot Point landfill (HPLF) area.4 The reconstructed contaminant concentrations were subsequently input into a flow-weighted, materials mass balance (mixing) model (Masters 1998) to estimate monthly mean concentrations of the contaminant in finished water 5 at the HPWTP (Maslia et al. 2013). The calibrated fate and transport models described herein were based on and used groundwater velocities derived from groundwater-flow models that are described in Suárez-Soto et al. (2013). Information data pertinent to historical operations of water-supply wells are described in Sautner et al. (2013) and Telci et al. (2013).

Relationship between Hydrodynamic Conditions and Water Quality in Landscape Water Body

NASA Astrophysics Data System (ADS)

Kang, Mengxin; Tian, Yimei; Zhang, Haiya; Wang, Dehong

2018-01-01

The urban landscape water usually lacks necessary water cycle and water speed is closed to zero, which easily lead to eutrophication in water system and deterioration of water quality. Therefore, understanding the impact of water circulation on the water quality is of great significance. With that significance, this research has been done to investigate the relationship between hydrodynamic conditions and water quality of urban landscape water based on adopted water quality indexes such as chemical oxygen demand (COD), total nitrogen (TN), total phosphorus (TP) and nitrogen-ammonia (NH3-N). Moreover, MIKE 21 model is used to simulate the hydrodynamics and water quality under different cases in an urban landscape lake. The results of simulation show that water circulation system could effectively improve current speeds, reduce the proportion of stagnation area, and solve the problem of water quality deterioration caused by reclaimed water in the lake.

Coarse-grained model of water diffusion and proton conductivity in hydrated polyelectrolyte membrane

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Ming-Tsung; Vishnyakov, Aleksey; Neimark, Alexander V., E-mail: aneimark@rutgers.edu

2016-01-07

Using dissipative particle dynamics (DPD), we simulate nanoscale segregation, water diffusion, and proton conductivity in hydrated sulfonated polystyrene (sPS). We employ a novel model [Lee et al. J. Chem. Theory Comput. 11(9), 4395-4403 (2015)] that incorporates protonation/deprotonation equilibria into DPD simulations. The polymer and water are modeled by coarse-grained beads interacting via short-range soft repulsion and smeared charge electrostatic potentials. The proton is introduced as a separate charged bead that forms dissociable Morse bonds with the base beads representing water and sulfonate anions. Morse bond formation and breakup artificially mimics the Grotthuss mechanism of proton hopping between the bases. Themore » DPD model is parameterized by matching the proton mobility in bulk water, dissociation constant of benzenesulfonic acid, and liquid-liquid equilibrium of water-ethylbenzene solutions. The DPD simulations semi-quantitatively predict nanoscale segregation in the hydrated sPS into hydrophobic and hydrophilic subphases, water self-diffusion, and proton mobility. As the hydration level increases, the hydrophilic subphase exhibits a percolation transition from isolated water clusters to a 3D network. The analysis of hydrophilic subphase connectivity and water diffusion demonstrates the importance of the dynamic percolation effect of formation and breakup of temporary junctions between water clusters. The proposed DPD model qualitatively predicts the ratio of proton to water self-diffusion and its dependence on the hydration level that is in reasonable agreement with experiments.« less

Nonlinear effects of locally heterogeneous hydraulic conductivity fields on regional stream-aquifer exchanges

NASA Astrophysics Data System (ADS)

Zhu, J.; Winter, C. L.; Wang, Z.

2015-08-01

Computational experiments are performed to evaluate the effects of locally heterogeneous conductivity fields on regional exchanges of water between stream and aquifer systems in the Middle Heihe River Basin (MHRB) of northwestern China. The effects are found to be nonlinear in the sense that simulated discharges from aquifers to streams are systematically lower than discharges produced by a base model parameterized with relatively coarse effective conductivity. A similar, but weaker, effect is observed for stream leakage. The study is organized around three hypotheses: (H1) small-scale spatial variations of conductivity significantly affect regional exchanges of water between streams and aquifers in river basins, (H2) aggregating small-scale heterogeneities into regional effective parameters systematically biases estimates of stream-aquifer exchanges, and (H3) the biases result from slow-paths in groundwater flow that emerge due to small-scale heterogeneities. The hypotheses are evaluated by comparing stream-aquifer fluxes produced by the base model to fluxes simulated using realizations of the MHRB characterized by local (grid-scale) heterogeneity. Levels of local heterogeneity are manipulated as control variables by adjusting coefficients of variation. All models are implemented using the MODFLOW simulation environment, and the PEST tool is used to calibrate effective conductivities defined over 16 zones within the MHRB. The effective parameters are also used as expected values to develop log-normally distributed conductivity (K) fields on local grid scales. Stream-aquifer exchanges are simulated with K fields at both scales and then compared. Results show that the effects of small-scale heterogeneities significantly influence exchanges with simulations based on local-scale heterogeneities always producing discharges that are less than those produced by the base model. Although aquifer heterogeneities are uncorrelated at local scales, they appear to induce coherent slow-paths in groundwater fluxes that in turn reduce aquifer-stream exchanges. Since surface water-groundwater exchanges are critical hydrologic processes in basin-scale water budgets, these results also have implications for water resources management.

ReaxFF molecular dynamics simulation of intermolecular structure formation in acetic acid-water mixtures at elevated temperatures and pressures

NASA Astrophysics Data System (ADS)

Sengul, Mert Y.; Randall, Clive A.; van Duin, Adri C. T.

2018-04-01

The intermolecular structure formation in liquid and supercritical acetic acid-water mixtures was investigated using ReaxFF-based molecular dynamics simulations. The microscopic structures of acetic acid-water mixtures with different acetic acid mole fractions (1.0 ≥ xHAc ≥ 0.2) at ambient and critical conditions were examined. The potential energy surface associated with the dissociation of acetic acid molecules was calculated using a metadynamics procedure to optimize the dissociation energy of ReaxFF potential. At ambient conditions, depending on the acetic acid concentration, either acetic acid clusters or water clusters are dominant in the liquid mixture. When acetic acid is dominant (0.4 ≤ xHAc), cyclic dimers and chain structures between acetic acid molecules are present in the mixture. Both structures disappear at increased water content of the mixture. It was found by simulations that the acetic acid molecules released from these dimer and chain structures tend to stay in a dipole-dipole interaction. These structural changes are in agreement with the experimental results. When switched to critical conditions, the long-range interactions (e.g., second or fourth neighbor) disappear and the water-water and acetic acid-acetic acid structural formations become disordered. The simulated radial distribution function for water-water interactions is in agreement with experimental and computational studies. The first neighbor interactions between acetic acid and water molecules are preserved at relatively lower temperatures of the critical region. As higher temperatures are reached in the critical region, these interactions were observed to weaken. These simulations indicate that ReaxFF molecular dynamics simulations are an appropriate tool for studying supercritical water/organic acid mixtures.

Impacts of Climate Change on Stream Temperatures in the Clearwater River, Idaho

NASA Astrophysics Data System (ADS)

Yearsley, J. R.; Chegwidden, O.; Nijssen, B.

2016-12-01

Dworshak Dam in northern Idaho impounds the waters of the North Fork of the Clearwater River, creating a reservoir of approximately 4.278 km3 at full pool elevation. The dam's primary purpose is for flood control and hydroelectric power generation. It also provides important water quality benefits by releasing cold water into the Clearwater River during the summer when conditions become critical for migrating endangered species of salmon. Changes in the climate may have an impact on the ability of Dworshak Dam and Reservoir to provide these benefits. To investigate the potential for extreme outcomes that would limit cold water releases from Dworshak Reservoir and compromise the fishery, we implemented a system of hydrologic and water temperature models that simulate daily-averaged water temperatures in both the riverine and reservoir environments. We used the macroscale hydrologic model, VIC, to simulate land surface water and energy fluxes, the one-dimensional, time-dependent stream temperature model, RBM, to simulate river temperatures and a modified version of CEQUAL-W2 to simulate water temperatures in Dworshak Reservoir. A long-term hydrologically based gridded data set of meteorological forcing provided the input for comparing model results with available observations of flow and water temperature. For purposes of investigating the impacts of climate change, we used the results from ten of the most recent Climate Model Intercomparison Project (CMIP5) climate change models scenarios in conjunction with the estimates of anthropogenic inputs of climate change gases from two representative concentration pathways (RCP). We compared the simulated results associated with a range of outcomes at critical river locations from the climate scenarios with existing conditions assuming that the reservoir would be operated under a rule curve based on the average reservoir elevation for the period 2006-2015 rule curve and for power demands represented by that same period.

Project summaries

NASA Technical Reports Server (NTRS)

1990-01-01

Lunar base projects, including a reconfigurable lunar cargo launcher, a thermal and micrometeorite protection system, a versatile lifting machine with robotic capabilities, a cargo transport system, the design of a road construction system for a lunar base, and the design of a device for removing lunar dust from material surfaces, are discussed. The emphasis on the Gulf of Mexico project was on the development of a computer simulation model for predicting vessel station keeping requirements. An existing code, used in predicting station keeping requirements for oil drilling platforms operating in North Shore (Alaska) waters was used as a basis for the computer simulation. Modifications were made to the existing code. The input into the model consists of satellite altimeter readings and water velocity readings from buoys stationed in the Gulf of Mexico. The satellite data consists of altimeter readings (wave height) taken during the spring of 1989. The simulation model predicts water velocity and direction, and wind velocity.

[Design and Preparation of Plant Bionic Materials Based on Optical and Infrared Features Simulation].

PubMed

Jiang, Xiao-jun; Lu, Xu-liang; Pan, Jia-liang; Zhang, Shuan-qin

2015-07-01

Due to the life characteristics such as physiological structure and transpiration, plants have unique optical and infrared features. In the optical band, because of the common effects of chlorophyll and water, plant leafs show spectral reflectance characteristics change in 550, 680, 1400 and 1900 nm significantly. In the infrared wave band, driven by transpiration, plants could regulate temperature on their own initiative, which make the infrared characteristics of plants different from artificial materials. So palnt bionic materials were proposed to simulate optical and infrared characteristics of plants. By analyzing formation mechanism of optical and infrared features about green plants, the component design and heat-transfer process of plants bionic materials were studied, above these the heat-transfer control formulation was established. Based on water adsorption/release compound, optical pigments and other man-made materials, plant bionic materials preparation methods were designed which could simulate the optical and infrared features of green plants. By chemical casting methods plant bionic material films were prepared, which use polyvinyl alcohol as film forming and water adsorption/release compound, and use optical pigments like chrome green and macromolecule yellow as colouring materials. The research conclusions achieved by testings figured out: water adsorption/release testing showed that the plant bionic materials with a certain thickness could absorb 1.3 kg water per square meter, which could satisfy the water usage of transpiration simulation one day; the optical and infrared simulated effect tests indicated that the plant bionic materials could preferably simulate the spectral reflective performance of green plants in optical wave band (380-2500 nm, expecially in 1400 and 1900 nm which were water absorption wave band of plants), and also it had similar daily infrared radiation variations with green plants, daily average radiation temperature difference was 0.37 degrees C, maximum radiation temperature difference was 0.9 degrees C; so according to the testing results, the materials behave well plant bionic performance.

Fresh Water Content Variability in the Arctic Ocean

NASA Technical Reports Server (NTRS)

Hakkinen, Sirpa; Proshutinsky, Andrey

2003-01-01

Arctic Ocean model simulations have revealed that the Arctic Ocean has a basin wide oscillation with cyclonic and anticyclonic circulation anomalies (Arctic Ocean Oscillation; AOO) which has a prominent decadal variability. This study explores how the simulated AOO affects the Arctic Ocean stratification and its relationship to the sea ice cover variations. The simulation uses the Princeton Ocean Model coupled to sea ice. The surface forcing is based on NCEP-NCAR Reanalysis and its climatology, of which the latter is used to force the model spin-up phase. Our focus is to investigate the competition between ocean dynamics and ice formation/melt on the Arctic basin-wide fresh water balance. We find that changes in the Atlantic water inflow can explain almost all of the simulated fresh water anomalies in the main Arctic basin. The Atlantic water inflow anomalies are an essential part of AOO, which is the wind driven barotropic response to the Arctic Oscillation (AO). The baroclinic response to AO, such as Ekman pumping in the Beaufort Gyre, and ice meldfreeze anomalies in response to AO are less significant considering the whole Arctic fresh water balance.

Simulated effects of impoundment of lake seminole on ground-water flow in the upper Floridan Aquifer in southwestern Georgia and adjacent parts of Alabama and Florida

USGS Publications Warehouse

Jones, L. Elliott; Torak, Lynn J.

2004-01-01

Hydrologic implications of the impoundment of Lake Seminole in southwest Georgia and its effect on components of the surface- and ground-water flow systems of the lower Apalachicola?Chattahoochee?Flint (ACF) River Basin were investigated using a ground-water model. Comparison of simulation results of postimpoundment drought conditions (October 1986) with results of hypothetical preimpoundment conditions (a similar drought prior to 1955) provides a qualitative measure of the changes in hydraulic head and ground-water flow to and from streams and Lake Seminole, and across State lines caused by the impoundment. Based on the simulation results, the impoundment of Lake Seminole changed ground-water flow directions within about 20?30 miles of the lake, reducing the amount of ground water flowing from Florida to Georgia southeast of the lake. Ground-water storage was increased by the impoundment, as indicated by a simulated increase of as much as 26 feet in the water level in the Upper Floridan aquifer. The impoundment of Lake Seminole caused changes to simulated components of the ground-water budget, including reduced discharge from the Upper Floridan aquifer to streams (315 million gallons per day); reduced recharge from or increased discharge to regional ground-water flow at external model boundaries (totaling 183 million gallons per day); and reduced recharge from or increased discharge to the undifferentiated overburden (totaling 129 million gallons per day).

Evaluation of the ground-water resources of parts of Lancaster and Berks Counties, Pennsylvania

USGS Publications Warehouse

Gerhart, J.M.; Lazorchick, G.J.

1984-01-01

Secondary openings in bedrock are the avenues for virtually all ground-water flow in a 626-sqare-mile area in Lancaster and Berks Counties, Pennsylvania. The number, size, and interconnection of secondary openings are functions of lithology, depth, and topography. Ground water actively circulates to depths of 150 to 300 feet below land surface. Total average annual ground-water recharge for the area is 388 million gallons per day, most of which discharges to streams from local, unconfined flow systems. A digital ground-water flow model was developed to simulate unconfined flow under several different recharge and withdrawal scenarios. On the basis of lithologic and hydrologic differences, the modeled area was sub-divided into 22 hydrogeologic units. A finite-difference grid with rectangular blocks, each 2,015 by 2,332 feet, was used. The model was calibrated under steady-state and transient conditions. The steady-state calibration was used to determine hydraulic conductivities and stream leakage coefficients and the transient calibration was used to determine specific yields. The 22 hydrogeologic units fall into four general lithologies: Carbonate rocks, metamorphic rocks, Paleozoic sedimentary rocks, and Triassic sedimentary rocks. Average hydraulic conductivity ranges from about 8.8 feet per day in carbonate units to about .5 feet per day in metamorphic units. The Stonehenge Formation (limestone) has the greatest average hydraulic conductivity--85.2 feet per day in carbonate units to about 0.11 feet per day in the greatest gaining-strem leakage coefficient--16.81 feet per day. Specific yield ranges from 0.06 to 0.09 in carbonate units, and is 0.02 to 0.015, and 0.012 in metamorphic, Paleozoic sedimentary, and Triassic sedimentary units, respectively. Transient simulations were made to determine the effects of four different combinations of natural and artificial stresses. Natural aquifer conditions (no ground-water withdrawals) and actual aquifer conditions (current ground-water withdrawals) were simulated for two years under normal seasonal and hypothetical drought (60-percent reduction in winter-spring recharge) conditions. In October, 6 months after the hypothetical drought, simulated declines in water-table altitude due to the drought occurred everywhere and ranged from a median of 3.6 feet in carbonate units to 8.7 feet in carbonate units. Simulated base flows for five major streams were reduced by 33 to 51 percent during the hypothetical drought. Also in October, maximum simulated declines in water-table altitude due to ground-water withdrawls ranged from 33 feet in carbonate units to 79 feet in Triassic sedimentary units. Simulated base flows for five major streams were reduced by the amount of ground water withdrawn. Finally, again in October, maximum simulated declines in water-table altitude due to the combination of hypothetical drought and ground-water withdrawls ranged from 38 feet in carbonate units to 109 feet in Triassic sedimentary units. Due to aquifer dewatering, simulated declines were as much as 24 feet greater than the sum of the separate simulated declines that were caused by hypothetical drought and ground-water withdrawals. Some of the greatest simulated declines were in well fields, operated by three municipalities that experienced water-supply problems during the 1980-81 drought.

Achieving sustainable ground-water management by using GIS-integrated simulation tools: the EU H2020 FREEWAT platform

NASA Astrophysics Data System (ADS)

Rossetto, Rudy; De Filippis, Giovanna; Borsi, Iacopo; Foglia, Laura; Toegl, Anja; Cannata, Massimiliano; Neumann, Jakob; Vazquez-Sune, Enric; Criollo, Rotman

2017-04-01

In order to achieve sustainable and participated ground-water management, innovative software built on the integration of numerical models within GIS software is a perfect candidate to provide a full characterization of quantitative and qualitative aspects of ground- and surface-water resources maintaining the time and spatial dimension. The EU H2020 FREEWAT project (FREE and open source software tools for WATer resource management; Rossetto et al., 2015) aims at simplifying the application of EU water-related Directives through an open-source and public-domain, GIS-integrated simulation platform for planning and management of ground- and surface-water resources. The FREEWAT platform allows to simulate the whole hydrological cycle, coupling the power of GIS geo-processing and post-processing tools in spatial data analysis with that of process-based simulation models. This results in a modeling environment where large spatial datasets can be stored, managed and visualized and where several simulation codes (mainly belonging to the USGS MODFLOW family) are integrated to simulate multiple hydrological, hydrochemical or economic processes. So far, the FREEWAT platform is a large plugin for the QGIS GIS desktop software and it integrates the following capabilities: • the AkvaGIS module allows to produce plots and statistics for the analysis and interpretation of hydrochemical and hydrogeological data; • the Observation Analysis Tool, to facilitate the import, analysis and visualization of time-series data and the use of these data to support model construction and calibration; • groundwater flow simulation in the saturated and unsaturated zones may be simulated using MODFLOW-2005 (Harbaugh, 2005); • multi-species advective-dispersive transport in the saturated zone can be simulated using MT3DMS (Zheng & Wang, 1999); the possibility to simulate viscosity- and density-dependent flows is further accomplished through SEAWAT (Langevin et al., 2007); • sustainable management of combined use of ground- and surface-water resources in rural environments is accomplished by the Farm Process module embedded in MODFLOW-OWHM (Hanson et al., 2014), which allows to dynamically integrate crop water demand and supply from ground- and surface-water; • UCODE_2014 (Poeter et al., 2014) is implemented to perform sensitivity analysis and parameter estimation to improve the model fit through an inverse, regression method based on the evaluation of an objective function. Through creating a common environment among water research/professionals, policy makers and implementers, FREEWAT aims at enhancing science and participatory approach and evidence-based decision making in water resource management, hence producing relevant outcomes for policy implementation. Acknowledgements This paper is presented within the framework of the project FREEWAT, which has received funding from the European Union's HORIZON 2020 research and innovation programme under Grant Agreement n. 642224. References Hanson, R.T., Boyce, S.E., Schmid, W., Hughes, J.D., Mehl, S.M., Leake, S.A., Maddock, T., Niswonger, R.G. One-Water Hydrologic Flow Model (MODFLOW-OWHM), U.S. Geological Survey, Techniques and Methods 6-A51, 2014 134 p. Harbaugh A.W. (2005) - MODFLOW-2005, The U.S. Geological Survey Modular Ground-Water Model - the Ground-Water Flow Process. U.S. Geological Survey, Techniques and Methods 6-A16, 253 p. Langevin C.D., Thorne D.T. Jr., Dausman A.M., Sukop M.C. & Guo Weixing (2007) - SEAWAT Version 4: A Computer Program for Simulation of Multi-Species Solute and Heat Transport. U.S. Geological Survey Techniques and Methods 6-A22, 39 pp. Poeter E.P., Hill M.C., Lu D., Tiedeman C.R. & Mehl S. (2014) - UCODE_2014, with new capabilities to define parameters unique to predictions, calculate weights using simulated values, estimate parameters with SVD, evaluate uncertainty with MCMC, and more. Integrated Groundwater Modeling Center Report Number GWMI 2014-02. Rossetto, R., Borsi, I. & Foglia, L. FREEWAT: FREE and open source software tools for WATer resource management, Rendiconti Online Società Geologica Italiana, 2015, 35, 252-255. Zheng C. & Wang P.P. (1999) - MT3DMS, A modular three-dimensional multi-species transport model for simulation of advection, dispersion and chemical reactions of contaminants in groundwater systems. U.S. Army Engineer Research and Development Center Contract Report SERDP-99-1, Vicksburg, MS, 202 pp.

The One-Water Hydrologic Flow Model - The next generation in fully integrated hydrologic simulation software

NASA Astrophysics Data System (ADS)

Boyce, S. E.; Hanson, R. T.

2015-12-01

The One-Water Hydrologic Flow Model (MF-OWHM) is a MODFLOW-based integrated hydrologic flow model that is the most complete version, to date, of the MODFLOW family of hydrologic simulators needed for the analysis of a broad range of conjunctive-use issues. MF-OWHM fully links the movement and use of groundwater, surface water, and imported water for consumption by agriculture and natural vegetation on the landscape, and for potable and other uses within a supply-and-demand framework. MF-OWHM is based on the Farm Process for MODFLOW-2005 combined with Local Grid Refinement, Streamflow Routing, Surface-water Routing Process, Seawater Intrusion, Riparian Evapotranspiration, and the Newton-Raphson solver. MF-OWHM also includes linkages for deformation-, flow-, and head-dependent flows; additional observation and parameter options for higher-order calibrations; and redesigned code for facilitation of self-updating models and faster simulation run times. The next version of MF-OWHM, currently under development, will include a new surface-water operations module that simulates dynamic reservoir operations, the conduit flow process for karst aquifers and leaky pipe networks, a new subsidence and aquifer compaction package, and additional features and enhancements to enable more integration and cross communication between traditional MODFLOW packages. By retaining and tracking the water within the hydrosphere, MF-OWHM accounts for "all of the water everywhere and all of the time." This philosophy provides more confidence in the water accounting by the scientific community and provides the public a foundation needed to address wider classes of problems such as evaluation of conjunctive-use alternatives and sustainability analysis, including potential adaptation and mitigation strategies, and best management practices. By Scott E. Boyce and Randall T. Hanson

NutrientNet: An Internet-Based Approach to Teaching Market-Based Policy for Environmental Management

ERIC Educational Resources Information Center

Nguyen, To N.; Woodward, Richard T.

2009-01-01

NutrientNet is an Internet-based environment in which a class can simulate a market-based approach for improving water quality. In NutrientNet, each student receives a role as either a point source or a nonpoint source polluter, and then the participants are allowed to trade water quality credits to cost-effectively reduce pollution in a…

Effects of the Extended Water Retention Curve on Coupled Heat and Water Transport in the Vadose Zone

NASA Astrophysics Data System (ADS)

Yang, Z.; Mohanty, B.

2017-12-01

Understanding and simulating coupled heat and water transfer appropriately in the shallow subsurface is of vital significance for accurate prediction of soil evaporation that would improve the coupling between land surface and atmosphere. The theory of Philip and de Vries (1957) and its extensions (de Vries, 1958; Milly, 1982), although physically incomplete, are still adopted successfully to describe the coupled heat and water movement in field soils. However, the adsorptive water retention, which was ignored in Philip and de Vries theory and its extensions for characterizing soil hydraulic parameters, was shown to be non-negligible for soil moisture and evaporation flux calculation in dry field soils based on a recent synthetic analysis (Mohanty and Yang, 2013). In this study, we attempt to comprehensively investigate the effects of full range water retention curve on coupled heat and water transport simulation with a focus on soil moisture content, temperature and soil evaporative flux, based on two synthetic (sand and loam) and two field sites (Riverside, California and Audubon, Arizona) analysis. The results of synthetic sand and loam numerical modeling showed that when neglecting the adsorptive water retention, the resulting simulated soil water content would be larger, and the evaporative flux would be lower, respectively, compared to that obtained by the full range water retention curve mode. The simulated temperature did not show significant difference with or without accounting for adsorptive water retention. The evaporation underestimation when neglecting the adsorptive water retention is mainly caused by isothermal hydraulic conductivity underprediction. These synthetic findings were further corroborated by the Audubon, Arizona field site experimental results. The results from Riverside, California field experimental site showed that the soil surface can reach very dry status, although the soil profile below the drying front is not dry, which also to some extent justifies the necessity of employing full range water retention function in such generally not quite dry scenarios.

Comparing simple and complex approaches to simulate the impacts of soil water repellency on runoff and erosion in burnt Mediterranean forest slopes

NASA Astrophysics Data System (ADS)

Nunes, João Pedro; Catarina Simões Vieira, Diana; Keizer, Jan Jacob

2017-04-01

Fires impact soil hydrological properties, enhancing soil water repellency and therefore increasing the potential for surface runoff generation and soil erosion. In consequence, the successful application of hydrological models to post-fire conditions requires the appropriate simulation of the effects of soil water repellency on soil hydrology. This work compared three approaches to model soil water repellency impacts on soil hydrology in burnt eucalypt and pine forest slopes in central Portugal: 1) Daily approach, simulating repellency as a function of soil moisture, and influencing the maximum soil available water holding capacity. It is based on the Thornthwaite-Mather soil water modelling approach, and is parameterized with the soil's wilting point and field capacity, and a parameter relating soil water repellency with water holding capacity. It was tested with soil moisture data from burnt and unburnt hillslopes. This approach was able to simulate post-fire soil moisture patterns, which the model without repellency was unable to do. However, model parameters were different between the burnt and unburnt slopes, indicating that more research is needed to derive standardized parameters from commonly measured soil and vegetation properties. 2) Seasonal approach, pre-determining repellency at the seasonal scale (3 months) in four classes (from none to extreme). It is based on the Morgan-Morgan-Finney (MMF) runoff and erosion model, applied at the seasonal scale and is parameterized with a parameter relating repellency class with field capacity. It was tested with runoff and erosion data from several experimental plots, and led to important improvements on runoff prediction over an approach with constant field capacity for all seasons (calibrated for repellency effects), but only slight improvements in erosion predictions. In contrast with the daily approach, the parameters could be reproduced between different sites 3) Constant approach, specifying values for soil water repellency for the three years after the fire, and keeping them constant throughout the year. It is based on a daily Curve Number (CN) approach, and was incorporated directly in the Soil and Water Assessment Tool (SWAT) model and tested with erosion data from a burnt hillslope. This approach was able to successfully reproduce soil erosion. The results indicate that simplified approaches can be used to adapt existing models for post-fire simulation, taking repellency into account. Taking into account the seasonality of repellency seems more important to simulate surface runoff than erosion, possibly since simulating the larger runoff rates correctly is sufficient for erosion simulation. The constant approach can be applied directly in the parameterization of existing runoff and erosion models for soil loss and sediment yield prediction, while the seasonal approach can readily be developed as a next step, with further work being needed to assess if the approach and associated parameters can be applied in multiple post-fire environments.

Using a Process Based Model to Simulate the Effects of Drainage and Land Use Change on Hydrology, and Sediment and Nutrient Transport in the Midwestern United States

NASA Astrophysics Data System (ADS)

Downer, C. W.; Pradhan, N. R.; Skahill, B. E.; Wahl, M.; Turnbull, S. J.

2015-12-01

Historically the Midwestern United State was a region dominated by prairie grasses and wetlands. To make use of the rich soils underlying these fertile environments, farmers converted the land to agriculture and currently the Midwest is a region of intensive agricultural production, with agriculture being a predominant land use. The Midwest is a region of gentle slopes, tight soils, and high water tables, and in order to make the lands suitable for agriculture, farmers have installed extensive networks of ditches to drain off excess surface water and subsurface tiles to lower the water table and remove excess soil water in the root zone that can stress common row crops, such as corn and soybeans. The combination of tiles, ditches, and intensive agricultural land practices radically alters the landscape and hydrology. As part of the Minnesota River Basin Integrated Study we are simulating nested watersheds in a sub-basin of the Minnesota River Basin, Seven Mile Creek, using the physics-based watershed model GSSHA (Gridded Surface Subsurface Hydrologic Analysis) to simulate water, sediment, and nutrients. Representative of the larger basin, more than 80% of the land in the watershed is dedicated to agricultural practices. From a process perspective, the hydrology is complicated, with snow accumulation and melt, frozen soil, and tile drains all being important processes within the watershed. In this study we attempt to explicitly simulate these processes, including the tile drains, which are simulated as a network of subsurface pipes that collect water from the local water table. Within the watershed, tiles discharge to both the ditch/stream network as well as overland locations, where the tile discharge appears to initiate gullies and exacerbate overland erosion. Testing of the methods on smaller basins demonstrates the ability of the model to simulate measured tile flow. At the larger scale, the model demonstrates ability to simulate flow and sediments. Sparse nutrient data limit the assessment of nutrient simulations. The models are being used to asses an array of potential future land use scenarios, including predevelopment and increased agricultural use. Results from these simulations will be presented. Preliminary results indicate that tile drains increase discharge and erosion in the watershed.

Simulating Water Resource Disputes of Transboundary River: A Case Study of the Zhanghe River Basin, China

NASA Astrophysics Data System (ADS)

Yuan, Liang; He, Weijun; Liao, Zaiyi; Mulugeta Degefu, Dagmawi; An, Min; Zhang, Zhaofang

2018-01-01

Water resource disputes within transboundary river basin has been hindering the sustainable use of water resources and efficient management of environment. The problem is characterized by a complex information feedback loop that involves socio-economic and environmental systems. This paper presents a system dynamics based model that can simulate the dynamics of water demand, water supply, water adequacy and water allocation instability within a river basin. It was used for a case study in the Zhanghe River basin of China. The base scenario has been investigated for the time period between 2000 and 2050. The result shows that the Chinese national government should change the water allocation scheme of downstream Zhanghe River established in 1989, more water need to be allocated to the downstream cities and the actual allocation should be adjusted to reflect the need associated with the socio-economic and environmental changes within the region, and system dynamics improves the understanding of concepts and system interactions by offering a comprehensive and integrated view of the physical, social, economic, environmental, and political systems.

Incorporation of the TIP4P water model into a continuum solvent for computing solvation free energy

NASA Astrophysics Data System (ADS)

Yang, Pei-Kun

2014-10-01

The continuum solvent model is one of the commonly used strategies to compute solvation free energy especially for large-scale conformational transitions such as protein folding or to calculate the binding affinity of protein-protein/ligand interactions. However, the dielectric polarization for computing solvation free energy from the continuum solvent is different than that obtained from molecular dynamic simulations. To mimic the dielectric polarization surrounding a solute in molecular dynamic simulations, the first-shell water molecules was modeled using a charge distribution of TIP4P in a hard sphere; the time-averaged charge distribution from the first-shell water molecules were estimated based on the coordination number of the solute, and the orientation distribution of the first-shell waters and the intermediate water molecules were treated as that of a bulk solvent. Based on this strategy, an equation describing the solvation free energy of ions was derived.

Integrating the simulation of domestic water demand behaviour to an urban water model using agent based modelling

NASA Astrophysics Data System (ADS)

Koutiva, Ifigeneia; Makropoulos, Christos

2015-04-01

The urban water system's sustainable evolution requires tools that can analyse and simulate the complete cycle including both physical and cultural environments. One of the main challenges, in this regard, is the design and development of tools that are able to simulate the society's water demand behaviour and the way policy measures affect it. The effects of these policy measures are a function of personal opinions that subsequently lead to the formation of people's attitudes. These attitudes will eventually form behaviours. This work presents the design of an ABM tool for addressing the social dimension of the urban water system. The created tool, called Urban Water Agents' Behaviour (UWAB) model, was implemented, using the NetLogo agent programming language. The main aim of the UWAB model is to capture the effects of policies and environmental pressures to water conservation behaviour of urban households. The model consists of agents representing urban households that are linked to each other creating a social network that influences the water conservation behaviour of its members. Household agents are influenced as well by policies and environmental pressures, such as drought. The UWAB model simulates behaviour resulting in the evolution of water conservation within an urban population. The final outcome of the model is the evolution of the distribution of different conservation levels (no, low, high) to the selected urban population. In addition, UWAB is implemented in combination with an existing urban water management simulation tool, the Urban Water Optioneering Tool (UWOT) in order to create a modelling platform aiming to facilitate an adaptive approach of water resources management. For the purposes of this proposed modelling platform, UWOT is used in a twofold manner: (1) to simulate domestic water demand evolution and (2) to simulate the response of the water system to the domestic water demand evolution. The main advantage of the UWAB - UWOT model integration is that it allows the investigation of the effects of different water demand management strategies to an urban population's water demand behaviour and ultimately the effects of these policies to the volume of domestic water demand and the water resources system. The proposed modelling platform is optimised to simulate the effects of water policies during the Athens drought period of 1988-1994. The calibrated modelling platform is then applied to evaluate scenarios of water supply, water demand and water demand management strategies.

High-resolution Continental Scale Land Surface Model incorporating Land-water Management in United States

NASA Astrophysics Data System (ADS)

Shin, S.; Pokhrel, Y. N.

2016-12-01

Land surface models have been used to assess water resources sustainability under changing Earth environment and increasing human water needs. Overwhelming observational records indicate that human activities have ubiquitous and pertinent effects on the hydrologic cycle; however, they have been crudely represented in large scale land surface models. In this study, we enhance an integrated continental-scale land hydrology model named Leaf-Hydro-Flood to better represent land-water management. The model is implemented at high resolution (5km grids) over the continental US. Surface water and groundwater are withdrawn based on actual practices. Newly added irrigation, water diversion, and dam operation schemes allow better simulations of stream flows, evapotranspiration, and infiltration. Results of various hydrologic fluxes and stores from two sets of simulation (one with and the other without human activities) are compared over a range of river basin and aquifer scales. The improved simulations of land hydrology have potential to build consistent modeling framework for human-water-climate interactions.

Numerische Szenariosimulationen zur Ausbreitung von hochmineralisiertem Wasser in oberflächennahen Süßwasseraquiferen

NASA Astrophysics Data System (ADS)

Wiegers, Carla Elisabeth; Schäfer, Dirk

2015-06-01

In areas where the geological subsurface is used for storage of gases or fracking, there is a risk of saline formation water entering protected aquifers. The impact of such potential leakage therefore needs to be evaluated at relevant sites to develop practical monitoring concepts. Three-dimensional numerical simulations and a sensitivity analysis are performed to determine the influence of aquifer parameters, ground water flow, aquifer morphology, leakage rate and NaCl-concentration of the intruding water on the propagation behaviour of saline water. Two example scenarios were simulated based on a realistic site-scale conceptual model, one with water from the lower Braunkohlensande, (NaCl = 7.61 g/l) the other with saline water from the Bunter sandstone formation (NaCl = 280.3 g/l). The simulations show that saltwater migrates along the bottom of the aquifer, and that groundwater flow can dominate the transport of chloride. In this case the spreading of denser water is not influenced by the aquifer's morphology.

Research on the water-entry attitude of a submersible aircraft.

PubMed

Xu, BaoWei; Li, YongLi; Feng, JinFu; Hu, JunHua; Qi, Duo; Yang, Jian

2016-01-01

The water entry of a submersible aircraft, which is transient, highly coupled, and nonlinear, is complicated. After analyzing the mechanics of this process, the change rate of every variable is considered. A dynamic model is build and employed to study vehicle attitude and overturn phenomenon during water entry. Experiments are carried out and a method to organize experiment data is proposed. The accuracy of the method is confirmed by comparing the results of simulation of dynamic model and experiment under the same condition. Based on the analysis of the experiment and simulation, the initial attack angle and angular velocity largely influence the water entry of vehicle. Simulations of water entry with different initial and angular velocities are completed, followed by an analysis, and the motion law of vehicle is obtained. To solve the problem of vehicle stability and control during water entry, an approach is proposed by which the vehicle sails with a zero attack angle after entering water by controlling the initial angular velocity. With the dynamic model and optimization research algorithm, calculation is performed, and the optimal initial angular velocity of water-entry is obtained. The outcome of simulations confirms that the effectiveness of the propose approach by which the initial water-entry angular velocity is controlled.

[Simulation of water and carbon fluxes in harvard forest area based on data assimilation method].

PubMed

Zhang, Ting-Long; Sun, Rui; Zhang, Rong-Hua; Zhang, Lei

2013-10-01

Model simulation and in situ observation are the two most important means in studying the water and carbon cycles of terrestrial ecosystems, but have their own advantages and shortcomings. To combine these two means would help to reflect the dynamic changes of ecosystem water and carbon fluxes more accurately. Data assimilation provides an effective way to integrate the model simulation and in situ observation. Based on the observation data from the Harvard Forest Environmental Monitoring Site (EMS), and by using ensemble Kalman Filter algorithm, this paper assimilated the field measured LAI and remote sensing LAI into the Biome-BGC model to simulate the water and carbon fluxes in Harvard forest area. As compared with the original model simulated without data assimilation, the improved Biome-BGC model with the assimilation of the field measured LAI in 1998, 1999, and 2006 increased the coefficient of determination R2 between model simulation and flux observation for the net ecosystem exchange (NEE) and evapotranspiration by 8.4% and 10.6%, decreased the sum of absolute error (SAE) and root mean square error (RMSE) of NEE by 17.7% and 21.2%, and decreased the SAE and RMSE of the evapotranspiration by 26. 8% and 28.3%, respectively. After assimilated the MODIS LAI products of 2000-2004 into the improved Biome-BGC model, the R2 between simulated and observed results of NEE and evapotranspiration was increased by 7.8% and 4.7%, the SAE and RMSE of NEE were decreased by 21.9% and 26.3%, and the SAE and RMSE of evapotranspiration were decreased by 24.5% and 25.5%, respectively. It was suggested that the simulation accuracy of ecosystem water and carbon fluxes could be effectively improved if the field measured LAI or remote sensing LAI was integrated into the model.

Simulated water budget of a small forested watershed in the continental/maritime hydroclimatic region of the United States

Treesearch

Liang Wei; Timothy E. Link; Andrew T. Hudak; John D. Marshall; Kathleen L. Kavanagh; John T. Abatzoglou; Hang Zhou; Robert E. Pangle; Gerald N. Flerchinger

2016-01-01

Annual streamflows have decreased across mountain watersheds in the Pacific Northwest of the United States over the last ~70 years; however, in some watersheds, observed annual flows have increased. Physically based models are useful tools to reveal the combined effects of climate and vegetation on long-term water balances by explicitly simulating the internal...

A risk-based framework to assess long-term effects of policy and water supply changes on water resources systems

NASA Astrophysics Data System (ADS)

Hassanzadeh, Elmira; Elshorbagy, Amin; Wheater, Howard; Gober, Patricia

2015-04-01

Climate uncertainty can affect water resources availability and management decisions. Sustainable water resources management therefore requires evaluation of policy and management decisions under a wide range of possible future water supply conditions. This study proposes a risk-based framework to integrate water supply uncertainty into a forward-looking decision making context. To apply this framework, a stochastic reconstruction scheme is used to generate a large ensemble of flow series. For the Rocky Mountain basins considered here, two key characteristics of the annual hydrograph are its annual flow volume and the timing of the seasonal flood peak. These are perturbed to represent natural randomness and potential changes due to future climate. 30-year series of perturbed flows are used as input to the SWAMP model - an integrated water resources model that simulates regional water supply-demand system and estimates economic productivity of water and other sustainability indicators, including system vulnerability and resilience. The simulation results are used to construct 2D-maps of net revenue of a particular water sector; e.g., hydropower, or for all sectors combined. Each map cell represents a risk scenario of net revenue based on a particular annual flow volume, timing of the peak flow, and 200 stochastic realizations of flow series. This framework is demonstrated for a water resources system in the Saskatchewan River Basin (SaskRB) in Saskatchewan, Canada. Critical historical drought sequences, derived from tree-ring reconstructions of several hundred years of annual river flows, are used to evaluate the system's performance (net revenue risk) under extremely low flow conditions and also to locate them on the previously produced 2D risk maps. This simulation and analysis framework is repeated under various reservoir operation strategies (e.g., maximizing flood protection or maximizing water supply security); development proposals, such as irrigation expansion; and change in energy prices. Such risk-based analysis demonstrates relative reduction/increase of risk associated with management and policy decisions and allow decision makers to explore the relative importance of policy versus natural water supply change in a water resources system.

Ground-Water Flow in the Vicinity of the Ho-Chunk Nation Communities of Indian Mission and Sand Pillow, Jackson County, Wisconsin

USGS Publications Warehouse

Dunning, Charles P.; Mueller, Gregory D.; Juckem, Paul F.

2008-01-01

An analytic element ground-water-flow model was constructed to help understand the ground-water-flow system in the vicinity of the Ho-Chunk Nation communities of Indian Mission and Sand Pillow in Jackson County, Wisconsin. Data from interpretive reports, well-drillers' construction reports, and an exploratory augering program in 2003 indicate that sand and gravel of varying thickness (0-150 feet[ft]) and porous sandstone make up a composite aquifer that overlies Precambrian crystalline rock. The geometric mean values for horizontal hydraulic conductivity were estimated from specific-capacity data to be 61.3 feet per day (ft/d) for sand and gravel, 6.6 ft/d for sandstone, and 12.0 ft/d for the composite aquifer. A ground-water flow model was constructed, the near field of which encompassed the Levis and Morrison Creeks Watershed. The flow model was coupled to the parameter-estimation program UCODE to obtain a best fit between simulated and measured values of ground-water levels and estimated Q50 flow duration (base flow). Calibration of the model with UCODE provided a ground-water recharge rate of 9 inches per year and a horizontal hydraulic conductivity of 13 ft/d for the composite aquifer. Using these calibrated parameter values, simulated heads from the model were on average within 5 ft of the measured water levels. In addition, these parameter values provided an acceptable base-flow calibration for Hay, Dickey, and Levis Creeks; the calibration was particularly close for Levis Creek, which was the most frequently measured stream in the study area. The calibrated model was used to simulate ground-water levels and to determine the direction of ground-water flow in the vicinity of Indian Mission and Sand Pillow communities. Backward particle tracking was conducted for Sand Pillow production wells under two pumping simulations to determine their 20-year contributing areas. In the first simulation, new production wells 6, 7, and 8 were each pumped at 50 gallons per minute (gal/min). In the second simulation, new production wells 6, 7, and 8 and existing production well 5 were each pumped at 50 gal/min. The second simulation demonstrated interference between the existing production well 5 and the new production wells when all were pumping at 50 gal/min.

Water Resources Investigations at Edwards Air Force Base since 1988

USGS Publications Warehouse

Sneed, Michelle; Nishikawa, Tracy; Martin, Peter

2006-01-01

Edwards Air Force Base (EAFB) in southern California (fig. 1) has relied on ground water to meet its water-supply needs. The extraction of ground water has led to two major problems that can directly affect the mission of EAFB: declining water levels (more than 120 ft since the 1920s) and land subsidence, a gradual downward movement of the land surface (more than 4 ft since the late 1920s). As water levels decline, this valuable resource becomes depleted, thus requiring mitigating measures. Land subsidence has caused cracked (fissured) runways and accelerated erosion on Rogers lakebed. In 1988, the U.S. Geological Survey (USGS), in cooperation with the U.S. Air Force, began investigations of the effects of declining water levels and land subsidence at EAFB and possible mitigation measures, such as the injection of imported surface water into the ground-water system. The cooperative investigations included data collection and analyses, numerical simulations of ground-water flow and land subsidence, and development of a preliminary simulation-optimization model. The results of these investigations indicate that the injection of imported water may help to control land subsidence; however, the potential ground-water-quality impacts are unknown.

ALEXI analysis of water consumption in the Nile Basin

USDA-ARS?s Scientific Manuscript database

Remote sensing can be used to generate diagnostic estimates of evapotranspiration (ET) that provide information regarding consumptive water use across landscapes. These satellite-based assessments can be a valuable complement to prognostic simulations of basin-scale water budgets, providing an inde...

Design of virtual SCADA simulation system for pressurized water reactor

NASA Astrophysics Data System (ADS)

Wijaksono, Umar; Abdullah, Ade Gafar; Hakim, Dadang Lukman

2016-02-01

The Virtual SCADA system is a software-based Human-Machine Interface that can visualize the process of a plant. This paper described the results of the virtual SCADA system design that aims to recognize the principle of the Nuclear Power Plant type Pressurized Water Reactor. This simulation uses technical data of the Nuclear Power Plant Unit Olkiluoto 3 in Finland. This device was developed using Wonderware Intouch, which is equipped with manual books for each component, animation links, alarm systems, real time and historical trending, and security system. The results showed that in general this device can demonstrate clearly the principles of energy flow and energy conversion processes in Pressurized Water Reactors. This virtual SCADA simulation system can be used as instructional media to recognize the principle of Pressurized Water Reactor.

Effects of optimized root water uptake parameterization schemes on water and heat flux simulation in a maize agroecosystem

NASA Astrophysics Data System (ADS)

Cai, Fu; Ming, Huiqing; Mi, Na; Xie, Yanbing; Zhang, Yushu; Li, Rongping

2017-04-01

As root water uptake (RWU) is an important link in the water and heat exchange between plants and ambient air, improving its parameterization is key to enhancing the performance of land surface model simulations. Although different types of RWU functions have been adopted in land surface models, there is no evidence as to which scheme most applicable to maize farmland ecosystems. Based on the 2007-09 data collected at the farmland ecosystem field station in Jinzhou, the RWU function in the Common Land Model (CoLM) was optimized with scheme options in light of factors determining whether roots absorb water from a certain soil layer ( W x ) and whether the baseline cumulative root efficiency required for maximum plant transpiration ( W c ) is reached. The sensibility of the parameters of the optimization scheme was investigated, and then the effects of the optimized RWU function on water and heat flux simulation were evaluated. The results indicate that the model simulation was not sensitive to W x but was significantly impacted by W c . With the original model, soil humidity was somewhat underestimated for precipitation-free days; soil temperature was simulated with obvious interannual and seasonal differences and remarkable underestimations for the maize late-growth stage; and sensible and latent heat fluxes were overestimated and underestimated, respectively, for years with relatively less precipitation, and both were simulated with high accuracy for years with relatively more precipitation. The optimized RWU process resulted in a significant improvement of CoLM's performance in simulating soil humidity, temperature, sensible heat, and latent heat, for dry years. In conclusion, the optimized RWU scheme available for the CoLM model is applicable to the simulation of water and heat flux for maize farmland ecosystems in arid areas.

Simulation of groundwater flow and hydrologic effects of groundwater withdrawals from the Kirkwood-Cohansey aquifer system in the Pinelands of southern New Jersey

USGS Publications Warehouse

Charles, Emmanuel; Nicholson, Robert S.

2012-01-01

The Kirkwood-Cohansey aquifer system is an important source of present and future water supply in southern New Jersey. Because this unconfined aquifer system also supports sensitive wetland and aquatic habitats within the New Jersey Pinelands (Pinelands), water managers and policy makers need up-to-date information, data, and projections that show the effects of potential increases in groundwater withdrawals on these habitats. Finite-difference groundwater flow models (MODFLOW) were constructed for three drainage basins (McDonalds Branch Basin, 14.3 square kilometers (km2); Morses Mill Stream Basin, 21.63 km2; and Albertson Brook Basin, 52.27 km2) to estimate the effects of potential increases in groundwater withdrawals on water levels and the base-flow portion of streamflow, in wetland and aquatic habitats. Three models were constructed for each drainage basin: a transient model consisting of twenty-four 1-month stress periods (October 2004 through September 2006); a transient model to simulate the 5- to 10-day aquifer tests that were performed as part of the study; and a high-resolution, steady-state model used to assess long-term effects of increased groundwater withdrawals on water levels in wetlands and on base flow. All models were constructed with the same eight-layer structure. The smallest horizontal cell dimensions among the three model areas were 150 meters (m) for the 24-month transient models, 10 m for the steady-state models, and 3 m for the transient aquifer-test models. Boundary flows of particular interest to this study and represented separately are those for wetlands, streams, and evapotranspiration. The final variables calibrated from both transient models were then used in steady-state models to assess the long-term effects of increased groundwater withdrawals on water levels in wetlands and on base flow. Results of aquifer tests conducted in the three study areas illustrate the effects of withdrawals on water levels in wetlands and on base flow. Pumping stresses at aquifer-test sites resulted in measurable drawdown in each observation well installed for the tests. The magnitude of drawdown in shallow wetland observation wells at the end of pumping ranged from 5.5 to 16.7 centimeters (cm). The stresses induced by the respective tests reduced the flow of the smallest stream (McDonalds Branch) by 75 percent and slightly reduced flow in a side channel of Morses Mill Stream, but did not measurably affect the flow of Morses Mill Stream or Albertson Brook. Results of aquifer-test simulations were used to refine the estimates of hydraulic properties used in the models and to confirm the ability of the model to replicate observed hydrologic responses to pumping. Steady-state sensitivity simulation results for a variety of single well locations and depths were used to define overall “best-case” (smallest effect on wetland water levels and base flow) and “worst-case” (greatest effect on wetland water levels and base flow) groundwater withdrawal configurations. “Best-case” configurations are those for which the extent of the wetland areas within a 1-kilometer (km) radius of the withdrawal well is minimized, the well is located at least 100 m and as far from wetland boundaries as possible, and the withdrawal is from a deep well (50–90 m deep). “Worst-case” configurations are those for which the extent of wetlands within a 1-km radius of the withdrawal well is maximized, the well is located 100 m or less from a wetland boundary, and the withdrawal is from a relatively shallow well (30–67 m deep). “Best-” and “worst-case” simulations were applied by locating hypothetical wells across the study areas and assigning groundwater withdrawals so that the sum of the withdrawals for the basin is equal to 5, 10, 15, and 30 percent of overall recharge. The results were compared to the results of simulations of no groundwater withdrawals. Results for withdrawals of 5 percent of recharge show that the area of wetland water-level decline that exceeded 15 cm was as much as 1.5 percent of the total wetland area for the “best-case” simulations and as much as 9.7 percent of the total wetland area for the “worst-case” simulations. For the same withdrawals, base-flow reduction was as much as 5.1 percent for the “best-case” simulations and as much as 8.6 percent for the “worst-case” simulations. Results for withdrawals of 30 percent of recharge show that the area of wetland water-level decline that exceeded 15 cm was as much as 70 percent of the total wetland area for the “best-case” simulations and as much as 84 percent of the total wetland area for the “worst-case” simulations. For the same withdrawals, base-flow reduction was as much as 30 percent for the “best-case” simulations and as much as 51 percent for the “worst-case” simulations. Results for withdrawals of 10 and 15 percent of recharge show decreased water levels and base flow that are intermediate between those simulated for 5 and 30 percent of recharge. Several approaches for applying the results of this study to other parts of the Pinelands were explored. An analytical-modeling technique based on the Thiem equation and image-well theory was developed to estimate local drawdown distributions resulting from withdrawals in other areas within the Pinelands. Results of example applications of this technique were compared with those of the numerical simulations used in this study and were shown to be useful. Differences among the three basins in the simulated percentage of basin wetlands affected by drawdown were found to be related to the proximity of wetlands to streams, the proximity of wetlands to pumped wells, and the vertical conductance of the aquifer system. These factors formed the basis for an index of wetland vulnerability to drawdown. An empirically-derived model based on the Gompertz function and the wetland vulnerability index was developed, tested, and shown to be an effective means to evaluate potential drawdown in wetlands at a basin scale throughout the Pinelands. Base-flow reduction can be estimated from generalized results of the numerical models, estimates of evapotranspiration reduction, or available regional groundwater flow models. These approaches could be used to evaluate alternative water-supply strategies and, in conjunction with ecological-modeling results, to determine maximum basin withdrawal rates within the limits of acceptable ecological change.

A scaled-ionic-charge simulation model that reproduces enhanced and suppressed water diffusion in aqueous salt solutions.

PubMed

Kann, Z R; Skinner, J L

2014-09-14

Non-polarizable models for ions and water quantitatively and qualitatively misrepresent the salt concentration dependence of water diffusion in electrolyte solutions. In particular, experiment shows that the water diffusion coefficient increases in the presence of salts of low charge density (e.g., CsI), whereas the results of simulations with non-polarizable models show a decrease of the water diffusion coefficient in all alkali halide solutions. We present a simple charge-scaling method based on the ratio of the solvent dielectric constants from simulation and experiment. Using an ion model that was developed independently of a solvent, i.e., in the crystalline solid, this method improves the water diffusion trends across a range of water models. When used with a good-quality water model, e.g., TIP4P/2005 or E3B, this method recovers the qualitative behaviour of the water diffusion trends. The model and method used were also shown to give good results for other structural and dynamic properties including solution density, radial distribution functions, and ion diffusion coefficients.

Hindcast of water availability in regional aquifer systems using MODFLOW Farm Process

USGS Publications Warehouse

Schmid, Wolfgang; Hanson, Randall T.; Faunt, Claudia C.; Phillips, Steven P.

2015-01-01

Coupled groundwater and surface-water components of the hydrologic cycle can be simulated by the Farm Process for MODFLOW (MF-FMP) in both irrigated and non-irrigated areas and aquifer-storage and recovery systems. MF-FMP is being applied to three productive agricultural regions of different scale in the State of California, USA, to assess the availability of water and the impacts of alternative management decisions. Hindcast simulations are conducted for similar periods from the 1960s to near recent times. Historical groundwater pumpage is mostly unknown in one region (Central Valley) and is estimated by MF-FMP. In another region (Pajaro Valley), recorded pumpage is used to calibrate model-estimated pumpage. Multiple types of observations are used to estimate uncertain parameters, such as hydraulic, land-use, and farm properties. MF-FMP simulates how climate variability and water-import availability affect water demand and supply. MF-FMP can be used to predict water availability based on anticipated changes in anthropogenic or natural water demands. Keywords groundwater; surface-water; irrigation; water availability; response to climate variability/change

Enhanced intelligent water drops algorithm for multi-depot vehicle routing problem

PubMed Central

Akutsah, Francis; Olusanya, Micheal O.; Adewumi, Aderemi O.

2018-01-01

The intelligent water drop algorithm is a swarm-based metaheuristic algorithm, inspired by the characteristics of water drops in the river and the environmental changes resulting from the action of the flowing river. Since its appearance as an alternative stochastic optimization method, the algorithm has found applications in solving a wide range of combinatorial and functional optimization problems. This paper presents an improved intelligent water drop algorithm for solving multi-depot vehicle routing problems. A simulated annealing algorithm was introduced into the proposed algorithm as a local search metaheuristic to prevent the intelligent water drop algorithm from getting trapped into local minima and also improve its solution quality. In addition, some of the potential problematic issues associated with using simulated annealing that include high computational runtime and exponential calculation of the probability of acceptance criteria, are investigated. The exponential calculation of the probability of acceptance criteria for the simulated annealing based techniques is computationally expensive. Therefore, in order to maximize the performance of the intelligent water drop algorithm using simulated annealing, a better way of calculating the probability of acceptance criteria is considered. The performance of the proposed hybrid algorithm is evaluated by using 33 standard test problems, with the results obtained compared with the solutions offered by four well-known techniques from the subject literature. Experimental results and statistical tests show that the new method possesses outstanding performance in terms of solution quality and runtime consumed. In addition, the proposed algorithm is suitable for solving large-scale problems. PMID:29554662

Enhanced intelligent water drops algorithm for multi-depot vehicle routing problem.

PubMed

Ezugwu, Absalom E; Akutsah, Francis; Olusanya, Micheal O; Adewumi, Aderemi O

2018-01-01

The intelligent water drop algorithm is a swarm-based metaheuristic algorithm, inspired by the characteristics of water drops in the river and the environmental changes resulting from the action of the flowing river. Since its appearance as an alternative stochastic optimization method, the algorithm has found applications in solving a wide range of combinatorial and functional optimization problems. This paper presents an improved intelligent water drop algorithm for solving multi-depot vehicle routing problems. A simulated annealing algorithm was introduced into the proposed algorithm as a local search metaheuristic to prevent the intelligent water drop algorithm from getting trapped into local minima and also improve its solution quality. In addition, some of the potential problematic issues associated with using simulated annealing that include high computational runtime and exponential calculation of the probability of acceptance criteria, are investigated. The exponential calculation of the probability of acceptance criteria for the simulated annealing based techniques is computationally expensive. Therefore, in order to maximize the performance of the intelligent water drop algorithm using simulated annealing, a better way of calculating the probability of acceptance criteria is considered. The performance of the proposed hybrid algorithm is evaluated by using 33 standard test problems, with the results obtained compared with the solutions offered by four well-known techniques from the subject literature. Experimental results and statistical tests show that the new method possesses outstanding performance in terms of solution quality and runtime consumed. In addition, the proposed algorithm is suitable for solving large-scale problems.

Simulating and predicting snow and glacier meltwater to the runoff of the Upper Mekong River basin in Southwest China

NASA Astrophysics Data System (ADS)

Han, Z.; Long, D.; Hong, Y.

2017-12-01

Snow and glacier meltwater in cryospheric regions replenishes groundwater and reservoir storage and is critical to water supply, hydropower development, agricultural irrigation, and ecological integrity. Accurate simulating and predicting snow and glacier meltwater is therefore fundamental to develop a better understanding of hydrological processes and water resource management for alpine basins and its lower reaches. The Upper Mekong River (or the Lancang River in China) as one of the most important transboundary rivers originating from the Tibetan Plateau (TP), features active dam construction and complicated water resources allocation of the stakeholders. Confronted by both climate change and significant human activities, it is imperative to examine contributions of snow and glacier meltwater to the total runoff and how it will change in the near future. This will greatly benefit hydropower development in the upper reach of the Mekong and better water resources allocation and management across the relevant countries. This study aims to improve snowfall and snow water equivalent (SWE) simulation using improved methods, and combines both modeling skill and remote sensing (i.e., passive microwave-based SWE, and satellite gravimetry-based total water storage) to quantify the contributions of snow and glacier meltwater there. In addition, the runoff of the Lancang River under a range of climate change scenarios is simulated using the improved modeling scheme to evaluate how climate change will impact hydropower development in the upper reaches.

Modelling deep-water formation in the north-west Mediterranean Sea with a new air-sea coupled model: sensitivity to turbulent flux parameterizations

NASA Astrophysics Data System (ADS)

Seyfried, Léo; Marsaleix, Patrick; Richard, Evelyne; Estournel, Claude

2017-12-01

In the north-western Mediterranean, the strong, dry, cold winds, the Tramontane and Mistral, produce intense heat and moisture exchange at the interface between the ocean and the atmosphere leading to the formation of deep dense waters, a process that occurs only in certain regions of the world. The purpose of this study is to demonstrate the ability of a new coupled ocean-atmosphere modelling system based on MESONH-SURFEX-SYMPHONIE to simulate a deep-water formation event in real conditions. The study focuses on summer 2012 to spring 2013, a favourable period that is well documented by previous studies and for which many observations are available. Model results are assessed through detailed comparisons with different observation data sets, including measurements from buoys, moorings and floats. The good overall agreement between observations and model results shows that the new coupled system satisfactorily simulates the formation of deep dense water and can be used with confidence to study ocean-atmosphere coupling in the north-western Mediterranean. In addition, to evaluate the uncertainty associated with the representation of turbulent fluxes in strong wind conditions, several simulations were carried out based on different parameterizations of the flux bulk formulas. The results point out that the choice of turbulent flux parameterization strongly influences the simulation of the deep-water convection and can modify the volume of the newly formed deep water by a factor of 2.

Simulated effects of development on regional ground-water/surface-water interactions in the northern Coastal Plain of New Jersey

NASA Astrophysics Data System (ADS)

Pucci, Amleto A.; Pope, Daryll A.

1995-05-01

Stream flow in the Coastal Plain of New Jersey is primarily controlled by ground-water discharge. Ground-water flow in a 400 square mile area (1035 km 2) of the Potomac-Raritan-Magothy aquifer system (PRMA) in the northern Coastal Plain of New Jersey was simulated to examine development effects on water resources. Simulations showed that historical development caused significant capture of regional ground-water discharge to streams and wetlands. The Cretaceous PRMA primarily is composed of fine to coarse sand, clays and silts which form the Upper and Middle aquifers and their confining units. The aquifer outcrops are the principal areas of recharge and discharge for the regional flow system and have many traversing streams and surface-water bodies. A quasi-three-dimensional numerical model that incorporated ground-water/surface-water interactions and boundary flows from a larger regional model was used to represent the PRMA. To evaluate the influence of ground-water development on interactions in different areas, hydrogeologically similar and contiguous model stream cells were aggregated as 'stream zones'. The model representation of surface-water and ground-water interaction was limited in the areas of confining unit outcrops and because of this, simulated ground-water discharge could not be directly compared with base flow. Significant differences in simulated ground-water and surface-water interactions between the predevelopment and developed system, include; (1) redistribution of recharge and discharge areas; (2) reduced ground-water discharge to streams. In predevelopment, the primary discharge for the Upper and Middle aquifers is to low-lying streams and wetlands; in the developed system, the primary discharge is to ground-water withdrawals. Development reduces simulated ground-water discharge to streams in the Upper Aquifer from 61.4 to 10% of the Upper Aquifer hydrologic budget (28.9%, if impounded stream flow is included). Ground-water discharge to streams in the Middle Aquifer decreases from 80.0 to 22% of the Middle Aquifer hydrologic budget. The utility of assessing ground-water/surface-water interaction in a regional hydrogeologic system by simulation responses to development is demonstrated and which can compensate for lack of long-term stream-gaging data in determining management decisions.

Dynamic Stabilization of Metal Oxide–Water Interfaces

DOE Office of Scientific and Technical Information (OSTI.GOV)

McBriarty, Martin E.; von Rudorff, Guido Falk; Stubbs, Joanne E.

2017-02-08

The interaction of water with metal oxide surfaces plays a crucial role in the catalytic and geochemical behavior of metal oxides. In a vast majority of studies, the interfacial structure is assumed to arise from a relatively static lowest energy configuration of atoms, even at room temperature. Using hematite (α-Fe2O3) as a model oxide, we show through a direct comparison of in situ synchrotron X-ray scattering with density functional theory-based molecular dynamics simulations that the structure of the (1102) termination is dynamically stabilized by picosecond water exchange. Simulations show frequent exchanges between terminal aquo groups and adsorbed water in locationsmore » and with partial residence times consistent with experimentally determined atomic sites and fractional occupancies. Frequent water exchange occurs even for an ultrathin adsorbed water film persisting on the surface under a dry atmosphere. The resulting time-averaged interfacial structure consists of a ridged lateral arrangement of adsorbed water molecules hydrogen bonded to terminal aquo groups. Surface pKa prediction based on bond valence analysis suggests that water exchange will influence the proton-transfer reactions underlying the acid/base reactivity at the interface. Our findings provide important new insights for understanding complex interfacial chemical processes at metal oxide–water interfaces.« less

Effects of Potential Future Warming on Runoff in the Yakima River Basin, Washington

USGS Publications Warehouse

Mastin, Mark C.

2008-01-01

The Bureau of Reclamation has implemented a long-term planning study of potential water-storage alternatives in the Yakima River Basin, which includes planning for climate change effects on available water resources in the basin. Previously constructed watershed models for the Yakima River Basin were used to simulate changes in unregulated streamflow under two warmer climate scenarios, one representing a 1 degree C increase in the annual air temperature over current conditions (plus one scenario) and one representing a 2 degree C increase in the annual air temperature over current conditions (plus two scenario). Simulations were done for water years 1981 through 2005 and the results were compared to simulated unregulated runoff for the same period using recorded daily precipitation, and minimum and maximum air temperatures (base conditions). Precipitation was not altered for the two warmer climate change scenarios. Simulated annual runoff for the plus one and plus two scenarios decreased modestly from the base conditions, but the seasonal distribution and the general pattern of runoff proved to be highly sensitive to temperature changes throughout the basin. Seasonally increased runoff was simulated during the late autumn and winter months for both the plus one and plus two scenarios compared to base conditions. Comparisons at six principal regulatory locations in the basin showed that the maximum percentage increases in runoff over the base conditions during December to March varied from 24 to 48 percent for the plus one scenario and 59 to 94 percent for the plus two scenario. During late spring and summer months, significantly decreased runoff was simulated at these sites for both scenarios compared to base conditions. Simulated maximum decreases in runoff occurred during June and July, and the changes ranged from -22 to -51 percent for the plus one scenario and -44 to -76 percent for the plus two scenario. Differences in total annual runoff at these sites ranged from -1.4 to -3.9 percent for the plus one scenario and from -2.5 to -8.2 percent for the plus two scenario. The percent change of the monthly mean runoff for both scenarios from the base conditions at many points in the basin will be used in a water-management model developed by the Bureau of Reclamation to assess various storage alternatives.

Influence of mesh structure on 2D full shallow water equations and SCS Curve Number simulation of rainfall/runoff events

NASA Astrophysics Data System (ADS)

Caviedes-Voullième, Daniel; García-Navarro, Pilar; Murillo, Javier

2012-07-01

SummaryHydrological simulation of rain-runoff processes is often performed with lumped models which rely on calibration to generate storm hydrographs and study catchment response to rain. In this paper, a distributed, physically-based numerical model is used for runoff simulation in a mountain catchment. This approach offers two advantages. The first is that by using shallow-water equations for runoff flow, there is less freedom to calibrate routing parameters (as compared to, for example, synthetic hydrograph methods). The second, is that spatial distributions of water depth and velocity can be obtained. Furthermore, interactions among the various hydrological processes can be modeled in a physically-based approach which may depend on transient and spatially distributed factors. On the other hand, the undertaken numerical approach relies on accurate terrain representation and mesh selection, which also affects significantly the computational cost of the simulations. Hence, we investigate the response of a gauged catchment with this distributed approach. The methodology consists of analyzing the effects that the mesh has on the simulations by using a range of meshes. Next, friction is applied to the model and the response to variations and interaction with the mesh is studied. Finally, a first approach with the well-known SCS Curve Number method is studied to evaluate its behavior when coupled with a shallow-water model for runoff flow. The results show that mesh selection is of great importance, since it may affect the results in a magnitude as large as physical factors, such as friction. Furthermore, results proved to be less sensitive to roughness spatial distribution than to mesh properties. Finally, the results indicate that SCS-CN may not be suitable for simulating hydrological processes together with a shallow-water model.

Water uptake efficiency of a maize plant - A simulation case study

NASA Astrophysics Data System (ADS)

Meunier, Félicien; Leitner, Daniel; Bodner, Gernot; Javaux, Mathieu; Schnepf, Andrea

2014-05-01

Water uptake by plant roots is a complex mechanism controlled by biological and physical properties of the soil-plant-atmosphere system and affects a major component of the water cycle, transpiration. This uptake of water by plants is one of the major factors of plant development. Since water uptake occurs at the roots, root architecture and hydraulic properties both play a crucial role in plant productivity. A fundamental understanding of the main processes of water uptake will enable better breeding of drought resistant plants and the improvement of irrigation strategies. In this work we analyzed the differences of root water uptake between idealized genotypes of a plant using mathematical modelling The numerical simulations were performed by the R-SWMS software (Javaux et al., 2008). The model describes 3-D water movement in soil by solving Richard's equation with a sink term representing root uptake. Water flow within the root xylem network and between soil and root is modelled based on water pressure gradients and calculated according to Doussan's model. The sink term is calculated by integration of local uptakes within rooted representative elementary volumes of soil. The plant water demand is described by a boundary condition at the base of the shoot. We compare the water uptake efficiency of three types of root system architectures of a maize plant. Two are actual architectures from genotypes showing significant differences regarding the internodal distance, the root growth rate and the insertion angle of their primary roots. The third one is an ideotype according to Lynch of the maize plant designed to perform better in one dry environment. We generated with RootBox five repetitions of these three root systems with the same total root volume and simulated two drought scenarios at the flowering stage (lack of water at the top or at the bottom of the soil domain). We did these simulations for two distinct distributions of local conductivities of root segments based on literature values. This numerical experiment shows significantly different behaviors of the root systems in terms of dynamics of the water uptake, duration of the water stress or cumulative transpiration. The ranking of the maize architectures varied according to the considered drought scenario. The performance of a root system depends on the environment and on its hydraulic architecture suggesting that we always need to take the genotype-environment interaction into account for recommending breeding options. This study also shows that an ideotype must be built for one specific environment: the one we created experienced difficulties to transpire when placed in different conditions it has been designed for. By mathematical simulation we increased the understanding of the most important underlying processes governing water uptake in a root system.

Development of a comprehensive watershed model applied to study stream yield under drought conditions

USGS Publications Warehouse

Perkins, S.P.; Sophocleous, M.

1999-01-01

We developed a model code to simulate a watershed's hydrology and the hydraulic response of an interconnected stream-aquifer system, and applied the model code to the Lower Republican River Basin in Kansas. The model code links two well-known computer programs: MODFLOW (modular 3-D flow model), which simulates ground water flow and stream-aquifer interaction; and SWAT (soil water assessment tool), a soil water budget simulator for an agricultural watershed. SWAT represents a basin as a collection of subbasins in terms of soil, land use, and weather data, and simulates each subbasin on a daily basis to determine runoff, percolation, evaporation, irrigation, pond seepages and crop growth. Because SWAT applies a lumped hydrologic model to each subbasin, spatial heterogeneities with respect to factors such as soil type and land use are not resolved geographically, but can instead be represented statistically. For the Republican River Basin model, each combination of six soil types and three land uses, referred to as a hydrologic response unit (HRU), was simulated with a separate execution of SWAT. A spatially weighted average was then taken over these results for each hydrologic flux and time step by a separate program, SWBAVG. We wrote a package for MOD-FLOW to associate each subbasin with a subset of aquifer grid cells and stream reaches, and to distribute the hydrologic fluxes given for each subbasin by SWAT and SWBAVG over MODFLOW's stream-aquifer grid to represent tributary flow, surface and ground water diversions, ground water recharge, and evapotranspiration from ground water. The Lower Republican River Basin model was calibrated with respect to measured ground water levels, streamflow, and reported irrigation water use. The model was used to examine the relative contributions of stream yield components and the impact on stream yield and base flow of administrative measures to restrict irrigation water use during droughts. Model results indicate that tributary flow is the dominant component of stream yield and that reduction of irrigation water use produces a corresponding increase in base flow and stream yield. However, the increase in stream yield resulting from reduced water use does not appear to be of sufficient magnitude to restore minimum desirable streamflows.

Simulating farmer behaviour under water markets

NASA Astrophysics Data System (ADS)

Padula, SIlvia; Erfani, Tohid; Henriques, Catarina; Maziotis, Alexandros; Garbe, Jennifer; Swinscoe, Thomas; Harou, Julien; Weatherhead, Keith; Beevers, Lindsay; Fleskens, Luuk

2015-04-01

Increasing water scarcity may lead water managers to consider alternative approaches to water allocation including water markets. One concern with markets is how will specific sectors interact with a potential water market, when will they gain or loose water and will they benefit economically - why, when and how? The behaviours of different individual abstractors or institutional actors under water markets is of interest to regulators who seek to design effective market policies which satisfy multiple stakeholder groups. In this study we consider two dozen agricultural water users in eastern England (Nar basin). Using partially synthetic but regionally representative cropping and irrigation data we simulate the buying and selling behaviour of farmers on a weekly basis over multiple years. The impact of on-farm water storage is assessed for farmers who own a reservoir. A river-basin-scale hydro-economic multi-agent model is used that represents individual abstractors and can simulate a spot market under various licensing regimes. Weekly varying economic demand curves for water are calibrated based on historical climate and water use data. The model represents the trade-off between current use value and expected gains from trade to reach weekly decisions. Early results are discussed and model limitations and possible extensions are presented.

Changes in the relation between snow station observations and basin scale snow water resources

NASA Astrophysics Data System (ADS)

Sexstone, G. A.; Penn, C. A.; Clow, D. W.; Moeser, D.; Liston, G. E.

2017-12-01

Snow monitoring stations that measure snow water equivalent or snow depth provide fundamental observations used for predicting water availability and flood risk in mountainous regions. In the western United States, snow station observations provided by the Natural Resources Conservation Service Snow Telemetry (SNOTEL) network are relied upon for forecasting spring and summer streamflow volume. Streamflow forecast accuracy has declined for many regions over the last several decades. Changes in snow accumulation and melt related to climate, land use, and forest cover are not accounted for in current forecasts, and are likely sources of error. Therefore, understanding and updating relations between snow station observations and basin scale snow water resources is crucial to improve accuracy of streamflow prediction. In this study, we investigated the representativeness of snow station observations when compared to simulated basin-wide snow water resources within the Rio Grande headwaters of Colorado. We used the combination of a process-based snow model (SnowModel), field-based measurements, and remote sensing observations to compare the spatiotemporal variability of simulated basin-wide snow accumulation and melt with that of SNOTEL station observations. Results indicated that observations are comparable to simulated basin-average winter precipitation but overestimate both the simulated basin-average snow water equivalent and snowmelt rate. Changes in the representation of snow station observations over time in the Rio Grande headwaters were also investigated and compared to observed streamflow and streamflow forecasting errors. Results from this study provide important insight in the context of non-stationarity for future water availability assessments and streamflow predictions.

Geohydrology, water quality, and simulation of ground-water flow in the vicinity of a former waste-oil refinery near Westville, Indiana, 1997-2000

USGS Publications Warehouse

Duwelius, Richard F.; Yeskis, Douglas J.; Wilson, John T.; Robinson, Bret A.

2002-01-01

A three-dimensional, four layer groundwater- flow model was constructed and calibrated to match ground-water levels and streamflow measured during December 1997. The model was used to simulate possible mechanisms of contaminant release, the effect of increased pumpage from water-supply wells, and pumping at the leading edge of the plume as a possible means of remediation. Based on simulation of threewaste-oil lagoons, a vertical hydraulic conductivity of 0.2 feet per day was required to move contaminants into the bottom layer of the model at a constant leakage rate of about 98 gallons per minute. Simulations of a disposal well in layer 3 of the model indicated an injection rate of 50 gallons per minute was necessary to spread contaminants vertically in the aquifer. Simulated pumping rates of about 300 and 1,000 gallons per minute were required for watersupply wells at the Town of Westville and the Westville Correctional Facility to draw water from the plume of 1,4-dioxane. Simulated pumping from hypothetical wells at the leading edge of the plume indicated that three wells, each pumping 25 gallons per minute from model layer 3, would capture the plume of 1,4-dioxane.

Modifying a dynamic global vegetation model for simulating large spatial scale land surface water balance

NASA Astrophysics Data System (ADS)

Tang, G.; Bartlein, P. J.

2012-01-01

Water balance models of simple structure are easier to grasp and more clearly connect cause and effect than models of complex structure. Such models are essential for studying large spatial scale land surface water balance in the context of climate and land cover change, both natural and anthropogenic. This study aims to (i) develop a large spatial scale water balance model by modifying a dynamic global vegetation model (DGVM), and (ii) test the model's performance in simulating actual evapotranspiration (ET), soil moisture and surface runoff for the coterminous United States (US). Toward these ends, we first introduced development of the "LPJ-Hydrology" (LH) model by incorporating satellite-based land covers into the Lund-Potsdam-Jena (LPJ) DGVM instead of dynamically simulating them. We then ran LH using historical (1982-2006) climate data and satellite-based land covers at 2.5 arc-min grid cells. The simulated ET, soil moisture and surface runoff were compared to existing sets of observed or simulated data for the US. The results indicated that LH captures well the variation of monthly actual ET (R2 = 0.61, p < 0.01) in the Everglades of Florida over the years 1996-2001. The modeled monthly soil moisture for Illinois of the US agrees well (R2 = 0.79, p < 0.01) with the observed over the years 1984-2001. The modeled monthly stream flow for most 12 major rivers in the US is consistent R2 > 0.46, p < 0.01; Nash-Sutcliffe Coefficients >0.52) with observed values over the years 1982-2006, respectively. The modeled spatial patterns of annual ET and surface runoff are in accordance with previously published data. Compared to its predecessor, LH simulates better monthly stream flow in winter and early spring by incorporating effects of solar radiation on snowmelt. Overall, this study proves the feasibility of incorporating satellite-based land-covers into a DGVM for simulating large spatial scale land surface water balance. LH developed in this study should be a useful tool for studying effects of climate and land cover change on land surface hydrology at large spatial scales.

The influence on response of axial rotation of a six-group local-conductance probe in horizontal oil-water two-phase flow

NASA Astrophysics Data System (ADS)

Weihang, Kong; Lingfu, Kong; Lei, Li; Xingbin, Liu; Tao, Cui

2017-06-01

Water volume fraction is an important parameter of two-phase flow measurement, and it is an urgent task for accurate measurement in horizontal oil field development and optimization of oil production. The previous ring-shaped conductance water-cut meter cannot obtain the response values corresponding to the oil field water conductivity for oil-water two-phase flow in horizontal oil-producing wells characterized by low yield liquid, low velocity and high water cut. Hence, an inserted axisymmetric array structure sensor, i.e. a six-group local-conductance probe (SGLCP), is proposed in this paper. Firstly, the electric field distributions generated by the exciting electrodes of SGLCP are investigated by the finite element method (FEM), and the spatial sensitivity distributions of SGLCP are analyzed from the aspect of different separations between two electrodes and different axial rotation angles respectively. Secondly, the numerical simulation responses of SGLCP in horizontal segregated flow are calculated from the aspect of different water cut and heights of the water layer, respectively. Lastly, an SGLCP-based well logging instrument was developed, and experiments were carried out in a horizontal pipe with an inner diameter of 125 mm on the industrial-scale experimental multiphase flow setup in the Daqing Oilfield, China. In the experiments, the different oil-water two-phase flow, mineralization degree, temperature and pressure were tested. The results obtained from the simulation experiments and simulation well experiments demonstrate that the designed and developed SGLCP-based instrument still has a good response characteristic for measuring water conductivity under the different conditions mentioned above. The validity and reliability of obtaining the response values corresponding to the water conductivity through the designed and developed SGLCP-based instrument are verified by the experimental results. The significance of this work can provide an effective technology for measuring the water volume fraction of oil-water two-phase flow in horizontal oil-producing wells.

Development of a Water Recovery System Resource Tracking Model

NASA Technical Reports Server (NTRS)

Chambliss, Joe; Stambaugh, Imelda; Sargusingh, Miriam; Shull, Sarah; Moore, Michael

2015-01-01

A simulation model has been developed to track water resources in an exploration vehicle using Regenerative Life Support (RLS) systems. The Resource Tracking Model (RTM) integrates the functions of all the vehicle components that affect the processing and recovery of water during simulated missions. The approach used in developing the RTM enables its use as part of a complete vehicle simulation for real time mission studies. Performance data for the components in the RTM is focused on water processing. The data provided to the model has been based on the most recent information available regarding the technology of the component. This paper will describe the process of defining the RLS system to be modeled, the way the modeling environment was selected, and how the model has been implemented. Results showing how the RLS components exchange water are provided in a set of test cases.

'On-line' analyses of simulated solar wind implantations of terrestrial analogs of lunar materials

NASA Technical Reports Server (NTRS)

Blanford, G. E.; Bergesen, P.; Moeller, W.; Maurette, M.; Monart, B.

1986-01-01

In connection with the establishment of a lunar base, it would be necessary to provide water, and the feasibility to obtain water from solar wind (SW) implanted lunar soils has been considered. In this context, a project involving the examination of materials under conditions of simulated SW irradiation has been initiated. A description is presented of initial results on oligoclase, ilmenite, and simulated lunar glass (SLG). Attention is given to the reaction chamber, the target materials, the saturation concentrations, aspects of water release, depth profiles, thermal release, effects from helium-3 preimplants, mechanisms of possible water release related to direct emission and thermal release, and lunar soil components enriched in trapped SW hydrogen. It is found that ilmenite stores about twice as much deuterium as the other target materials. However, it is unknown whether the small enrichment factor will be sufficient to make the material a potential source of lunar water.

Development of a Water Recovery System Resource Tracking Model

NASA Technical Reports Server (NTRS)

Chambliss, Joe; Stambaugh, Imelda; Sarguishm, Miriam; Shull, Sarah; Moore, Michael

2014-01-01

A simulation model has been developed to track water resources in an exploration vehicle using regenerative life support (RLS) systems. The model integrates the functions of all the vehicle components that affect the processing and recovery of water during simulated missions. The approach used in developing the model results in the RTM being a part of of a complete vehicle simulation that can be used in real time mission studies. Performance data for the variety of components in the RTM is focused on water processing and has been defined based on the most recent information available for the technology of the component. This paper will describe the process of defining the RLS system to be modeled and then the way the modeling environment was selected and how the model has been implemented. Results showing how the variety of RLS components exchange water are provided in a set of test cases.

Research on numerical simulation and protection of transient process in long-distance slurry transportation pipelines

NASA Astrophysics Data System (ADS)

Lan, G.; Jiang, J.; Li, D. D.; Yi, W. S.; Zhao, Z.; Nie, L. N.

2013-12-01

The calculation of water-hammer pressure phenomenon of single-phase liquid is already more mature for a pipeline of uniform characteristics, but less research has addressed the calculation of slurry water hammer pressure in complex pipelines with slurry flows carrying solid particles. In this paper, based on the developments of slurry pipelines at home and abroad, the fundamental principle and method of numerical simulation of transient processes are presented, and several boundary conditions are given. Through the numerical simulation and analysis of transient processes of a practical engineering of long-distance slurry transportation pipeline system, effective protection measures and operating suggestions are presented. A model for calculating the water impact of solid and fluid phases is established based on a practical engineering of long-distance slurry pipeline transportation system. After performing a numerical simulation of the transient process, analyzing and comparing the results, effective protection measures and operating advice are recommended, which has guiding significance to the design and operating management of practical engineering of longdistance slurry pipeline transportation system.

Study of intermolecular contacts in the proline-rich homeodomain (PRH)-DNA complex using molecular dynamics simulations.

PubMed

Jalili, Seifollah; Karami, Leila

2012-03-01

The proline-rich homeodomain (PRH)-DNA complex consists of a protein with 60 residues and a 13-base-pair DNA. The PRH protein is a transcription factor that plays a key role in the regulation of gene expression. PRH is a significant member of the Q50 class of homeodomain proteins. The homeodomain section of PRH is essential for binding to DNA and mediates sequence-specific DNA binding. Three 20-ns molecular dynamics (MD) simulations (free protein, free DNA and protein-DNA complex) in explicit solvent water were performed to elucidate the intermolecular contacts in the PRH-DNA complex and the role of dynamics of water molecules forming water-mediated contacts. The simulation provides a detailed explanation of the trajectory of hydration water molecules. The simulations show that some water molecules in the protein-DNA interface exchange with bulk waters. The simulation identifies that most of the contacts consisted of direct interactions between the protein and DNA including specific and non-specific contacts, but several water-mediated polar contacts were also observed. The specific interaction between Gln50 and C18 and water-mediated hydrogen bond between Gln50 and T7 were found to be present during almost the entire time of the simulation. These results show good consistency with experimental and previous computational studies. Structural properties such as root-mean-square deviations (RMSD), root-mean-square fluctuations (RMSF) and secondary structure were also analyzed as a function of time. Analyses of the trajectories showed that the dynamic fluctuations of both the protein and the DNA were lowered by the complex formation.

Application of the Water Evaluation and Planning (WEAP) System for Integrated Hydrologic and Scenario-based Water Resources Systems Modeling in the Western Sierra Nevada

NASA Astrophysics Data System (ADS)

Mehta, V. K.; Purkey, D. R.; Young, C.; Joyce, B.; Yates, D.

2008-12-01

Rivers draining western slopes of the Sierra Nevada provide critical water supply, hydropower, fisheries and recreation services to California. Coordinated efforts are under way to better characterize and model the possible impacts of climate change on Sierra Nevada hydrology. Research suggests substantial end-of- century reductions in Sierra Nevada snowpack and a shift in the center of mass of the snowmelt hydrograph. Management decisions, land use change and population growth add further complexity, necessitating the use of scenario-based modeling tools. The Water Evaluation and Planning (WEAP) system is one of the suite of tools being employed in this effort. Unlike several models that rely on perturbation of historical runoff data to simulate future climate conditions, WEAP includes a dynamically integrated watershed hydrology module that is forced by input climate time series. This allows direct simulation of water management response to climate and land use change. This paper presents ABY2008, a WEAP application for the Yuba, Bear and American River (ABY) watersheds of the Sierra Nevada. These rivers are managed by water agencies and hydropower utilities through a complex network of reservoirs, dams, hydropower plants and water conveyances. Historical watershed hydrology in ABY2008 is driven by a 10 year weekly climate time series from 1991-2000. Land use and soils data were combined into 12 landclasses representing each of 324 hydrological response units. Hydrologic parameters were incorporated from a calibration against observed streamflow developed for the entire western Sierra. Physical reservoir data, operating rules, and water deliveries to water agencies were obtained from public documents of water agencies and power utilities that manage facilities in the watersheds. ABY2008 includes 25 major reservoirs, 39 conveyances, 33 hydropower plants and 14 transmission links to 13 major water demand points. In WEAP, decisions for transferring water at diversion points from rivers to facilities are based on assigned priorities. Priorities in ABY2008 follow Federal Energy Regulatory Commission license requirements and power purchase agreements between licensees and water/power contractors. These generally allocate water according to the following priorities - (i) maintaining minimum instream flows below diversions;(ii) irrigation and domestic consumptive water demands; and (iii) power generation. ABY2008 simulations compared well with historical annual and monthly hydropower generation. Annual hydropower for 31 hydropower plants was simulated with r2=0.85 and ste=58 GWh. Monthly hydropower for 21 power plants owned by three water agencies were simulated with r2= 0.74 and ste= 7.4 GWh. We also present early results on how climate change, manifest by increasing weekly average temperatures, translates into changes in the projected timing of runoff and patterns of snow accumulation. Consequent changes in met water supply demands and hydropower generated are discussed. Further, stakeholders in the northern Sierra seek to use ABY2008 to investigate management scenarios geared towards increased conservation flows for fish populations, and the possible tradeoffs thereof with hydropower and water supply. These applications with ABY2008 illustrate the substantial utility of scenario-based modeling with the WEAP system.

Heat, chloride, and specific conductance as ground water tracers near streams

USGS Publications Warehouse

Cox, M.H.; Su, G.W.; Constantz, J.

2007-01-01

Commonly measured water quality parameters were compared to heat as tracers of stream water exchange with ground water. Temperature, specific conductance, and chloride were sampled at various frequencies in the stream and adjacent wells over a 2-year period. Strong seasonal variations in stream water were observed for temperature and specific conductance. In observation wells where the temperature response correlated to stream water, chloride and specific conductance values were similar to stream water values as well, indicating significant stream water exchange with ground water. At sites where ground water temperature fluctuations were negligible, chloride and/or specific conductance values did not correlate to stream water values, indicating that ground water was not significantly influenced by exchange with stream water. Best-fit simulation modeling was performed at two sites to derive temperature-based estimates of hydraulic conductivities of the alluvial sediments between the stream and wells. These estimates were used in solute transport simulations for a comparison of measured and simulated values for chloride and specific conductance. Simulation results showed that hydraulic conductivities vary seasonally and annually. This variability was a result of seasonal changes in temperature-dependent hydraulic conductivity and scouring or clogging of the streambed. Specific conductance fits were good, while chloride data were difficult to fit due to the infrequent (quarterly) stream water chloride measurements during the study period. Combined analyses of temperature, chloride, and specific conductance led to improved quantification of the spatial and temporal variability of stream water exchange with shallow ground water in an alluvial system. ?? 2007 National Ground Water Association.

Real-time simulation of large-scale floods

NASA Astrophysics Data System (ADS)

Liu, Q.; Qin, Y.; Li, G. D.; Liu, Z.; Cheng, D. J.; Zhao, Y. H.

2016-08-01

According to the complex real-time water situation, the real-time simulation of large-scale floods is very important for flood prevention practice. Model robustness and running efficiency are two critical factors in successful real-time flood simulation. This paper proposed a robust, two-dimensional, shallow water model based on the unstructured Godunov- type finite volume method. A robust wet/dry front method is used to enhance the numerical stability. An adaptive method is proposed to improve the running efficiency. The proposed model is used for large-scale flood simulation on real topography. Results compared to those of MIKE21 show the strong performance of the proposed model.

Simulation of wetlands forest vegetation dynamics

USGS Publications Warehouse

Phipps, R.L.

1979-01-01

A computer program, SWAMP, was designed to simulate the effects of flood frequency and depth to water table on southern wetlands forest vegetation dynamics. By incorporating these hydrologic characteristics into the model, forest vegetation and vegetation dynamics can be simulated. The model, based on data from the White River National Wildlife Refuge near De Witt, Arkansas, "grows" individual trees on a 20 x 20-m plot taking into account effects on the tree growth of flooding, depth to water table, shade tolerance, overtopping and crowding, and probability of death and reproduction. A potential application of the model is illustrated with simulations of tree fruit production following flood-control implementation and lumbering. ?? 1979.

The Modelling Analysis of the Response of Convective Transport of Energy and Water to Multiscale Surface Heterogeneity over Tibetan Plateau

NASA Astrophysics Data System (ADS)

SUN, G.; Hu, Z.; Ma, Y.; Ma, W.

2017-12-01

The land-atmospheric interactions over a heterogeneous surface is a tricky issue for accurately understanding the energy-water exchanges between land surface and atmosphere. We investigate the vertical transport of energy and water over a heterogeneous land surface in Tibetan Plateau during the evolution of the convective boundary layer using large eddy simulation (WRF_LES). The surface heterogeneity is created according to remote sensing images from high spatial resolution LandSat ETM+ images. The PBL characteristics over a heterogeneous surface are analyzed in terms of secondary circulations under different background wind conditions based on the horizontal and vertical distribution and evolution of wind. The characteristics of vertical transport of energy and heat over a heterogeneous surface are analyzed in terms of the horizontal distribution as well as temporal evolution of sensible and latent heat fluxes at different heights under different wind conditions on basis of the simulated results from WRF_LES. The characteristics of the heat and water transported into the free atmosphere from surface are also analyzed and quantified according to the simulated results from WRF_LES. The convective transport of energy and water are analyzed according to horizontal and vertical distributions of potential temperature and vapor under different background wind conditions. With the analysis based on the WRF_LES simulation, the performance of PBL schemes of mesoscale simulation (WRF_meso) is evaluated. The comparison between horizontal distribution of vertical fluxes and domain-averaged vertical fluxes of the energy and water in the free atmosphere is used to evaluate the performance of PBL schemes of WRF_meso in the simulation of vertical exchange of energy and water. This is an important variable because only the energy and water transported into free atmosphere is able to influence the regional and even global climate. This work would will be of great significance not only for understanding the land atmosphere interactions over a heterogeneous surface by evaluating and improving the performance PBL schemes in WRF-meso, but also for the understanding the profound effect of Tibetan Plateau on the regional and global climate.

Integrating physically based simulators with Event Detection Systems: Multi-site detection approach.

PubMed

Housh, Mashor; Ohar, Ziv

2017-03-01

The Fault Detection (FD) Problem in control theory concerns of monitoring a system to identify when a fault has occurred. Two approaches can be distinguished for the FD: Signal processing based FD and Model-based FD. The former concerns of developing algorithms to directly infer faults from sensors' readings, while the latter uses a simulation model of the real-system to analyze the discrepancy between sensors' readings and expected values from the simulation model. Most contamination Event Detection Systems (EDSs) for water distribution systems have followed the signal processing based FD, which relies on analyzing the signals from monitoring stations independently of each other, rather than evaluating all stations simultaneously within an integrated network. In this study, we show that a model-based EDS which utilizes a physically based water quality and hydraulics simulation models, can outperform the signal processing based EDS. We also show that the model-based EDS can facilitate the development of a Multi-Site EDS (MSEDS), which analyzes the data from all the monitoring stations simultaneously within an integrated network. The advantage of the joint analysis in the MSEDS is expressed by increased detection accuracy (higher true positive alarms and fewer false alarms) and shorter detection time. Copyright © 2016 Elsevier Ltd. All rights reserved.

Migration and sensory properties of plastics-based nets used as food-contacting materials under ambient and high temperature heating conditions.

PubMed

Kontominas, M G; Goulas, A E; Badeka, A V; Nerantzaki, A

2006-06-01

Overall migration from a wide range of commercial plastics-based netting materials destined to be used as either meat or vegetable packaging materials into the fatty food simulant isooctane or the aqueous simulant distilled water, respectively, was studied. In addition, sensory tests of representative netting materials were carried out in bottled water in order to investigate possible development of off-odour/taste and discoloration in this food simulant as a result of migration from the netting material. Sensory tests were supplemented by determination of the volatile compounds' profile in table water exposed to the netting materials using SPME-GC/MS. Test conditions for packaging material/food simulant contact and method of overall migration analysis were according to European Union Directives 90/128 (EEC, 1990) and 2002/72 (EEC, 2002). The results showed that for both PET and polyethylene-based netting materials, overall migration values into distilled water ranged between 11.5 and 48.5 mg l(-1), well below the upper limit (60 mg l(-1)) for overall migration values from plastics-packaging materials set by the European Union. The overall migration values from netting materials into isooctane ranged between 38.0 and 624.0 mg l(-1), both below and above the European Union upper limit for migration. Sensory tests involving contact of representative samples with table water under refluxing (100 degrees C/4 h) conditions showed a number of the netting materials produced both off-odour and/or taste as well as discoloration of the food simulant rendering such materials unfit for the packaging of foodstuffs in applications involving heating at elevated temperatures. GC/MS analysis showed the presence of numerous volatile compounds being produced after netting materials/water contact under refluxing conditions. Although it is extremely difficult to establish a clear correlation between sensory off-odour development and GC/MS volatile compounds' profile, it may be postulated that plastics oxidation products such as hexanal, heptanal, octanal and 2,6 di-tert-butylquinone may contribute to off-odour development using commercially bottled table water as a food simulant. Likewise, compounds such as carbon disulfide, [1,1'-biphenyl]-2-ol and propanoic acid, 2 methyl 1-(1,1-dimethyl)-2-methyl-1,3-propanediyl ester probably originating from cotton and rubber components of netting materials may also contribute to off-odour/taste development.

Development of Hydro-Informatic Modelling System and its Application

NASA Astrophysics Data System (ADS)

Wang, Z.; Liu, C.; Zheng, H.; Zhang, L.; Wu, X.

2009-12-01

The understanding of hydrological cycle is the core of hydrology and the scientific base of water resources management. Meanwhile, simulation of hydrological cycle has long been regarded as an important tool for the assessment, utilization and protection of water resources. In this paper, a new tool named Hydro-Informatic Modelling System (HIMS) has been developed and introduced with case studies in the Yellow River Basin in China and 331 catchments in Australia. The case studies showed that HIMS can be employed as an integrated platform for hydrological simulation in different regions. HIMS is a modular based framework of hydrological model designed for different utilization such as flood forecasting, water resources planning and evaluating hydrological impacts of climate change and human activities. The unique of HIMS is its flexibility in providing alternative modules in the simulation of hydrological cycle, which successfully overcome the difficulties in the availability of input data, the uncertainty of parameters, and the difference of rainfall-runoff processes. The modular based structure of HIMS makes it possible for developing new hydrological models by the users.

Application of a water quality model in the White Cart water catchment, Glasgow, UK.

PubMed

Liu, S; Tucker, P; Mansell, M; Hursthouse, A

2003-03-01

Water quality models of urban systems have previously focused on point source (sewerage system) inputs. Little attention has been given to diffuse inputs and research into diffuse pollution has been largely confined to agriculture sources. This paper reports on new research that is aimed at integrating diffuse inputs into an urban water quality model. An integrated model is introduced that is made up of four modules: hydrology, contaminant point sources, nutrient cycling and leaching. The hydrology module, T&T consists of a TOPMODEL (a TOPography-based hydrological MODEL), which simulates runoff from pervious areas and a two-tank model, which simulates runoff from impervious urban areas. Linked into the two-tank model, the contaminant point source module simulates the overflow from the sewerage system in heavy rain. The widely known SOILN (SOIL Nitrate model) is the basis of nitrogen cycle module. Finally, the leaching module consists of two functions: the production function and the transfer function. The production function is based on SLIM (Solute Leaching Intermediate Model) while the transfer function is based on the 'flushing hypothesis' which postulates a relationship between contaminant concentrations in the receiving water course and the extent to which the catchment is saturated. This paper outlines the modelling methodology and the model structures that have been developed. An application of this model in the White Cart catchment (Glasgow) is also included.

Numerical simulation of the generation of reactive oxygen and nitrogen species (RONS) in water by atmospheric-pressure plasmas and their effects on Escherichia coli (E. coli)

NASA Astrophysics Data System (ADS)

Ikuse, Kazumasa; Hamaguchi, Satoshi

2016-09-01

We have used two types of numerical simulations to examine biological effects of reactive oxygen and nitrogen species (RONS) generated in water by an atmospheric-pressure plasma (APP) that irradiates the water surface. One is numerical simulation for the generation and transport of RONS in water based on the reaction-diffusion-advection equations coupled with Poisson equation. The rate constants, mobilities, and diffusion coefficients used in the equations are obtained from the literature. The gaseous species are given as boundary conditions and time evolution of the concentrations of chemical species in pure water is solved numerically as functions of the depth in one dimension. Although it is not clear how living organisms respond to such exogenous RONS, we also use numerical simulation for metabolic reactions of Escherichia coli (E. coli) and examine possible effects of such RONS on an in-silico model organism. The computation model is based on the flux balance analysis (FBA), where the fluxes of the metabolites in a biological system are evaluated in steady state, i.e., under the assumption that the fluxes do not change in time. The fluxes are determined with liner programming to maximize the growth rate of the bacteria under the given conditions. Although FBA cannot be directly applied to dynamical responses of metabolic reactions, the simulation still gives insight into the biological reactions to exogenous chemical species generated by an APP. Partially supported by JSPS Grants-in-Aid for Scientific Research.

Simulated Effects of Year 2030 Water-Use and Land-Use Changes on Streamflow near the Interstate-495 Corridor, Assabet and Upper Charles River Basins, Eastern Massachusetts

USGS Publications Warehouse

Carlson, Carl S.; Desimone, Leslie A.; Weiskel, Peter K.

2008-01-01

Continued population growth and land development for commercial, industrial, and residential uses have created concerns regarding the future supply of potable water and the quantity of ground water discharging to streams in the area of Interstate 495 in eastern Massachusetts. Two ground-water models developed in 2002-2004 for the Assabet and Upper Charles River Basins were used to simulate water supply and land-use scenarios relevant for the entire Interstate-495 corridor. Future population growth, water demands, and commercial and residential growth were projected for year 2030 by the Metropolitan Area Planning Council. To assess the effects of future development on subbasin streamflows, seven scenarios were simulated by using existing computer-based ground-water-flow models with the data projected for year 2030. The scenarios incorporate three categories of projected 2030 water- and land-use data: (1) 2030 water use, (2) 2030 land use, and (3) a combination of 2030 water use and 2030 land use. Hydrologic, land-use, and water-use data from 1997 through 2001 for the Assabet River Basin study and 1989 through 1998 for the Upper Charles River Basin study were used to represent current conditions - referred to as 'basecase' conditions - in each basin to which each 2030 scenario was compared. The effects of projected 2030 land- and water-use change on streamflows in the Assabet River Basin depended upon the time of year, the hydrologic position of the subbasin in the larger basin, and the relative areas of new commercial and residential development projected for a subbasin. Effects of water use and land use on streamflow were evaluated by comparing average monthly nonstorm streamflow (base flow) for March and September simulated by using the models. The greatest decreases in streamflow (up to 76 percent in one subbasin), compared to the basecase, occurred in September, when streamflows are naturally at their lowest level. By contrast, simulated March streamflows decreased less than 6.5 percent from basecase streamflows in all subbasins for all scenarios. The simulations showed similar effects in the Upper Charles River Basin, but increased water use contributed to decreased simulated streamflow in most subbasins. Simulated changes in March streamflows for 2030 in the Upper Charles River Basin were within +- 6 percent of the basecase for all scenarios and subbasins. Percentage decreases in simulated September streamflows for 2030 were greater than in March but less than the September decreases that resulted for some subbasins in the Assabet River Basin. Only two subbasins of the Upper Charles River Basin had projected decreases greater than 5 percent. In the Mill River subbasin, the decrease was 11 percent, and in the Mine Brook subbasin, 6.6 percent. Changes in water use and wastewater return flow generally were found to have the greatest effect in the summer months when streamflow and aquifer recharge rates are low and water use is high. September increases in main-stem streamflow of both basins were due mainly to increased discharge of treated effluent from wastewater-treatment facilities on the main-stem rivers. In the Assabet River Basin, wastewater-treatment-facility discharge became a smaller proportion of total streamflow with distance downstream. In contrast, wastewater-treatment facility discharge in the Upper Charles River Basin became a greater proportion of streamflow with distance downstream. The effects of sewer-line extension and low-impact development on streamflows in two different subbasins of the Assabet River Basin also were simulated. The result of extending sewer lines with a corresponding decrease in septic-system return flow caused September streamflows to decrease as much as 15 percent in the Fort Pond Brook subbasin. The effect of low-impact development was simulated in the Hop Brook subbasin in areas projected for commercial development. In this simulation, the greater the area where low-i

How well Can We Classify SWOT-derived Water Surface Profiles?

NASA Astrophysics Data System (ADS)

Frasson, R. P. M.; Wei, R.; Picamilh, C.; Durand, M. T.

2015-12-01

The upcoming Surface Water Ocean Topography (SWOT) mission will detect water bodies and measure water surface elevation throughout the globe. Within its continental high resolution mask, SWOT is expected to deliver measurements of river width, water elevation and slope of rivers wider than ~50 m. The definition of river reaches is an integral step of the computation of discharge based on SWOT's observables. As poorly defined reaches can negatively affect the accuracy of discharge estimations, we seek strategies to break up rivers into physically meaningful sections. In the present work, we investigate how accurately we can classify water surface profiles based on simulated SWOT observations. We assume that most river sections can be classified as either M1 (mild slope, with depth larger than the normal depth), or A1 (adverse slope with depth larger than the critical depth). This assumption allows the classification to be based solely on the second derivative of water surface profiles, with convex profiles being classified as A1 and concave profiles as M1. We consider a HEC-RAS model of the Sacramento River as a representation of the true state of the river. We employ the SWOT instrument simulator to generate a synthetic pass of the river, which includes our best estimates of height measurement noise and geolocation errors. We process the resulting point cloud of water surface heights with the RiverObs package, which delineates the river center line and draws the water surface profile. Next, we identify inflection points in the water surface profile and classify the sections between the inflection points. Finally, we compare our limited classification of simulated SWOT-derived water surface profile to the "exact" classification of the modeled Sacramento River. With this exercise, we expect to determine if SWOT observations can be used to find inflection points in water surface profiles, which would bring knowledge of flow regimes into the definition of river reaches.

Benefit-cost estimation for alternative drinking water maximum contaminant levels

NASA Astrophysics Data System (ADS)

Gurian, Patrick L.; Small, Mitchell J.; Lockwood, John R.; Schervish, Mark J.

2001-08-01

A simulation model for estimating compliance behavior and resulting costs at U.S. Community Water Suppliers is developed and applied to the evaluation of a more stringent maximum contaminant level (MCL) for arsenic. Probability distributions of source water arsenic concentrations are simulated using a statistical model conditioned on system location (state) and source water type (surface water or groundwater). This model is fit to two recent national surveys of source waters, then applied with the model explanatory variables for the population of U.S. Community Water Suppliers. Existing treatment types and arsenic removal efficiencies are also simulated. Utilities with finished water arsenic concentrations above the proposed MCL are assumed to select the least cost option compatible with their existing treatment from among 21 available compliance strategies and processes for meeting the standard. Estimated costs and arsenic exposure reductions at individual suppliers are aggregated to estimate the national compliance cost, arsenic exposure reduction, and resulting bladder cancer risk reduction. Uncertainties in the estimates are characterized based on uncertainties in the occurrence model parameters, existing treatment types, treatment removal efficiencies, costs, and the bladder cancer dose-response function for arsenic.

Assimilation of remote sensing data into a process-based ecosystem model for monitoring changes of soil water content in croplands

NASA Astrophysics Data System (ADS)

Ju, Weimin; Gao, Ping; Wang, Jun; Li, Xianfeng; Chen, Shu

2008-10-01

Soil water content (SWC) is an important factor affecting photosynthesis, growth, and final yields of crops. The information on SWC is of importance for mitigating the reduction of crop yields caused by drought through proper agricultural water management. A variety of methodologies have been developed to estimate SWC at local and regional scales, including field sampling, remote sensing monitoring and model simulations. The reliability of regional SWC simulation depends largely on the accuracy of spatial input datasets, including vegetation parameters, soil and meteorological data. Remote sensing has been proved to be an effective technique for controlling uncertainties in vegetation parameters. In this study, the vegetation parameters (leaf area index and land cover type) derived from the Moderate Resolution Imaging Spectrometer (MODIS) were assimilated into a process-based ecosystem model BEPS for simulating the variations of SWC in croplands of Jiangsu province, China. Validation shows that the BEPS model is able to capture 81% and 83% of across-site variations of SWC at 10 and 20 cm depths during the period from September to December, 2006 when a serous autumn drought occurred. The simulated SWC responded the events of rainfall well at regional scale, demonstrating the usefulness of our methodology for SWC and practical agricultural water management at large scales.

Water quality, hydrology, and the effects of changes in phosphorus loading to Pike Lake, Washington County, Wisconsin, with special emphasis on inlet-to-outlet short-circuiting

USGS Publications Warehouse

Rose, William J.; Robertson, Dale M.; Mergener, Elizabeth A.

2004-01-01

Simulations using water-quality models within the Wisconsin Lake Model Suite (WiLMS) indicated Pike Lake's response to 13 different phosphorus-loading scenarios. These scenarios included a base 'normal' year (2000) for which lake water quality and loading were known, six different percentage increases or decreases in phosphorus loading from controllable sources, and six different loading scenarios corresponding to specific management actions. Model simulations indicate that a 50-percent reduction in controllable loading sources would be needed to achieve a mesotrophic classification with respect to phosphorus, chlorophyll a, and Secchi depth (an index of water clarity). Model simulations indicated that short-circuiting of phosphorus from the inlet to the outlet was the main reason the water quality of the lake is good relative to the amount of loading from the Rubicon River and that changes in the percentage of inlet-to-outlet short-circuiting have a significant influence on the water quality of the lake.

Game theory based models to analyze water conflicts in the Middle Route of the South-to-North Water Transfer Project in China.

PubMed

Wei, Shouke; Yang, Hong; Abbaspour, Karim; Mousavi, Jamshid; Gnauck, Albrecht

2010-04-01

This study applied game theory based models to analyze and solve water conflicts concerning water allocation and nitrogen reduction in the Middle Route of the South-to-North Water Transfer Project in China. The game simulation comprised two levels, including one main game with five players and four sub-games with each containing three sub-players. We used statistical and econometric regression methods to formulate payoff functions of the players, economic valuation methods (EVMs) to transform non-monetary value into economic one, cost-benefit Analysis (CBA) to compare the game outcomes, and scenario analysis to investigate the future uncertainties. The validity of game simulation was evaluated by comparing predictions with observations. The main results proved that cooperation would make the players collectively better off, though some player would face losses. However, players were not willing to cooperate, which would result in a prisoners' dilemma. Scenarios simulation results displayed that players in water scare area could not solve its severe water deficit problem without cooperation with other players even under an optimistic scenario, while the uncertainty of cooperation would come from the main polluters. The results suggest a need to design a mechanism to reduce the risk of losses of those players by a side payment, which provides them with economic incentives to cooperate. Copyright (c) 2010 Elsevier Ltd. All rights reserved.

Thermodynamic Insights into Effects of Water Displacement and Rearrangement upon Ligand Modification using Molecular Dynamics Simulations.

PubMed

Wahl, Joel; Smiesko, Martin

2018-05-04

Computational methods, namely Molecular Dynamics Simulations (MD simulations) in combination with Inhomogeneous Fluid Solvation Theory (IFST) were used to retrospectively investigate various cases of ligand structure modifications that led to the displacement of binding site water molecules. Our findings are that the water displacement per se is energetically unfavorable in the discussed examples, and that it is merely the fine balance between change in protein-ligand interaction energy, ligand solvation free energies and binding site solvation free energies that determine if water displacement is favorable or not. We furthermore evaluated if we can reproduce experimental binding affinities by a computational approach combining changes in solvation free energies with changes in protein-ligand interaction energies and entropies. In two of the seven cases, this estimation led to large errors, implying that accurate predictions of relative binding free energies based on solvent thermodynamics is challenging. Still, MD simulations can provide insights into which water molecules can be targeted for displacement. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Innovative Tools for Water Quality/Quantity Management: New York City's Operations Support Tool

NASA Astrophysics Data System (ADS)

Wang, L.; Schaake, J. C.; Day, G. N.; Porter, J.; Sheer, D. P.; Pyke, G.

2011-12-01

The New York City Department of Environmental Protection (DEP) manages New York City's water supply, which is comprised of over 20 reservoirs and supplies more than 1 billion gallons of water per day to over 9 million customers. Recently, DEP has initiated design of an Operations Support Tool (OST), a state-of-the-art decision support system to provide computational and predictive support for water supply operations and planning. This presentation describes the technical structure of OST, including the underlying water supply and water quality models, data sources and database management, reservoir inflow forecasts, and the functionalities required to meet the needs of a diverse group of end users. OST is a major upgrade of DEP's current water supply - water quality model, developed to evaluate alternatives for controlling turbidity in NYC's Catskill reservoirs. While the current model relies on historical hydrologic and meteorological data, OST can be driven by forecasted future conditions. It will receive a variety of near-real-time data from a number of sources. OST will support two major types of simulations: long-term, for evaluating policy or infrastructure changes over an extended period of time; and short-term "position analysis" (PA) simulations, consisting of multiple short simulations, all starting from the same initial conditions. Typically, the starting conditions for a PA run will represent those for the current day and traces of forecasted hydrology will drive the model for the duration of the simulation period. The result of these simulations will be a distribution of future system states based on system operating rules and the range of input ensemble streamflow predictions. DEP managers will analyze the output distributions and make operation decisions using risk-based metrics such as probability of refill. Currently, in the developmental stages of OST, forecasts are based on antecedent hydrologic conditions and are statistical in nature. The statistical algorithm is a relatively simple and versatile, but lacks short-term skill critical for water quality and spill management. To improve short-term skill, OST will ultimately operate with meteorologically driven hydrologic forecasts provided by the National Weather Service (NWS). OST functionalities will support a wide range of DEP uses, including short term operational projections, outage planning and emergency management, operating rule development, and water supply planning. A core use of OST will be to inform reservoir management strategies to control and mitigate turbidity events while ensuring water supply reliability. OST will also allow DEP to manage its complex reservoir system to meet multiple objectives, including ecological flows, tailwater fisheries and recreational releases, and peak flow mitigation for downstream communities.

Numerical simulation of flood barriers

NASA Astrophysics Data System (ADS)

Srb, Pavel; Petrů, Michal; Kulhavý, Petr

This paper deals with testing and numerical simulating of flood barriers. The Czech Republic has been hit by several very devastating floods in past years. These floods caused several dozens of causalities and property damage reached billions of Euros. The development of flood measures is very important, especially for the reduction the number of casualties and the amount of property damage. The aim of flood control measures is the detention of water outside populated areas and drainage of water from populated areas as soon as possible. For new flood barrier design it is very important to know its behaviour in case of a real flood. During the development of the barrier several standardized tests have to be carried out. Based on the results from these tests numerical simulation was compiled using Abaqus software and some analyses were carried out. Based on these numerical simulations it will be possible to predict the behaviour of barriers and thus improve their design.

Measurement and numerical simulation of high intensity focused ultrasound field in water

NASA Astrophysics Data System (ADS)

Lee, Kang Il

2017-11-01

In the present study, the acoustic field of a high intensity focused ultrasound (HIFU) transducer in water was measured by using a commercially available needle hydrophone intended for HIFU use. To validate the results of hydrophone measurements, numerical simulations of HIFU fields were performed by integrating the axisymmetric Khokhlov-Zabolotskaya-Kuznetsov (KZK) equation from the frequency-domain perspective with the help of a MATLAB-based software package developed for HIFU simulation. Quantitative values for the focal waveforms, the peak pressures, and the size of the focal spot were obtained in various regimes of linear, quasilinear, and nonlinear propagation up to the source pressure levels when the shock front was formed in the waveform. The numerical results with the HIFU simulator solving the KZK equation were compared with the experimental data and found to be in good agreement. This confirms that the numerical simulation based on the KZK equation is capable of capturing the nonlinear pressure field of therapeutic HIFU transducers well enough to make it suitable for HIFU treatment planning.

Risk assessment of human exposure to Ra-226 in oil produced water from the Bakken Shale.

PubMed

Torres, Luisa; Yadav, Om Prakash; Khan, Eakalak

2018-06-01

Unconventional oil production in North Dakota (ND) and other states in the United States uses large amounts of water for hydraulic fracturing to stimulate oil flow. Most of the water used returns to the surface as produced water (PW) containing different constituents. Some of these contents are total dissolved solids and radionuclides. The most predominant radionuclide in PW is radium-226 (Ra-226) of which level depends on several factors including the content of certain cations. A multivariate regression model was developed to predict Ra-226 in PW from the Bakken Shale based on the levels of barium, strontium, and calcium. The simulated Ra-226 activity concentration in PW was 535 pCi/L supporting extremely limited actual data based on three PW samples from the Bakken (527, 816, and 1210 pCi/L). The simulated activity concentration was further analyzed by studying its impact in the event of a PW spill reaching a surface water body that provides drinking water, irrigation water for crops, and recreational fishing. Using food transfer factors found in the literature, the final annual effective dose rate for an adult in ND was estimated. The global average annual effective dose rate via food and drinking water is 0.30 mSv, while the predicted dose rate in this study was 0.49 mSv indicating that there is potential risk to human health in ND due to Ra-226 in PW spills. This predicted dose rate is considered the best case scenario as it is based on the simulated Ra-226 activity concentration in PW of 535 pCi/L which is close to the low end actual activity concentration of 527 pCi/L. Copyright © 2018 Elsevier B.V. All rights reserved.

Simulation of saltwater movement in the Upper Floridan aquifer in the Savannah, Georgia-Hilton Head Island, South Carolina, area, predevelopment-2004, and projected movement for 2000 pumping conditions

USGS Publications Warehouse

Provost, Alden M.; Payne, Dorothy F.; Voss, Clifford I.

2006-01-01

A digital model was developed to simulate ground-water flow and solute transport for the Upper Floridan aquifer in the Savannah, Georgia-Hilton Head Island, South Carolina, area. The model was used to (1) simulate trends of saltwater intrusion from predevelopment to the present day (1885-2004), (2) project these trends from the present day into the future, and (3) evaluate the relative influence of different assumptions regarding initial and boundary conditions and physical properties. The model is based on a regional, single-density ground-water flow model of coastal Georgia and adjacent parts of South Carolina and Florida. Variable-density ground-water flow and solute transport were simulated using the U.S. Geological Survey finite-element, variable-density solute-transport simulator SUTRA, 1885-2004. The model comprises seven layers: the surficial aquifer system, the Brunswick aquifer system, the Upper Floridan aquifer, the Lower Floridan aquifer, and the intervening confining units. The model was calibrated to September 1998 water levels, for single-density freshwater conditions, then refined using variable density and chloride concentration to give a reasonable match to the trend in the chloride distribution in the Upper Floridan aquifer inferred from field measurements of specific conductance made during 2000, 2002, 2003, and 2004. The model was modified to simulate solute transport by allowing saltwater to enter the system through localized areas near the northern end of Hilton Head Island, at Pinckney Island, and near the Colleton River, and was calibrated to match chloride concentrations inferred from field measurements of specific conductance. This simulation is called the 'Base Case.'

Design of virtual SCADA simulation system for pressurized water reactor

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wijaksono, Umar, E-mail: umar.wijaksono@student.upi.edu; Abdullah, Ade Gafar; Hakim, Dadang Lukman

The Virtual SCADA system is a software-based Human-Machine Interface that can visualize the process of a plant. This paper described the results of the virtual SCADA system design that aims to recognize the principle of the Nuclear Power Plant type Pressurized Water Reactor. This simulation uses technical data of the Nuclear Power Plant Unit Olkiluoto 3 in Finland. This device was developed using Wonderware Intouch, which is equipped with manual books for each component, animation links, alarm systems, real time and historical trending, and security system. The results showed that in general this device can demonstrate clearly the principles ofmore » energy flow and energy conversion processes in Pressurized Water Reactors. This virtual SCADA simulation system can be used as instructional media to recognize the principle of Pressurized Water Reactor.« less

Simulating Mobility of Chemical Contaminants from Unconventional Gas Development for Protection of Water Resources

NASA Astrophysics Data System (ADS)

Kanno, C.; Edlin, D.; Borrillo-Hutter, T.; McCray, J. E.

2014-12-01

Potential contamination of ground water and surface water supplies from chemical contaminants in hydraulic fracturing fluids or in natural gas is of high public concern. However, quantitative assessments have rarely been conducted at specific energy-producing locations so that the true risk of contamination can be evaluated. The most likely pathways for contamination are surface spills and faulty well bores that leak production fluids directly into an aquifer. This study conducts fate and transport simulations of the most mobile chemical contaminants, based on reactivity to subsurface soils, degradation potential, and source concentration, to better understand which chemicals are most likely to contaminate water resources, and to provide information to planners who wish to be prepared for accidental releases. The simulations are intended to be most relevant to the Niobrara shale formation.

Testing conceptual and physically based soil hydrology schemes against observations for the Amazon Basin

NASA Astrophysics Data System (ADS)

Guimberteau, M.; Ducharne, A.; Ciais, P.; Boisier, J. P.; Peng, S.; De Weirdt, M.; Verbeeck, H.

2014-06-01

This study analyzes the performance of the two soil hydrology schemes of the land surface model ORCHIDEE in estimating Amazonian hydrology and phenology for five major sub-basins (Xingu, Tapajós, Madeira, Solimões and Negro), during the 29-year period 1980-2008. A simple 2-layer scheme with a bucket topped by an evaporative layer is compared to an 11-layer diffusion scheme. The soil schemes are coupled with a river routing module and a process model of plant physiology, phenology and carbon dynamics. The simulated water budget and vegetation functioning components are compared with several data sets at sub-basin scale. The use of the 11-layer soil diffusion scheme does not significantly change the Amazonian water budget simulation when compared to the 2-layer soil scheme (+3.1 and -3.0% in evapotranspiration and river discharge, respectively). However, the higher water-holding capacity of the soil and the physically based representation of runoff and drainage in the 11-layer soil diffusion scheme result in more dynamic soil water storage variation and improved simulation of the total terrestrial water storage when compared to GRACE satellite estimates. The greater soil water storage within the 11-layer scheme also results in increased dry-season evapotranspiration (+0.5 mm d-1, +17%) and improves river discharge simulation in the southeastern sub-basins such as the Xingu. Evapotranspiration over this sub-basin is sustained during the whole dry season with the 11-layer soil diffusion scheme, whereas the 2-layer scheme limits it after only 2 dry months. Lower plant drought stress simulated by the 11-layer soil diffusion scheme leads to better simulation of the seasonal cycle of photosynthesis (GPP) when compared to a GPP data-driven model based on eddy covariance and satellite greenness measurements. A dry-season length between 4 and 7 months over the entire Amazon Basin is found to be critical in distinguishing differences in hydrological feedbacks between the soil and the vegetation cover simulated by the two soil schemes. On average, the multilayer soil diffusion scheme provides little improvement in simulated hydrology over the wet tropical Amazonian sub-basins, but a more significant improvement is found over the drier sub-basins. The use of a multilayer soil diffusion scheme might become critical for assessments of future hydrological changes, especially in southern regions of the Amazon Basin where longer dry seasons and more severe droughts are expected in the next century.

Global estimation of evapotranspiration using a leaf area index-based surface energy and water balance model

USDA-ARS?s Scientific Manuscript database

Studies of global hydrologic cycles, carbon cycles and climate change are greatly facilitated when global estimates of evapotranspiration (E) are available. We have developed an air-relative-humidity-based two-source (ARTS) E model that simulates the surface energy balance, soil water balance, and e...

Simulating future water temperatures in the North Santiam River, Oregon

NASA Astrophysics Data System (ADS)

Buccola, Norman L.; Risley, John C.; Rounds, Stewart A.

2016-04-01

A previously calibrated two-dimensional hydrodynamic and water-quality model (CE-QUAL-W2) of Detroit Lake in western Oregon was used in conjunction with inflows derived from Precipitation-Runoff Modeling System (PRMS) hydrologic models to examine in-lake and downstream water temperature effects under future climate conditions. Current and hypothetical operations and structures at Detroit Dam were imposed on boundary conditions derived from downscaled General Circulation Models in base (1990-1999) and future (2059-2068) periods. Compared with the base period, future air temperatures were about 2 °C warmer year-round. Higher air temperature and lower precipitation under the future period resulted in a 23% reduction in mean annual PRMS-simulated discharge and a 1 °C increase in mean annual estimated stream temperatures flowing into the lake compared to the base period. Simulations incorporating current operational rules and minimum release rates at Detroit Dam to support downstream habitat, irrigation, and water supply during key times of year resulted in lower future lake levels. That scenario results in a lake level that is above the dam's spillway crest only about half as many days in the future compared to historical frequencies. Managing temperature downstream of Detroit Dam depends on the ability to blend warmer water from the lake's surface with cooler water from deep in the lake, and the spillway is an important release point near the lake's surface. Annual average in-lake and release temperatures from Detroit Lake warmed 1.1 °C and 1.5 °C from base to future periods under present-day dam operational rules and fill schedules. Simulated dam operations such as beginning refill of the lake 30 days earlier or reducing minimum release rates (to keep more water in the lake to retain the use of the spillway) mitigated future warming to 0.4 and 0.9 °C below existing operational scenarios during the critical autumn spawning period for endangered salmonids. A hypothetical floating surface withdrawal at Detroit Dam improved temperature control in summer and autumn (0.6 °C warmer in summer, 0.6 °C cooler in autumn compared to existing structures) without altering release rates or lake level management rules.

Ground-water flow in the surficial aquifer system and potential movement of contaminants from selected waste-disposal sites at Naval Station Mayport, Florida

USGS Publications Warehouse

Halford, K.J.

1998-01-01

Ground-water flow through the surficial aquifer system at Naval Station Mayport near Jacksonville, Florida, was simulated with a two-layer finite-difference model as part of an investigation conducted by the U.S. Geological Survey. The model was calibrated to 229 water-level measurements from 181 wells during three synoptic surveys (July 17, 1995; July 31, 1996; and October 24, 1996). A quantifiable understanding of ground-water flow through the surficial aquifer was needed to evaluate remedial-action alternatives under consideration by the Naval Station Mayport to control the possible movement of contaminants from sites on the station. Multi-well aquifer tests, single-well tests, and slug tests were conducted to estimate the hydraulic properties of the surficial aquifer system, which was divided into three geohydrologic units?an S-zone and an I-zone separated by a marsh-muck confining unit. The recharge rate was estimated to range from 4 to 15 inches per year (95 percent confidence limits), based on a chloride-ratio method. Most of the simulations following model calibration were based on a recharge rate of 8 inches per year to unirrigated pervious areas. The advective displacement of saline pore water during the last 200 years was simulated using a particle-tracking routine, MODPATH, applied to calibrated steady-state and transient models of the Mayport peninsula. The surficial aquifer system at Naval Station Mayport has been modified greatly by natural and anthropogenic forces so that the freshwater flow system is expanding and saltwater is being flushed from the system. A new MODFLOW package (VAR1) was written to simulate the temporal variation of hydraulic properties caused by construction activities at Naval Station Mayport. The transiently simulated saltwater distribution after 200 years of displacement described the chloride distribution in the I-zone (determined from measurements made during 1993 and 1996) better than the steady-state simulation. The advective movement of contaminants from selected sites within the solid waste management units to discharge points was simulated using MODPATH. Most of the particles were discharged to the nearest surface-water feature after traveling less than 1,000 feet in the ground-water system. Most areas within 1,000 feet of a surface-water feature or storm sewer had traveltimes of less than 50 years, based on an effective porosity of 40 percent. Contributing areas, traveltimes, and pathlines were identified for 224 wells at Naval Station Mayport under steady-state and transient conditions by back-tracking a particle from the midpoint of the wetted screen of each well. Traveltimes to contributing areas that ranged between 15 and 50 years, estimated by the steady-state model, differed most from the transient traveltime estimates. Estimates of traveltimes and pathlines based on steady-state model results typically were 10 to 20 years more and about twice as long as corresponding estimates from the transient model. The models differed because the steady-state model simulated 1996 conditions when Naval Station Mayport had more impervious surfaces than at any earlier time. The expansion of the impervious surfaces increased the average distance between contributing areas and observation wells.

Simulation of the shallow groundwater-flow system near Mole Lake, Forest County, Wisconsin

USGS Publications Warehouse

Fienen, Michael N.; Juckem, Paul F.; Hunt, Randall J.

2011-01-01

The shallow groundwater system near Mole Lake, Forest County, Wis. was simulated using a previously calibrated regional model. The previous model was updated using newly collected water-level measurements and refinements to surface-water features. The updated model was then used to calculate the area contributing recharge for one existing and two proposed pumping locations on lands of the Sokaogon Chippewa Community. Delineated 1-, 5-, and 10-year areas contributing recharge for existing and proposed wells extend from the areas of pumping to the northeast of the pumping locations. Steady-state pumping was simulated for two scenarios: a base pumping scenario using pumping rates that reflect what the Tribe expects to pump and a high pumping scenario, in which the rate was set to the maximum expected from wells installed in this area. In the base pumping scenario, pumping rates of 32 gallons per minute (gal/min; 46,000 gallons per day (gal/d)) from the existing well and 30 gal/min (43,000 gal/d) at each of the two proposed wells were simulated. The high pumping scenario simulated a rate of 70 gal/min (101,000 gal/d) from each of the three pumping wells to estimate of the largest areas contributing recharge that might be expected given what is currently known about the shallow groundwater system. The areas contributing recharge for both the base and high pumping scenarios did not intersect any modeled surface-water bodies; however, the high pumping scenario had a larger areal extent than the base pumping scenario and intersected a septic separator.

Evaluation of a Drowning Prevention Program Based on Testimonial Videos: A Randomized Controlled Trial

PubMed Central

Pang, Shulan; Schwebel, David C.

2016-01-01

Objective Unintentional drowning is the most common cause of childhood death in rural China. Global intervention efforts offer mixed results regarding the efficacy of educational programs. Methods Using a randomized controlled design, we evaluated a testimonial-based intervention to reduce drowning risk among 280 3rd- and 4th-grade rural Chinese children. Children were randomly assigned to view either testimonials on drowning risk (intervention) or dog-bite risk (control). Safety knowledge and perceived vulnerability were measured by self-report questionnaires, and simulated behaviors in and near water were assessed with a culturally appropriate dollhouse task. Results Children in the intervention group had improved children’s safety knowledge and simulated behaviors but not perceived vulnerability compared with controls. Conclusions The testimonial-based intervention’s efficacy appears promising, as it improved safety knowledge and simulated risk behaviors with water among rural Chinese children. PMID:26546476

Modeling of phosphorus loads in sugarcane in a low-relief landscape using ontology-based simulation.

PubMed

Kwon, Ho-Young; Grunwald, Sabine; Beck, Howard W; Jung, Yunchul; Daroub, Samira H; Lang, Timothy A; Morgan, Kelly T

2010-01-01

Water flow and P dynamics in a low-relief landscape manipulated by extensive canal and ditch drainage systems were modeled utilizing an ontology-based simulation model. In the model, soil water flux and processes between three soil inorganic P pools (labile, active, and stable) and organic P are represented as database objects. And user-defined relationships among objects are used to automatically generate computer code (Java) for running the simulation of discharge and P loads. Our objectives were to develop ontology-based descriptions of soil P dynamics within sugarcane- (Saccharum officinarum L.) grown farm basins of the Everglades Agricultural Area (EAA) and to calibrate and validate such processes with water quality monitoring data collected at one farm basin (1244 ha). In the calibration phase (water year [WY] 99-00), observed discharge totaled 11,114 m3 ha(-1) and dissolved P 0.23 kg P ha(-1); and in the validation phase (WY 02-03), discharge was 10,397 m3 ha(-1) and dissolved P 0.11 kg P ha(-). During WY 99-00 the root mean square error (RMSE) for monthly discharge was 188 m3 ha(-1) and for monthly dissolved P 0.0077 kg P ha(-1); whereas during WY 02-03 the RMSE for monthly discharge was 195 m3 ha(-1) and monthly dissolved P 0.0022 kg P ha(-1). These results were confirmed by Nash-Sutcliffe Coefficient of 0.69 (calibration) and 0.81 (validation) comparing measured and simulated P loads. The good model performance suggests that our model has promise to simulate P dynamics, which may be useful as a management tool to reduce P loads in other similar low-relief areas.

The Numerical Technique for the Landslide Tsunami Simulations Based on Navier-Stokes Equations

NASA Astrophysics Data System (ADS)

Kozelkov, A. S.

2017-12-01

The paper presents an integral technique simulating all phases of a landslide-driven tsunami. The technique is based on the numerical solution of the system of Navier-Stokes equations for multiphase flows. The numerical algorithm uses a fully implicit approximation method, in which the equations of continuity and momentum conservation are coupled through implicit summands of pressure gradient and mass flow. The method we propose removes severe restrictions on the time step and allows simulation of tsunami propagation to arbitrarily large distances. The landslide origin is simulated as an individual phase being a Newtonian fluid with its own density and viscosity and separated from the water and air phases by an interface. The basic formulas of equation discretization and expressions for coefficients are presented, and the main steps of the computation procedure are described in the paper. To enable simulations of tsunami propagation across wide water areas, we propose a parallel algorithm of the technique implementation, which employs an algebraic multigrid method. The implementation of the multigrid method is based on the global level and cascade collection algorithms that impose no limitations on the paralleling scale and make this technique applicable to petascale systems. We demonstrate the possibility of simulating all phases of a landslide-driven tsunami, including its generation, propagation and uprush. The technique has been verified against the problems supported by experimental data. The paper describes the mechanism of incorporating bathymetric data to simulate tsunamis in real water areas of the world ocean. Results of comparison with the nonlinear dispersion theory, which has demonstrated good agreement, are presented for the case of a historical tsunami of volcanic origin on the Montserrat Island in the Caribbean Sea.

Development and validation of quasi-steady-state heat pump water heater model having stratified water tank and wrapped-tank condenser

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shen, Bo; Nawaz, Kashif; Baxter, Van D.

Heat pump water heater systems (HPWH) introduce new challenges for design and modeling tools, because they require vapor compression system balanced with a water storage tank. In addition, a wrapped-tank condenser coil has strong coupling with a stratified water tank, which leads HPWH simulation to a transient process. To tackle these challenges and deliver an effective, hardware-based HPWH equipment design tool, a quasi-steady-state HPWH model was developed based on the DOE/ORNL Heat Pump Design Model (HPDM). Two new component models were added via this study. One is a one-dimensional stratified water tank model, an improvement to the open-source EnergyPlus watermore » tank model, by introducing a calibration factor to account for bulk mixing effect due to water draws, circulations, etc. The other is a wrapped-tank condenser coil model, using a segment-to-segment modeling approach. In conclusion, the HPWH system model was validated against available experimental data. After that, the model was used for parametric simulations to determine the effects of various design factors.« less

Development and validation of quasi-steady-state heat pump water heater model having stratified water tank and wrapped-tank condenser

DOE PAGES

Shen, Bo; Nawaz, Kashif; Baxter, Van D.; ...

2017-10-31

Heat pump water heater systems (HPWH) introduce new challenges for design and modeling tools, because they require vapor compression system balanced with a water storage tank. In addition, a wrapped-tank condenser coil has strong coupling with a stratified water tank, which leads HPWH simulation to a transient process. To tackle these challenges and deliver an effective, hardware-based HPWH equipment design tool, a quasi-steady-state HPWH model was developed based on the DOE/ORNL Heat Pump Design Model (HPDM). Two new component models were added via this study. One is a one-dimensional stratified water tank model, an improvement to the open-source EnergyPlus watermore » tank model, by introducing a calibration factor to account for bulk mixing effect due to water draws, circulations, etc. The other is a wrapped-tank condenser coil model, using a segment-to-segment modeling approach. In conclusion, the HPWH system model was validated against available experimental data. After that, the model was used for parametric simulations to determine the effects of various design factors.« less

Simulation and Particle-Tracking Analysis of Selected Ground-Water Pumping Scenarios at Vogtle Electric Generation Plant, Burke County, Georgia

USGS Publications Warehouse

Cherry, Gregory S.; Clarke, John S.

2007-01-01

The source of ground water to production wells at Vogtle Electric Generation Plant (VEGP), a nuclear power plant in Burke County, Georgia, was simulated under existing (2002) and potential future pumping conditions using an existing U.S. Geological Survey (USGS) MODFLOW ground-water flow model of a 4,455-square-mile area in the Coastal Plain of Georgia and South Carolina. Simulation results for three steady-state pumping scenarios were compared to each other and to a 2002 Base Case condition. The pumping scenarios focused on pumping increases at VEGP resulting from projected future demands and the addition of two electrical-generating reactor units. Scenarios simulated pumping increases at VEGP ranging from 1.09 to 3.42 million gallons per day (Mgal/d), with one of the scenarios simulating the elimination of 5.3 Mgal/d of pumping at the Savannah River Site (SRS), a U.S. Department of Energy facility located across the Savannah River from VEGP. The largest simulated water-level changes at VEGP were for the scenario whereby pumping at the facility was more than tripled, resulting in drawdown exceeding 4-8 feet (ft) in the aquifers screened in the production wells. For the scenario that eliminated pumping at SRS, water-level rises of as much as 4-8 ft were simulated in the same aquifers at SRS. Results of MODFLOW simulations were analyzed using the USGS particle-tracking code MODPATH to determine the source of water and associated time of travel to VEGP production wells. For each of the scenarios, most of the recharge to VEGP wells originated in an upland area near the county line between Burke and Jefferson Counties, Georgia, with none of the recharge originating on SRS or elsewhere in South Carolina. An exception occurs for the scenario whereby pumping at VEGP was more than tripled. For this scenario, some of the recharge originates in an upland area in eastern Barnwell County, South Carolina. Simulated mean time of travel from recharge areas to VEGP wells for the Base Case and the three other pumping scenarios was between about 2,700 and 3,800 years, with some variation related to changes in head gradients because of pumping changes.

Theoretical and experimental studies of water interaction in acetate based ionic liquids.

PubMed

Shi, Wei; Damodaran, Krishnan; Nulwala, Hunaid B; Luebke, David R

2012-12-05

Water interactions in 1-ethyl-3-methylimidazolium acetate ([emim][CH(3)COO]) were studied utilizing classical and ab initio simulation methods. The self-diffusivities for water and the ionic liquid (IL) were studied experimentally using pulse field gradient NMR spectroscopy and correlated with computational results. Water forms hydrogen bonding networks with the ionic liquid, and depending on the concentration of water, there are profound effects on the self-diffusivities of the various species. Both simulation and experiments show that the self-diffusivities for species in the water-[emim][CH(3)COO] system exhibit minima at 40-50 mol% water. Water interaction with the [CH(3)COO](-) anion predominates over the water-water and water-cation interactions at most water concentrations. Simulations further indicate that decreasing water-[CH(3)COO](-) interaction will increase the IL and water self-diffusivities. Self-diffusivities in the water-IL systems are dependent upon the cation in a complex way. Water interactions with [P(4444)][CH(3)COO] are reduced compared to [emim][CH(3)COO]. The [P(4444)](+) cation is bulkier than the [emim](+) cation and has a smaller self-diffusivity, but when water was introduced to [P(4444)] [CH(3)COO], the water-[CH(3)COO](-) hydrogen bonding network in the [P(4444)][CH(3)COO] was much smaller than the one observed in [emim][CH(3)COO].

Impact of groundwater capillary rises as lower boundary conditions for soil moisture in a land surface model

NASA Astrophysics Data System (ADS)

Vergnes, Jean-Pierre; Decharme, Bertrand; Habets, Florence

2014-05-01

Groundwater is a key component of the global hydrological cycle. It sustains base flow in humid climate while it receives seepage in arid region. Moreover, groundwater influences soil moisture through water capillary rise into the soil and potentially affects the energy and water budget between the land surface and the atmosphere. Despite its importance, most global climate models do not account for groundwater and their possible interaction with both the surface hydrology and the overlying atmosphere. This study assesses the impact of capillary rise from shallow groundwater on the simulated water budget over France. The groundwater scheme implemented in the Total Runoff Integrated Pathways (TRIP) river routing model in a previous study is coupled with the Interaction between Soil Biosphere Atmosphere (ISBA) land surface model. In this coupling, the simulated water table depth acts as the lower boundary condition for the soil moisture diffusivity equation. An original parameterization accounting for the subgrid elevation inside each grid cell is proposed in order to compute this fully-coupled soil lower boundary condition. Simulations are performed at high (1/12°) and low (0.5°) resolutions and evaluated over the 1989-2009 period. Compared to a free-drain experiment, upward capillary fluxes at the bottom of soil increase the mean annual evapotranspiration simulated over the aquifer domain by 3.12 % and 1.54 % at fine and low resolutions respectively. This process logically induces a decrease of the simulated recharge from ISBA to the aquifers and contributes to enhance the soil moisture memory. The simulated water table depths are then lowered, which induces a slight decrease of the simulated mean annual river discharges. However, the fully-coupled simulations compare well with river discharge and water table depth observations which confirms the relevance of the coupling formalism.

Effect of a Problem Based Simulation on the Conceptual Understanding of Undergraduate Science Education Students

ERIC Educational Resources Information Center

Kumar, David Devraj; Sherwood, Robert D.

2007-01-01

A study of the effect of science teaching with a multimedia simulation on water quality, the "River of Life," on the science conceptual understanding of students (N = 83) in an undergraduate science education (K-9) course is reported. Teaching reality-based meaningful science is strongly recommended by the National Science Education Standards…

TOWARDS ICE FORMATION CLOSURE IN MIXED-PHASE BOUNDARY LAYER CLOUDS DURING ISDAC

NASA Astrophysics Data System (ADS)

Avramov, A.; Ackerman, A. S.; Fridlind, A. M.; van Diedenhoven, B.; Korolev, A. V.

2009-12-01

Mixed-phase stratus clouds are ubiquitous in the Arctic during the winter and transition seasons. Despite their important role in various climate feedback mechanisms they are not well understood and are difficult to represent faithfully in cloud models. In particular, models of all types experience difficulties reproducing observed ice concentrations and liquid/ice water partitioning in these clouds. Previous studies have demonstrated that simulated ice concentrations and ice water content are critically dependent on ice nucleation modes and ice crystal habit assumed in simulations. In this study we use large-eddy simulations with size-resolved microphysics to determine whether uncertainties in ice nucleus concentrations, ice nucleation mechanisms, ice crystal habits and large-scale forcing are sufficient to account for the difference between simulated and observed quantities. We present results of simulations of two case studies based on observations taken during the recent Indirect and Semi-Direct Aerosol Campaign (ISDAC) on April 8 and 26, 2008. The model simulations are evaluated through extensive comparison with in-situ observations and ground-based remote sensing measurements.

Optimal integrated management of groundwater resources and irrigated agriculture in arid coastal regions

NASA Astrophysics Data System (ADS)

Grundmann, J.; Schütze, N.; Heck, V.

2014-09-01

Groundwater systems in arid coastal regions are particularly at risk due to limited potential for groundwater replenishment and increasing water demand, caused by a continuously growing population. For ensuring a sustainable management of those regions, we developed a new simulation-based integrated water management system. The management system unites process modelling with artificial intelligence tools and evolutionary optimisation techniques for managing both water quality and water quantity of a strongly coupled groundwater-agriculture system. Due to the large number of decision variables, a decomposition approach is applied to separate the original large optimisation problem into smaller, independent optimisation problems which finally allow for faster and more reliable solutions. It consists of an analytical inner optimisation loop to achieve a most profitable agricultural production for a given amount of water and an outer simulation-based optimisation loop to find the optimal groundwater abstraction pattern. Thereby, the behaviour of farms is described by crop-water-production functions and the aquifer response, including the seawater interface, is simulated by an artificial neural network. The methodology is applied exemplarily for the south Batinah re-gion/Oman, which is affected by saltwater intrusion into a coastal aquifer system due to excessive groundwater withdrawal for irrigated agriculture. Due to contradicting objectives like profit-oriented agriculture vs aquifer sustainability, a multi-objective optimisation is performed which can provide sustainable solutions for water and agricultural management over long-term periods at farm and regional scales in respect of water resources, environment, and socio-economic development.

Numerical study of natural convection in a horizontal cylinder filled with water-based alumina nanofluid.

PubMed

Meng, Xiangyin; Li, Yan

2015-01-01

Natural heat convection of water-based alumina (Al2O3/water) nanofluids (with volume fraction 1% and 4%) in a horizontal cylinder is numerically investigated. The whole three-dimensional computational fluid dynamics (CFD) procedure is performed in a completely open-source way. Blender, enGrid, OpenFOAM and ParaView are employed for geometry creation, mesh generation, case simulation and post process, respectively. Original solver 'buoyantBoussinesqSimpleFoam' is selected for the present study, and a temperature-dependent solver 'buoyantBoussinesqSimpleTDFoam' is developed to ensure the simulation is more realistic. The two solvers are used for same cases and compared to corresponding experimental results. The flow regime in these cases is laminar (Reynolds number is 150) and the Rayleigh number range is 0.7 × 10(7) ~ 5 × 10(7). By comparison, the average natural Nusselt numbers of water and Al2O3/water nanofluids are found to increase with the Rayleigh number. At the same Rayleigh number, the Nusselt number is found to decrease with nanofluid volume fraction. The temperature-dependent solver is found better for water and 1% Al2O3/water nanofluid cases, while the original solver is better for 4% Al2O3/water nanofluid cases. Furthermore, due to strong three-dimensional flow features in the horizontal cylinder, three-dimensional CFD simulation is recommended instead of two-dimensional simplifications.

A simulation-based suitability index of the quality and quantity of agricultural drainage water for reuse in irrigation.

PubMed

Allam, Ayman; Fleifle, Amr; Tawfik, Ahmed; Yoshimura, Chihiro; El-Saadi, Aiman

2015-12-01

The suitability of agricultural drainage water (ADW) for reuse in irrigation was indexed based on a simulation of quality and quantity. The ADW reuse index (DWRI) has two components; the first one indicates the suitability of water quality (QLT) for reuse in irrigation based on the mixing ratio of ADW to canal irrigation water without violating the standards of using mixed water in irrigation, while the second indicates the available water quantity (QNT) based on the ratio of the available ADW to the required reuse discharge to meet the irrigation requirements alongside the drain. The QLT and QNT values ranged from 0 to ≥3 and from 0 to ≥0.40, respectively. Correspondingly, five classes from excellent to poor and from high scarcity to no scarcity were proposed to classify the QLT and QNT values, respectively. This approach was then applied to the Gharbia drain in the Nile Delta, Egypt, combined with QUAL2Kw simulations in the summer and winter of 2012. The QLT values along the drain ranged from 1.11 to 2.91 and 0.68 to 1.73 for summer and winter, respectively. Correspondingly, the QLT classes ranged from good to very good and from fair to good, respectively. In regard to QNT, values ranged from 0.10 to 0.62 and from 0.10 to 0.88 for summer and winter, respectively. Correspondingly, the QNT classes ranged from medium scarcity to no scarcity for both seasons. The demonstration of DWRI in the Gharbia drain suggests that the proposed index presents a simple tool for spatially evaluating the suitability of ADW for reuse in irrigation. Copyright © 2015 Elsevier B.V. All rights reserved.

Ensemble Flow Forecasts for Risk Based Reservoir Operations of Lake Mendocino in Mendocino County, California

NASA Astrophysics Data System (ADS)

Delaney, C.; Hartman, R. K.; Mendoza, J.; Evans, K. M.; Evett, S.

2016-12-01

Forecast informed reservoir operations (FIRO) is a methodology that incorporates short to mid-range precipitation or flow forecasts to inform the flood operations of reservoirs. Previous research and modeling for flood control reservoirs has shown that FIRO can reduce flood risk and increase water supply for many reservoirs. The risk-based method of FIRO presents a unique approach that incorporates flow forecasts made by NOAA's California-Nevada River Forecast Center (CNRFC) to model and assess risk of meeting or exceeding identified management targets or thresholds. Forecasted risk is evaluated against set risk tolerances to set reservoir flood releases. A water management model was developed for Lake Mendocino, a 116,500 acre-foot reservoir located near Ukiah, California. Lake Mendocino is a dual use reservoir, which is owned and operated for flood control by the United State Army Corps of Engineers and is operated by the Sonoma County Water Agency for water supply. Due to recent changes in the operations of an upstream hydroelectric facility, this reservoir has been plagued with water supply reliability issues since 2007. FIRO is applied to Lake Mendocino by simulating daily hydrologic conditions from 1985 to 2010 in the Upper Russian River from Lake Mendocino to the City of Healdsburg approximately 50 miles downstream. The risk-based method is simulated using a 15-day, 61 member streamflow hindcast by the CNRFC. Model simulation results of risk-based flood operations demonstrate a 23% increase in average end of water year (September 30) storage levels over current operations. Model results show no increase in occurrence of flood damages for points downstream of Lake Mendocino. This investigation demonstrates that FIRO may be a viable flood control operations approach for Lake Mendocino and warrants further investigation through additional modeling and analysis.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Getirana, Augusto; Dutra, Emanuel; Guimberteau, Matthieu

Despite recent advances in modeling and remote sensing of land surfaces, estimates of the global water budget are still fairly uncertain. The objective of this study is to evaluate the water budget of the Amazon basin based on several state-of-the-art land surface model (LSM) outputs. Water budget variables [total water storage (TWS), evapotranspiration (ET), surface runoff (R) and baseflow (B)] are evaluated at the basin scale using both remote sensing and in situ data. Fourteen LSMs were run using meteorological forcings at a 3-hourly time step and 1-degree spatial resolution. Three experiments are performed using precipitation which has been rescaledmore » to match monthly global GPCP and GPCC datasets and the daily HYBAM dataset for the Amazon basin. R and B are used to force the Hydrological Modeling and Analysis Platform (HyMAP) river routing scheme and simulated discharges are compared against observations at 165 gauges. Simulated ET and TWS are compared against FLUXNET and MOD16A2 evapotranspiration, and GRACE TWS estimates in different catchments. At the basin scale, simulated ET ranges from 2.39mm.d-1 to 3.26mm.d-1 and a low spatial correlation between ET and P indicates that evapotranspiration does not depend on water availability over most of the basin. Results also show that other simulated water budget variables vary significantly as a function of both the LSM and precipitation used, but simulated TWS generally agree at the basin scale. The best water budget simulations resulted from experiments using the HYBAM dataset, mostly explained by a denser rainfall gauge network the daily rescaling.« less

Demonstration of the Water Erosion Prediction Project (WEPP) internet interface and services

USDA-ARS?s Scientific Manuscript database

The Water Erosion Prediction Project (WEPP) model is a process-based FORTRAN computer simulation program for prediction of runoff and soil erosion by water at hillslope profile, field, and small watershed scales. To effectively run the WEPP model and interpret results additional software has been de...

Development and application of the microbial fate and transport module for the Agricultural Policy/Environmental eXtender (APEX) model

NASA Astrophysics Data System (ADS)

Hong, E.; Park, Y.; Muirhead, R.; Jeong, J.; Pachepsky, Y. A.

2017-12-01

Pathogenic microorganisms in recreational and irrigation waters remain the subject of concern. Water quality models are used to estimate microbial quality of water sources, to evaluate microbial contamination-related risks, to guide the microbial water quality monitoring, and to evaluate the effect of agricultural management on the microbial water quality. The Agricultural Policy/Environmental eXtender (APEX) is the watershed-scale water quality model that includes highly detailed representation of agricultural management. The APEX currently does not have microbial fate and transport simulation capabilities. The objective of this work was to develop the first APEX microbial fate and transport module that could use the APEX conceptual model of manure removal together with recently introduced conceptualizations of the in-stream microbial fate and transport. The module utilizes manure erosion rates found in the APEX. Bacteria survival in soil-manure mixing layer was simulated with the two-stage survival model. Individual survival patterns were simulated for each manure application date. Simulated in-stream microbial fate and transport processes included the reach-scale passive release of bacteria with resuspended bottom sediment during high flow events, the transport of bacteria from bottom sediment due to the hyporheic exchange during low flow periods, the deposition with settling sediment, and the two-stage survival. Default parameter values were available from recently published databases. The APEX model with the newly developed microbial fate and transport module was applied to simulate seven years of monitoring data for the Toenepi watershed in New Zealand. Based on calibration and testing results, the APEX with the microbe module reproduced well the monitored pattern of E. coli concentrations at the watershed outlet. The APEX with the microbial fate and transport module will be utilized for predicting microbial quality of water under various agricultural practices, evaluating monitoring protocols, and supporting the selection of management practices based on regulations that rely on fecal indicator bacteria concentrations.

Minimizing Erosion and Agro-Pollutants Transport from Furrow Irrigated Fields to the Nearby Water Body Using Spatially-Explicit Agent Based Model and Decision Optimization Platform

NASA Astrophysics Data System (ADS)

Ghoveisi, H.; Al Dughaishi, U.; Kiker, G.

2017-12-01

Maintaining water quality in agricultural watersheds is a worldwide challenge, especially where furrow irrigation is being practiced. The Yakima River Basin watershed in south central Washington State, (USA) is an example of these impacted areas with elevated load of sediments and other agricultural products due to runoff from furrow-irrigated fields. Within the Yakima basin, the Granger Drain watershed (area of 75 km2) is particularly challenged in this regard with more than 400 flood-irrigated individual parcels (area of 21 km2) growing a variety of crops from maize to grapes. Alternatives for improving water quality from furrow-irrigated parcels include vegetated filter strip (VFS) implementation, furrow water application efficiency, polyacrylamide (PAM) application and irrigation scheduling. These alternatives were simulated separately and in combinations to explore potential Best Management Practices (BMPs) for runoff-related-pollution reduction in a spatially explicit, agent based modeling system (QnD:GrangerDrain). Two regulatory scenarios were tested to BMP adoption within individual parcels. A blanket-style regulatory scenario simulated a total of 60 BMP combinations implemented in all 409 furrow-irrigated parcels. A second regulatory scenario simulated the BMPs in 119 furrow-irrigated parcels designated as "hotspots" based on a standard 12 Mg ha-1 seasonal sediment load. The simulated cumulative runoff and sediment loading from all BMP alternatives were ranked using Multiple Criteria Decision Analysis (MCDA), specifically the Stochastic Multi-Attribute Acceptability Analysis (SMAA) method. Several BMP combinations proved successful in reducing loads below a 25 NTU (91 mg L-1) regulatory sediment concentration. The QnD:GrangerDrain simulations and subsequent MCDA ranking revealed that the BMP combinations of 5 m-VFS and high furrow water efficiency were highly ranked alternatives for both the blanket and hotspot scenarios.

Three-phase compositional modeling of CO2 injection by higher-order finite element methods with CPA equation of state for aqueous phase

NASA Astrophysics Data System (ADS)

Moortgat, Joachim; Li, Zhidong; Firoozabadi, Abbas

2012-12-01

Most simulators for subsurface flow of water, gas, and oil phases use empirical correlations, such as Henry's law, for the CO2 composition in the aqueous phase, and equations of state (EOS) that do not represent the polar interactions between CO2and water. Widely used simulators are also based on lowest-order finite difference methods and suffer from numerical dispersion and grid sensitivity. They may not capture the viscous and gravitational fingering that can negatively affect hydrocarbon (HC) recovery, or aid carbon sequestration in aquifers. We present a three-phase compositional model based on higher-order finite element methods and incorporate rigorous and efficient three-phase-split computations for either three HC phases or water-oil-gas systems. For HC phases, we use the Peng-Robinson EOS. We allow solubility of CO2in water and adopt a new cubic-plus-association (CPA) EOS, which accounts for cross association between H2O and CO2 molecules, and association between H2O molecules. The CPA-EOS is highly accurate over a broad range of pressures and temperatures. The main novelty of this work is the formulation of a reservoir simulator with new EOS-based unique three-phase-split computations, which satisfy both the equalities of fugacities in all three phases and the global minimum of Gibbs free energy. We provide five examples that demonstrate twice the convergence rate of our method compared with a finite difference approach, and compare with experimental data and other simulators. The examples consider gravitational fingering during CO2sequestration in aquifers, viscous fingering in water-alternating-gas injection, and full compositional modeling of three HC phases.

Statistical Methods and Sampling Design for Estimating Step Trends in Surface-Water Quality

USGS Publications Warehouse

Hirsch, Robert M.

1988-01-01

This paper addresses two components of the problem of estimating the magnitude of step trends in surface water quality. The first is finding a robust estimator appropriate to the data characteristics expected in water-quality time series. The J. L. Hodges-E. L. Lehmann class of estimators is found to be robust in comparison to other nonparametric and moment-based estimators. A seasonal Hodges-Lehmann estimator is developed and shown to have desirable properties. Second, the effectiveness of various sampling strategies is examined using Monte Carlo simulation coupled with application of this estimator. The simulation is based on a large set of total phosphorus data from the Potomac River. To assure that the simulated records have realistic properties, the data are modeled in a multiplicative fashion incorporating flow, hysteresis, seasonal, and noise components. The results demonstrate the importance of balancing the length of the two sampling periods and balancing the number of data values between the two periods.

A framework to simulate small shallow inland water bodies in semi-arid regions

NASA Astrophysics Data System (ADS)

Abbasi, Ali; Ohene Annor, Frank; van de Giesen, Nick

2017-12-01

In this study, a framework for simulating the flow field and heat transfer processes in small shallow inland water bodies has been developed. As the dynamics and thermal structure of these water bodies are crucial in studying the quality of stored water , and in assessing the heat fluxes from their surfaces as well, the heat transfer and temperature simulations were modeled. The proposed model is able to simulate the full 3-D water flow and heat transfer in the water body by applying complex and time varying boundary conditions. In this model, the continuity, momentum and temperature equations together with the turbulence equations, which comprise the buoyancy effect, have been solved. This model is built on the Reynolds Averaged Navier Stokes (RANS) equations with the widely used Boussinesq approach to solve the turbulence issues of the flow field. Micrometeorological data were obtained from an Automatic Weather Station (AWS) installed on the site and combined with field bathymetric measurements for the model. In the framework developed, a simple, applicable and generalizable approach is proposed for preparing the geometry of small shallow water bodies using coarsely measured bathymetry. All parts of the framework are based on open-source tools, which is essential for developing countries.

How do current irrigation practices perform? Evaluation of different irrigation scheduling approaches based on experiements and crop model simulations

NASA Astrophysics Data System (ADS)

Seidel, Sabine J.; Werisch, Stefan; Barfus, Klemens; Wagner, Michael; Schütze, Niels; Laber, Hermann

2014-05-01

The increasing worldwide water scarcity, costs and negative off-site effects of irrigation are leading to the necessity of developing methods of irrigation that increase water productivity. Various approaches are available for irrigation scheduling. Traditionally schedules are calculated based on soil water balance (SWB) calculations using some measure of reference evaporation and empirical crop coeffcients. These crop-specific coefficients are provided by the FAO but are also available for different regions (e.g. Germany). The approach is simple but there are several inaccuracies due to simplifications and limitations such as poor transferability. Crop growth models - which simulate the main physiological plant processes through a set of assumptions and calibration parameter - are widely used to support decision making, but also for yield gap or scenario analyses. One major advantage of mechanistic models compared to empirical approaches is their spatial and temporal transferability. Irrigation scheduling can also be based on measurements of soil water tension which is closely related to plant stress. Advantages of precise and easy measurements are able to be automated but face difficulties of finding the place where to probe especially in heterogenous soils. In this study, a two-year field experiment was used to extensively evaluate the three mentioned irrigation scheduling approaches regarding their efficiency on irrigation water application with the aim to promote better agronomic practices in irrigated horticulture. To evaluate the tested irrigation scheduling approaches, an extensive plant and soil water data collection was used to precisely calibrate the mechanistic crop model Daisy. The experiment was conducted with white cabbage (Brassica oleracea L.) on a sandy loamy field in 2012/13 near Dresden, Germany. Hereby, three irrigation scheduling approaches were tested: (i) two schedules were estimated based on SWB calculations using different crop coefficients, and (ii) one treatment was automatically drip irrigated using tensiometers (irrigation of 15 mm at a soil tension of -250 hPa at 30 cm soil depth). In treatment (iii), the irrigation schedule was estimated (using the same critera as in the tension-based treatment) applying the model Daisy partially calibrated against data of 2012. Moreover, one control treatment was minimally irrigated. Measured yield was highest for the tension-based treatment with a low irrigation water input (8.5 DM t/ha, 120 mm). Both SWB treatments showed lower yields and higher irrigation water input (both 8.3 DM t/ha, 306 and 410 mm). The simulation model based treatment yielded lower (7.5 DM t/ha, 106 mm) mainly due to drought stress caused by inaccurate simulation of the soil water dynamics and thus an overestimation of the soil moisture. The evaluation using the calibrated model estimated heavy deep percolation under both SWB treatments. Targeting the challenge to increase water productivity, soil water tension-based irrigation should be favoured. Irrigation scheduling based on SWB calculation requires accurate estimates of crop coefficients. A robust calibration of mechanistic crop models implies a high effort and can be recommended to farmers only to some extent but enables comprehensive crop growth and site analyses.

Prediction of potency of protease inhibitors using free energy simulations with polarizable quantum mechanics-based ligand charges and a hybrid water model.

PubMed

Das, Debananda; Koh, Yasuhiro; Tojo, Yasushi; Ghosh, Arun K; Mitsuya, Hiroaki

2009-12-01

Reliable and robust prediction of the binding affinity for drug molecules continues to be a daunting challenge. We simulated the binding interactions and free energy of binding of nine protease inhibitors (PIs) with wild-type and various mutant proteases by performing GBSA simulations in which each PI's partial charge was determined by quantum mechanics (QM) and the partial charge accounts for the polarization induced by the protease environment. We employed a hybrid solvation model that retains selected explicit water molecules in the protein with surface-generalized Born (SGB) implicit solvent. We examined the correlation of the free energy with the antiviral potency of PIs with regard to amino acid substitutions in protease. The GBSA free energy thus simulated showed strong correlations (r > 0.75) with antiviral IC(50) values of PIs when amino acid substitutions were present in the protease active site. We also simulated the binding free energy of PIs with P2-bis-tetrahydrofuranylurethane (bis-THF) or related cores, utilizing a bis-THF-containing protease crystal structure as a template. The free energy showed a strong correlation (r = 0.93) with experimentally determined anti-HIV-1 potency. The present data suggest that the presence of selected explicit water in protein and protein polarization-induced quantum charges for the inhibitor, compared to lack of explicit water and a static force-field-based charge model, can serve as an improved lead optimization tool and warrants further exploration.

Modeling hydrological controls on variations in peat water content, water table depth, and surface energy exchange of a boreal western Canadian fen peatland

NASA Astrophysics Data System (ADS)

Mezbahuddin, M.; Grant, R. F.; Flanagan, L. B.

2016-08-01

Improved predictive capacity of hydrology and surface energy exchange is critical for conserving boreal peatland carbon sequestration under drier and warmer climates. We represented basic processes for water and O2 transport and their effects on ecosystem water, energy, carbon, and nutrient cycling in a process-based model ecosys to simulate effects of seasonal and interannual variations in hydrology on peat water content, water table depth (WTD), and surface energy exchange of a Western Canadian fen peatland. Substituting a van Genuchten model (VGM) for a modified Campbell model (MCM) in ecosys enabled a significantly better simulation of peat moisture retention as indicated by higher modeled versus measured R2 and Willmot's index (d) with VGM (R2 0.7, d 0.8) than with MCM (R2 0.25, d 0.35) for daily peat water contents from a wetter year 2004 to a drier year 2009. With the improved peat moisture simulation, ecosys modeled hourly WTD and energy fluxes reasonably well (modeled versus measured R2: WTD 0.6, net radiation 0.99, sensible heat >0.8, and latent heat >0.85). Gradually declining ratios of precipitation to evapotranspiration and of lateral recharge to discharge enabled simulation of a gradual drawdown of growing season WTD and a consequent peat drying from 2004 to 2009. When WTD fell below a threshold of 0.35 m below the hollow surface, intense drying of mosses in ecosys caused a simulated reduction in evapotranspiration and an increase in Bowen ratio during late growing season that were consistent with measurements. Hence, using appropriate water desorption curve coupled with vertical-lateral hydraulic schemes is vital to accurately simulate peatland hydrology and energy balance.

Estimation of pollutant loads considering dam operation in Han River Basin by BASINS/Hydrological Simulation Program-FORTRAN.

PubMed

Jung, Kwang-Wook; Yoon, Choon-G; Jang, Jae-Ho; Kong, Dong-Soo

2008-01-01

Effective watershed management often demands qualitative and quantitative predictions of the effect of future management activities as arguments for policy makers and administration. The BASINS geographic information system was developed to compute total maximum daily loads, which are helpful to establish hydrological process and water quality modeling system. In this paper the BASINS toolkit HSPF model is applied in 20,271 km(2) large watershed of the Han River Basin is used for applicability of HSPF and BMPs scenarios. For proper evaluation of watershed and stream water quality, comprehensive estimation methods are necessary to assess large amounts of point source and nonpoint-source (NPS) pollution based on the total watershed area. In this study, The Hydrological Simulation Program-FORTRAN (HSPF) was estimated to simulate watershed pollutant loads containing dam operation and applied BMPs scenarios for control NPS pollution. The 8-day monitoring data (about three years) were used in the calibration and verification processes. Model performance was in the range of "very good" and "good" based on percent difference. The water-quality simulation results were encouraging for this large sizable watershed with dam operation practice and mixed land uses; HSPF proved adequate, and its application is recommended to simulate watershed processes and BMPs evaluation. IWA Publishing 2008.

Incorporating human-water dynamics in a hyper-resolution land surface model

NASA Astrophysics Data System (ADS)

Vergopolan, N.; Chaney, N.; Wanders, N.; Sheffield, J.; Wood, E. F.

2017-12-01

The increasing demand for water, energy, and food is leading to unsustainable groundwater and surface water exploitation. As a result, the human interactions with the environment, through alteration of land and water resources dynamics, need to be reflected in hydrologic and land surface models (LSMs). Advancements in representing human-water dynamics still leave challenges related to the lack of water use data, water allocation algorithms, and modeling scales. This leads to an over-simplistic representation of human water use in large-scale models; this is in turn leads to an inability to capture extreme events signatures and to provide reliable information at stakeholder-level spatial scales. The emergence of hyper-resolution models allows one to address these challenges by simulating the hydrological processes and interactions with the human impacts at field scales. We integrated human-water dynamics into HydroBlocks - a hyper-resolution, field-scale resolving LSM. HydroBlocks explicitly solves the field-scale spatial heterogeneity of land surface processes through interacting hydrologic response units (HRUs); and its HRU-based model parallelization allows computationally efficient long-term simulations as well as ensemble predictions. The implemented human-water dynamics include groundwater and surface water abstraction to meet agricultural, domestic and industrial water demands. Furthermore, a supply-demand water allocation scheme based on relative costs helps to determine sectoral water use requirements and tradeoffs. A set of HydroBlocks simulations over the Midwest United States (daily, at 30-m spatial resolution for 30 years) are used to quantify the irrigation impacts on water availability. The model captures large reductions in total soil moisture and water table levels, as well as spatiotemporal changes in evapotranspiration and runoff peaks, with their intensity related to the adopted water management strategy. By incorporating human-water dynamics in a hyper-resolution LSM this work allows for progress on hydrological monitoring and predictions, as well as drought preparedness and water impact assessments at relevant decision-making scales.

COMPILATION OF GROUND WATER MODELS

EPA Science Inventory

The full report presents an overview of currently available computer-based simulation models for ground-water flow, solute and heat transport, and hydrogeochemistry in both porous media and fractured rock. Separate sections address multiphase flow and related chemical species tra...

Estimated effects on water quality of Lake Houston from interbasin transfer of water from the Trinity River, Texas

USGS Publications Warehouse

Liscum, Fred; East, Jeffery W.

2000-01-01

The City of Houston is considering the transfer of water from the Trinity River to Lake Houston (on the San Jacinto River) to alleviate concerns about adequate water supplies for future water demands. The U.S. Geological Survey, in cooperation with the City of Houston, conducted a study to estimate the effects on the water quality of Lake Houston from the transfer of Trinity River water. A water-quality model, CE–QUAL–W2, was used to simulate six water-quality properties and constituents for scenarios of interbasin transfer of Trinity River water. Three scenarios involved the transferred Trinity River water augmenting streamflow in the East Fork of Lake Houston, and three scenarios involved the transferred water replacing streamflow from the West Fork of the San Jacinto River.The estimated effects on Lake Houston were determined by comparing volume-weighted daily mean water temperature, phosphorus, ammonia nitrogen, nitrite plus nitrate nitrogen, algal biomass, and dissolved oxygen simulated for each of the transfer scenarios to simulations for a base dataset. The effects of the interbasin transfer on Lake Houston do not appear to be detrimental to water temperature, ammonia nitrogen, or dissolved oxygen. Phosphorus and nitrite plus nitrate nitrogen showed fairly large changes when Trinity River water was transferred to replace West Fork San Jacinto River streamflow. Algal biomass showed large decreases when Trinity River water was transferred to augment East Fork Lake Houston streamflow and large increases when Trinity River water was transferred to replace West Fork San Jacinto River streamflow. Regardless of the scenario simulated, the model indicated that light was the limiting factor for algal biomass growth.

Detoxification of Chemical Warfare Agents Using a Zr6 -Based Metal-Organic Framework/Polymer Mixture.

PubMed

Moon, Su-Young; Proussaloglou, Emmanuel; Peterson, Gregory W; DeCoste, Jared B; Hall, Morgan G; Howarth, Ashlee J; Hupp, Joseph T; Farha, Omar K

2016-10-10

Owing to their high surface area, periodic distribution of metal sites, and water stability, zirconium-based metal-organic frameworks (Zr 6 -MOFs) have shown promising activity for the hydrolysis of nerve agents GD and VX, as well as the simulant, dimethyl 4-nitrophenylphosphate (DMNP), in buffered solutions. A hurdle to using MOFs for this application is the current need for a buffer solution. Here the destruction of the simulant DMNP, as well as the chemical warfare agents (GD and VX) through hydrolysis using a MOF catalyst mixed with a non-volatile, water-insoluble, heterogeneous buffer is reported. The hydrolysis of the simulant and nerve agents in the presence of the heterogeneous buffer was fast and effective. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Unraveling the Hydrology of the Glacierized Kaidu Basin by Integrating Multisource Data in the Tianshan Mountains, Northwestern China

NASA Astrophysics Data System (ADS)

Shen, Yan-Jun; Shen, Yanjun; Fink, Manfred; Kralisch, Sven; Brenning, Alexander

2018-01-01

Understanding the water balance, especially as it relates to the distribution of runoff components, is crucial for water resource management and coping with the impacts of climate change. However, hydrological processes are poorly known in mountainous regions due to data scarcity and the complex dynamics of snow and glaciers. This study aims to provide a quantitative comparison of gridded precipitation products in the Tianshan Mountains, located in Central Asia and in order to further understand the mountain hydrology and distribution of runoff components in the glacierized Kaidu Basin. We found that gridded precipitation products are affected by inconsistent biases based on a spatiotemporal comparison with the nearest weather stations and should be evaluated with caution before using them as boundary conditions in hydrological modeling. Although uncertainties remain in this data-scarce basin, driven by field survey data and bias-corrected gridded data sets (ERA-Interim and APHRODITE), the water balance and distribution of runoff components can be plausibly quantified based on the distributed hydrological model (J2000). We further examined parameter sensitivity and uncertainty with respect to both simulated streamflow and different runoff components based on an ensemble of simulations. This study demonstrated the possibility of integrating gridded products in hydrological modeling. The methodology used can be important for model applications and design in other data-scarce mountainous regions. The model-based simulation quantified the water balance and how the water resources are partitioned throughout the year in Tianshan Mountain basins, although the uncertainties present in this study result in important limitations.

Comparison of a Conceptual Groundwater Model and Physically Based Groundwater Mode

NASA Astrophysics Data System (ADS)

Yang, J.; Zammit, C.; Griffiths, J.; Moore, C.; Woods, R. A.

2017-12-01

Groundwater is a vital resource for human activities including agricultural practice and urban water demand. Hydrologic modelling is an important way to study groundwater recharge, movement and discharge, and its response to both human activity and climate change. To understand the groundwater hydrologic processes nationally in New Zealand, we have developed a conceptually based groundwater flow model, which is fully integrated into a national surface-water model (TopNet), and able to simulate groundwater recharge, movement, and interaction with surface water. To demonstrate the capability of this groundwater model (TopNet-GW), we applied the model to an irrigated area with water shortage and pollution problems in the upper Ruamahanga catchment in Great Wellington Region, New Zealand, and compared its performance with a physically-based groundwater model (MODFLOW). The comparison includes river flow at flow gauging sites, and interaction between groundwater and river. Results showed that the TopNet-GW produced similar flow and groundwater interaction patterns as the MODFLOW model, but took less computation time. This shows the conceptually-based groundwater model has the potential to simulate national groundwater process, and could be used as a surrogate for the more physically based model.

Nonlinear effects of locally heterogeneous hydraulic conductivity fields on regional stream-aquifer exchanges

NASA Astrophysics Data System (ADS)

Zhu, J.; Winter, C. L.; Wang, Z.

2015-11-01

Computational experiments are performed to evaluate the effects of locally heterogeneous conductivity fields on regional exchanges of water between stream and aquifer systems in the Middle Heihe River basin (MHRB) of northwestern China. The effects are found to be nonlinear in the sense that simulated discharges from aquifers to streams are systematically lower than discharges produced by a base model parameterized with relatively coarse effective conductivity. A similar, but weaker, effect is observed for stream leakage. The study is organized around three hypotheses: (H1) small-scale spatial variations of conductivity significantly affect regional exchanges of water between streams and aquifers in river basins, (H2) aggregating small-scale heterogeneities into regional effective parameters systematically biases estimates of stream-aquifer exchanges, and (H3) the biases result from slow paths in groundwater flow that emerge due to small-scale heterogeneities. The hypotheses are evaluated by comparing stream-aquifer fluxes produced by the base model to fluxes simulated using realizations of the MHRB characterized by local (grid-scale) heterogeneity. Levels of local heterogeneity are manipulated as control variables by adjusting coefficients of variation. All models are implemented using the MODFLOW (Modular Three-dimensional Finite-difference Groundwater Flow Model) simulation environment, and the PEST (parameter estimation) tool is used to calibrate effective conductivities defined over 16 zones within the MHRB. The effective parameters are also used as expected values to develop lognormally distributed conductivity (K) fields on local grid scales. Stream-aquifer exchanges are simulated with K fields at both scales and then compared. Results show that the effects of small-scale heterogeneities significantly influence exchanges with simulations based on local-scale heterogeneities always producing discharges that are less than those produced by the base model. Although aquifer heterogeneities are uncorrelated at local scales, they appear to induce coherent slow paths in groundwater fluxes that in turn reduce aquifer-stream exchanges. Since surface water-groundwater exchanges are critical hydrologic processes in basin-scale water budgets, these results also have implications for water resources management.

Figure of Merit for Asteroid Regolith Simulants

NASA Astrophysics Data System (ADS)

Metzger, P.; Britt, D.; Covey, S.; Lewis, J. S.

2017-09-01

High fidelity asteroid simulant has been developed, closely matching the mineral and elemental abundances of reference meteorites representing the target asteroid classes. The first simulant is a CI class based upon the Orgueil meteorite, and several other simulants are being developed. They will enable asteroid mining and water extraction tests, helping mature the technologies for space resource utilization for both commercial and scientific/exploration activities in space.

Numerical study of wind over breaking waves and generation of spume droplets

NASA Astrophysics Data System (ADS)

Yang, Zixuan; Tang, Shuai; Dong, Yu-Hong; Shen, Lian

2017-11-01

We present direct numerical simulation (DNS) results on wind over breaking waves. The air and water are simulated as a coherent system. The air-water interface is captured using a coupled level-set and volume-of-fluid method. The initial condition for the simulation is fully-developed wind turbulence over strongly-forced steep waves. Because wave breaking is an unsteady process, we use ensemble averaging of a large number of runs to obtain turbulence statistics. The generation and transport of spume droplets during wave breaking is also simulated. The trajectories of sea spray droplets are tracked using a Lagrangian particle tracking method. The generation of droplets is captured using a kinematic criterion based on the relative velocity of fluid particles of water with respect to the wave phase speed. From the simulation, we observe that the wave plunging generates a large vortex in air, which makes an important contribution to the suspension of sea spray droplets.

Model analysis of riparian buffer effectiveness for reducing nutrient inputs to streams in agricultural landscapes

NASA Astrophysics Data System (ADS)

McKane, R. B.; M, S.; F, P.; Kwiatkowski, B. L.; Rastetter, E. B.

2006-12-01

Federal and state agencies responsible for protecting water quality rely mainly on statistically-based methods to assess and manage risks to the nation's streams, lakes and estuaries. Although statistical approaches provide valuable information on current trends in water quality, process-based simulation models are essential for understanding and forecasting how changes in human activities across complex landscapes impact the transport of nutrients and contaminants to surface waters. To address this need, we developed a broadly applicable, process-based watershed simulator that links a spatially-explicit hydrologic model and a terrestrial biogeochemistry model (MEL). See Stieglitz et al. and Pan et al., this meeting, for details on the design and verification of this simulator. Here we apply the watershed simulator to a generalized agricultural setting to demonstrate its potential for informing policy and management decisions concerning water quality. This demonstration specifically explores the effectiveness of riparian buffers for reducing the transport of nitrogenous fertilizers from agricultural fields to streams. The interaction of hydrologic and biogeochemical processes represented in our simulator allows several important questions to be addressed. (1) For a range of upland fertilization rates, to what extent do riparian buffers reduce nitrogen inputs to streams? (2) How does buffer effectiveness change over time as the plant-soil system approaches N-saturation? (3) How can buffers be managed to increase their effectiveness, e.g., through periodic harvest and replanting? The model results illustrate that, while the answers to these questions depend to some extent on site factors (climatic regime, soil properties and vegetation type), in all cases riparian buffers have a limited capacity to reduce nitrogen inputs to streams where fertilization rates approach those typically used for intensive agriculture (e.g., 200 kg N per ha per year for corn in the U.S.A. Midwestern states). We also discuss how the insights gained from our approach cannot be achieved with modeling tools that are not both spatially explicit and process-based.

Two-dimensional water acoustic waveguide based on pressure compensation method

NASA Astrophysics Data System (ADS)

Zheng, Mingye; Chen, Yi; Liu, Xiaoning; Hu, Gengkai

2018-02-01

A two-dimensional (2D) waveguide is a basic facility for experiment measurement due to a much more simplified wave field pattern than that in free space. A waveguide for airborne sound is easily achieved with almost any solid plates. However, the design of a 2D water acoustic waveguide is still challenging because of unavailable solids with a sufficient large impedance difference from water. In this work, a new method of constructing a 2D water acoustic waveguide is proposed based on pressure compensation and has been verified by numerical simulation. A prototype of the water acoustic waveguide is fabricated and complemented by an acoustic pressure scanning system; the measured scattered pressure fields by air and aluminum cylinders both agree quite well with numerical simulations. Most acoustic pressure fields within a frequency range 7 kHz-15 kHz can be measured in this waveguide when the required scanning region is smaller than the aluminum plate area (1800 mm × 800 mm).

Carbon-Flow-Based Modeling of Ecophysiological Processes and Biomass Dynamics of Submersed Aquatic Plants

DTIC Science & Technology

2007-09-01

simulation modeling approach to describing carbon- flow-based, ecophysiological processes and biomass dynamics of fresh- water submersed aquatic plant...the distribution and abundance of SAV. In aquatic systems a small part of the irradiance can be reflected by the water surface, and further...to the fact that water temperatures in the lake were relatively low compared to air tem- peratures because of the large inflow of groundwater (Titus

Simulation of Nitrogen and Phosphorus Removal in Ecological Ditch Based on EFDC Model

NASA Astrophysics Data System (ADS)

Li, S. M.; Wang, X. L.; Zhou, Q. Y.; Han, N. N.

2018-03-01

Agricultural non-point source pollution threatens water quality and ecological system recently. To control it, the first and most important task is to control the migration and transformation of nitrogen and phosphorus in the agricultural ditches. An ecological ditch was designed, and according to the design a pilot device was built, the mechanism of N and P removal in ditches under the collaboration of aquatic organisms-hydraulic power was studied through the dynamic and static experiments, in order to find out the specific influences of different environmental factors such as influent concentration, influent flow and water level. The transport and diffusion of N and P in the ditch was simulated by a three dimensional water quality model EFDC, the simulation results and the experimental data were compared. The average relative errors of EFDC model simulated results were all less than 15%, which verified the reliability of the model.

Artificial intelligent techniques for optimizing water allocation in a reservoir watershed

NASA Astrophysics Data System (ADS)

Chang, Fi-John; Chang, Li-Chiu; Wang, Yu-Chung

2014-05-01

This study proposes a systematical water allocation scheme that integrates system analysis with artificial intelligence techniques for reservoir operation in consideration of the great uncertainty upon hydrometeorology for mitigating droughts impacts on public and irrigation sectors. The AI techniques mainly include a genetic algorithm and adaptive-network based fuzzy inference system (ANFIS). We first derive evaluation diagrams through systematic interactive evaluations on long-term hydrological data to provide a clear simulation perspective of all possible drought conditions tagged with their corresponding water shortages; then search the optimal reservoir operating histogram using genetic algorithm (GA) based on given demands and hydrological conditions that can be recognized as the optimal base of input-output training patterns for modelling; and finally build a suitable water allocation scheme through constructing an adaptive neuro-fuzzy inference system (ANFIS) model with a learning of the mechanism between designed inputs (water discount rates and hydrological conditions) and outputs (two scenarios: simulated and optimized water deficiency levels). The effectiveness of the proposed approach is tested on the operation of the Shihmen Reservoir in northern Taiwan for the first paddy crop in the study area to assess the water allocation mechanism during drought periods. We demonstrate that the proposed water allocation scheme significantly and substantially avails water managers of reliably determining a suitable discount rate on water supply for both irrigation and public sectors, and thus can reduce the drought risk and the compensation amount induced by making restrictions on agricultural use water.

Comparison of Heat and Bromide as Ground Water Tracers Near Streams

USGS Publications Warehouse

Constantz, J.; Cox, M.H.; Su, G.W.

2003-01-01

Heat and bromide were compared as tracers for examining stream/ground water exchanges along the middle reaches of the Santa Clara River, California, during a 10-hour surface water sodium bromide injection test. Three cross sections that comprise six shallow (<1 m) piezometers were installed at the upper, middle, and lower sections of a 17 km long study reach, to monitor temperatures and bromide concentrations in the shallow ground water beneath the stream. A heat and ground water transport simulation model and a closely related solute and ground water transport simulation model were matched up for comparison of simulated and observed temperatures and bromide concentrations in the streambed. Vertical, one-dimensional simulations of sediment temperature were fitted to observed temperature results, to yield apparent streambed hydraulic conductivities in each cross section. The temperature-based hydraulic conductivities were assigned to a solute and ground water transport model to predict sediment bromide concentrations, during the sodium bromide injection test. Vertical, one-dimensional simulations of bromide concentrations in the sediments yielded a good match to the observed bromide concentrations, without adjustment of any model parameters except solute dispersivities. This indicates that, for the spatial and temporal scales examined on the Santa Clara River, the use of heat and bromide as tracers provide comparable information with respect to apparent hydraulic conductivities and fluxes for sediments near streams. In other settings, caution should be used due to differences in the nature of conservative (bromide) versus nonconservative (heat) tracers, particularly when preferential flowpaths are present.

Simulation of Hydrodynamics and Water Quality in Pueblo Reservoir, Southeastern Colorado, for 1985 through 1987 and 1999 through 2002

USGS Publications Warehouse

Galloway, Joel M.; Ortiz, Roderick F.; Bales, Jerad D.; Mau, David P.

2008-01-01

Pueblo Reservoir is west of Pueblo, Colorado, and is an important water resource for southeastern Colorado. The reservoir provides irrigation, municipal, and industrial water to various entities throughout the region. In anticipation of increased population growth, the cities of Colorado Springs, Fountain, Security, and Pueblo West have proposed building a pipeline that would be capable of conveying 78 million gallons of raw water per day (240 acre-feet) from Pueblo Reservoir. The U.S. Geological Survey, in cooperation with Colorado Springs Utilities and the Bureau of Reclamation, developed, calibrated, and verified a hydrodynamic and water-quality model of Pueblo Reservoir to describe the hydrologic, chemical, and biological processes in Pueblo Reservoir that can be used to assess environmental effects in the reservoir. Hydrodynamics and water-quality characteristics in Pueblo Reservoir were simulated using a laterally averaged, two-dimensional model that was calibrated using data collected from October 1985 through September 1987. The Pueblo Reservoir model was calibrated based on vertical profiles of water temperature and dissolved-oxygen concentration, and water-quality constituent concentrations collected in the epilimnion and hypolimnion at four sites in the reservoir. The calibrated model was verified with data from October 1999 through September 2002, which included a relatively wet year (water year 2000), an average year (water year 2001), and a dry year (water year 2002). Simulated water temperatures compared well to measured water temperatures in Pueblo Reservoir from October 1985 through September 1987. Spatially, simulated water temperatures compared better to measured water temperatures in the downstream part of the reservoir than in the upstream part of the reservoir. Differences between simulated and measured water temperatures also varied through time. Simulated water temperatures were slightly less than measured water temperatures from March to May 1986 and 1987, and slightly greater than measured data in August and September 1987. Relative to the calibration period, simulated water temperatures during the verification period did not compare as well to measured water temperatures. In general, simulated dissolved-oxygen concentrations for the calibration period compared well to measured concentrations in Pueblo Reservoir. Spatially, simulated concentrations deviated more from the measured values at the downstream part of the reservoir than at other locations in the reservoir. Overall, the absolute mean error ranged from 1.05 (site 1B) to 1.42 milligrams per liter (site 7B), and the root mean square error ranged from 1.12 (site 1B) to 1.67 milligrams per liter (site 7B). Simulated dissolved oxygen in the verification period compared better to the measured concentrations than in the calibration period. The absolute mean error ranged from 0.91 (site 5C) to 1.28 milligrams per liter (site 7B), and the root mean square error ranged from 1.03 (site 5C) to 1.46 milligrams per liter (site 7B). Simulated total dissolved solids generally were less than measured total dissolved-solids concentrations in Pueblo Reservoir from October 1985 through September 1987. The largest differences between simulated and measured total dissolved solids were observed at the most downstream sites in Pueblo Reservoir during the second year of the calibration period. Total dissolved-solids data were not available from reservoir sites during the verification period, so in-reservoir specific-conductance data were compared to simulated total dissolved solids. Simulated total dissolved solids followed the same patterns through time as the measured specific conductance data during the verification period. Simulated total nitrogen concentrations compared relatively well to measured concentrations in the Pueblo Reservoir model. The absolute mean error ranged from 0.21 (site 1B) to 0.27 milligram per liter as nitrogen (sites 3B and 7

Estimation of open water evaporation using land-based meteorological data

NASA Astrophysics Data System (ADS)

Li, Fawen; Zhao, Yong

2017-10-01

Water surface evaporation is an important process in the hydrologic and energy cycles. Accurate simulation of water evaporation is important for the evaluation of water resources. In this paper, using meteorological data from the Aixinzhuang reservoir, the main factors affecting water surface evaporation were determined by the principal component analysis method. To illustrate the influence of these factors on water surface evaporation, the paper first adopted the Dalton model to simulate water surface evaporation. The results showed that the simulation precision was poor for the peak value zone. To improve the model simulation's precision, a modified Dalton model considering relative humidity was proposed. The results show that the 10-day average relative error is 17.2%, assessed as qualified; the monthly average relative error is 12.5%, assessed as qualified; and the yearly average relative error is 3.4%, assessed as excellent. To validate its applicability, the meteorological data of Kuancheng station in the Luan River basin were selected to test the modified model. The results show that the 10-day average relative error is 15.4%, assessed as qualified; the monthly average relative error is 13.3%, assessed as qualified; and the yearly average relative error is 6.0%, assessed as good. These results showed that the modified model had good applicability and versatility. The research results can provide technical support for the calculation of water surface evaporation in northern China or similar regions.

GROMOS polarizable charge-on-spring models for liquid urea: COS/U and COS/U2

NASA Astrophysics Data System (ADS)

Lin, Zhixiong; Bachmann, Stephan J.; van Gunsteren, Wilfred F.

2015-03-01

Two one-site polarizable urea models, COS/U and COS/U2, based on the charge-on-spring model are proposed. The models are parametrized against thermodynamic properties of urea-water mixtures in combination with the polarizable COS/G2 and COS/D2 models for liquid water, respectively, and have the same functional form of the inter-atomic interaction function and are based on the same parameter calibration procedure and type of experimental data as used to develop the GROMOS biomolecular force field. Thermodynamic, dielectric, and dynamic properties of urea-water mixtures simulated using the polarizable models are closer to experimental data than using the non-polarizable models. The COS/U and COS/U2 models may be used in biomolecular simulations of protein denaturation.

Three-dimensional steady-state simulation of flow in the sand-and-gravel aquifer, southern Escambia County, Florida

USGS Publications Warehouse

Trapp, Henry; Geiger, L.H.

1986-01-01

The sand-and-gravel aquifer is the only freshwater aquifer in southern Escambia County, Florida and is the source of public water supply for the area, including the City of Pensacola. The aquifer was simulated by a two-layer, digital model to provide hydrologic information for water resource planning. The lower layer represents the main-producing zone; the upper layer represents all of the aquifer above the main-producing zone including an unconfined zone and discontinuous perched, confined , and confining zones. The model was designed for steady-state simulation and predicts the response of the aquifer (changes in water levels) to groundwater pumping where steady-state conditions have been reached. Input to the model includes matrices representing constant-head nodes, starting head, transmissivity of layer 1, leakance between layers 1 and 2, lateral hydraulic conductivity of layer 2, and altitude of the base layer 2. The sources of water to the model are from recharge by infiltrated precipitation (estimated from base runoff), inflow across boundaries, and induced recharge from river leakance in periods of prolonged groundwater pumping. Model output includes final head and drawdown for each layer and total values for discharge and recharge in the model area. The model was calibrated for 1972 pumping and tested by simulating pumpages during 1939-40, 1958, and 1977. Sensitivity analyses showed water levels in both layers were most sensitive to changes in the recharge matrix and least sensitive to river leakage. Suggestions for further development of the model include subdivision and expansion of the grid, assignment of storage coefficients for transient simulations, more intensive study of the stream-aquifer relations, and consideration of the effects of infiltration basins on recharge. (Author 's abstract)

A component-based, integrated spatially distributed hydrologic/water quality model: AgroEcoSystem-Watershed (AgES-W) overview and application

USDA-ARS?s Scientific Manuscript database

AgroEcoSystem-Watershed (AgES-W) is a modular, Java-based spatially distributed model which implements hydrologic/water quality simulation components. The AgES-W model was previously evaluated for streamflow and recently has been enhanced with the addition of nitrogen (N) and sediment modeling compo...

Simulating Daily and Sub-daily Water Flow in Large, Semi-arid Watershed Using SWAT: A Case Study of Nueces River Basin, Texas

NASA Astrophysics Data System (ADS)

Bassam, S.; Ren, J.

2015-12-01

Runoff generated during heavy rainfall imposes quick, but often intense, changes in the flow of streams, which increase the chance of flash floods in the vicinity of the streams. Understanding the temporal response of streams to heavy rainfall requires a hydrological model that considers meteorological, hydrological, and geological components of the streams and their watersheds. SWAT is a physically-based, semi-distributed model that is capable of simulating water flow within watersheds with both long-term, i.e. annually and monthly, and short-term (daily and sub-daily) time scales. However, the capability of SWAT in sub-daily water flow modeling within large watersheds has not been studied much, compare to long-term and daily time scales. In this study we are investigating the water flow in a large, semi-arid watershed, Nueces River Basin (NRB) with the drainage area of 16950 mi2 located in South Texas, with daily and sub-daily time scales. The objectives of this study are: (1) simulating the response of streams to heavy, and often quick, rainfall, (2) evaluating SWAT performance in sub-daily modeling of water flow within a large watershed, and (3) examining means for model performance improvement during model calibration and verification based on results of sensitivity and uncertainty analysis. The results of this study can provide important information for water resources planning during flood seasons.

Development of a Spatial and Temporal Agent-Based Model for Studying Water and Health Relationships: The Case Study of Two Villages in Limpopo, South Africa

PubMed Central

Demarest, Jeffrey; Pagsuyoin, Sheree; Learmonth, Gerard; Mellor, Jonathan; Dillingham, Rebecca

2014-01-01

Diarrhea, the second leading cause of child morbidity and mortality, can have detrimental effects in the physical and cognitive development of children in developing countries. Health interventions (e.g., increased access to health services and safe water) designed to address this problem are difficult to implement in resource-limited settings. In this paper, we present a tool for understanding the complex relationship between water and public health in rural areas of a developing country. A spatial and temporal agent-based model (ABM) was developed to simulate the current water, sanitation, and health status in two villages in Limpopo Province, South Africa. The model was calibrated using empirical data and published sources. It was used to simulate the effects of poor water quality on the frequency of diarrheal episodes in children, and consequently on child development. Preliminary simulation results show that at the current total coliform levels in the water sources of the studied villages, children are expected to experience stunting by as much as −1.0 standard deviations from the World Health Organization height norms. With minor modifications, the calibrated ABM can be used to design and evaluate intervention strategies for improving child health in these villages. The model can also be applied to other regions worldwide that face the same environmental challenges and conditions as the studied villages. PMID:25530709

Computational study of ibuprofen removal from water by adsorption in realistic activated carbons.

PubMed

Bahamon, Daniel; Carro, Leticia; Guri, Sonia; Vega, Lourdes F

2017-07-15

Molecular simulations using the Grand Canonical Monte Carlo (GCMC) method have been performed in order to obtain physical insights on how the interaction between ibuprofen (IBP) and activated carbons (ACs) in aqueous mixtures affects IBP removal from water by ACs. A nanoporous carbon model based on units of polyaromatic molecules with different number of rings, defects and polar-oxygenated sites is described. Individual effects of factors such as porous features and chemical heterogeneities in the adsorbents are investigated and quantified. Results are in good agreement with experimental adsorption data, highlightening the ability of GCMC simulation to describe the macroscopic adsorption performance in drug removal applications, while also providing additional insights into the IBP/water adsorption mechanism. The simulation results allow finding the optimal type of activated carbon material for separating this pollutant in water treatment. Copyright © 2017 Elsevier Inc. All rights reserved.

Simulating low-flow conditions in an arctic watershed using WaSiM

NASA Astrophysics Data System (ADS)

Daanen, R. P.; Gaedeke, A.; Liljedahl, A. K.; Arp, C. D.; Whitman, M. S.; Jones, B. M.; Cai, L.; Alexeev, V. A.

2017-12-01

The goal of this study is to identify the magnitude, timing, and duration of low-flow conditions under scenarios of summer drought throughout the 4500-km2 Fish Creek watershed, which is set entirely on the Arctic Coastal Plain of northern Alaska. The hydrologic response of streams in this region to drought conditions is not well understood, but likely varies by stream size, upstream lake extent, and geologic setting. We used a physically based model, Water Balance Simulation Model (WaSiM) to simulate river discharge, surface runoff, active layer depth, soil temperatures, water levels, groundwater levels, groundwater flow, and snow distribution. We found that 7-day low flows were strongly affected by scenarios of drought or wet conditions. The 10-year-period scenarios were generated by selecting dry or wet years from a reanalysis dataset. Starting conditions for the simulations were based on a control run with average atmospheric conditions. Connectivity of lakes with better feeding conditions for fish significantly decreased in the scenarios of both summer and winter drought. The overall memory of the hydrologic network seems to be on the order of two to three years, based on the time to reach equilibrium hydrological conditions. This suggests that lake level fluctuation and water harvest could have a long-term effect on the connectivity of lakes. Climate change could strongly affect this system, and increased future water use could add more pressure on fish populations. Snowmelt is a major component of the water balance in a typical Arctic watershed and fish tend to migrate to their summer feeding lakes during the spring. Mid-summer periods without significant rainfall prove most limiting on fish movement, and during this time headwater lakes supply the majority of streamflow and are often the habitat destination for foraging fish. Models that predict connectivity of these lakes to downstream networks during low-flow conditions will help identify where lake water extraction for winter water supply should be managed more conservatively. A better understanding of how these responses vary in this watershed will help guide management of fish habitat and lake water extraction in the National Petroleum Reserve - Alaska (NPR-A), where the Fish Creek watershed is located.

Water-mediated contacts in the trp-repressor operator complex recognition process.

PubMed

Wibowo, Fajar R; Rauch, Christine; Trieb, Michael; Wellenzohn, Bernd; Liedl, Klaus R

2004-04-15

Water-mediated contacts are known as an important recognition tool in trp-repressor operator systems. One of these contacts involves two conserved base pairs (G(6).C(-6) and A(5). T(-5)) and three amino acids (Lys 72, Ile 79, and Ala 80). To investigate the nature of these contacts, we analyzed the X-ray structure (PDB code: 1TRO) of the trp-repressor operator complex by means of molecular dynamics simulations. This X-ray structure contains two dimers that exhibit structural differences. From these two different starting structures, two 10 ns molecular dynamics simulations have been performed. Both of our simulations show an increase of water molecules in the major groove at one side of the dimer, while the other side remains unchanged compared to the X-ray structure. Though the maximum residence time of the concerned water molecules decreases with an increase of solvent at the interface, these water molecules continue to play an important role in mediating DNA-protein contacts. This is shown by new stable amino acids-DNA distances and a long water residence time compared to free DNA simulation. To maintain stability of the new contacts, the preferential water binding site on O6(G6) is extended. This extension agrees with mutation experiment data on A5 and G6, which shows different relative affinity due to mutation on these bases [A. Joachimiak, T. E. Haran, P. B. Sigler, EMBO Journal 1994, Vol. 13, No. (2) pp. 367-372]. Due to the rearrangements in the system, the phosphate of the base G6 is able to interconvert to the B(II) substate, which is not observed on the other half side of the complex. The decrease of the number of hydrogen bonds between protein and DNA backbone could be the initial step of the dissociation process of the complex, or in other words an intermediate complex conformation of the association process. Thus, we surmise that these features show the importance of water-mediated contacts in the trp-repressor operator recognition process. Copyright 2004 Wiley Periodicals, Inc.

Interactive Web-based Floodplain Simulation System for Realistic Experiments of Flooding and Flood Damage

NASA Astrophysics Data System (ADS)

Demir, I.

2013-12-01

Recent developments in web technologies make it easy to manage and visualize large data sets with general public. Novel visualization techniques and dynamic user interfaces allow users to create realistic environments, and interact with data to gain insight from simulations and environmental observations. The floodplain simulation system is a web-based 3D interactive flood simulation environment to create real world flooding scenarios. The simulation systems provides a visually striking platform with realistic terrain information, and water simulation. Students can create and modify predefined scenarios, control environmental parameters, and evaluate flood mitigation techniques. The web-based simulation system provides an environment to children and adults learn about the flooding, flood damage, and effects of development and human activity in the floodplain. The system provides various scenarios customized to fit the age and education level of the users. This presentation provides an overview of the web-based flood simulation system, and demonstrates the capabilities of the system for various flooding and land use scenarios.

Assessment of a ground water flow model of the Bangkok Basin, Thailand, using carbon-14-based ages and paleohydrology

USGS Publications Warehouse

Sanford, W.E.; Buapeng, S.

1996-01-01

A study was undertaken to understand the groundwater flow conditions in the Bangkok Basin, Thailand, by comparing 14C-based and simulated groundwater ages. 14C measurements were made on about 50 water samples taken from wells throughout the basin. Simulated ages were obtained using 1) backward-pathline tracking based on the well locations, and 2) results from a three-dimensional groundwater flow model. Comparisons of ages at these locations reveal a large difference between 14C-based ages and ages predicted by the steady-state groundwater flow model. Mainly, 14C and 13C analyses indicate that groundwater in the Bangkok area is about 20,000 years old, whereas steady-state flow and transport simulations imply that groundwater in the Bangkok area is 50,000-100,000 years old. One potential reason for the discrepancy between simulated and 14C-based ages is the assumption in the model of steady-state flow. Groundwater velocities were probably greater in the region before about 10,000 years ago, during the last glacial maximum, because of the lower position of sea level and the absence of the surficial Bangkok Clay. Paleoflow conditions were estimated and then incorporated into a second set of simulations. The new assumption was that current steady-state flow conditions existed for the last 8,000 years but were preceded by steady-state conditions representative of flow during the last glacial maximum. This "transient" paleohydrologic simulation yielded a mean simulated age that more closely agrees with the mean 14C-based age, especially if the 14C-based age is corrected for diffusion into clay layers. Although the uncertainties in both the simulated and 14C-based ages are nontrivial, the magnitude of the improved match in the mean age using a paleohydrologic simulation instead of a steady-state simulation suggests that flow conditions in the basin have changed significantly over the last 10,000-20,000 years. Given that the valid age range of 14C-dating methods and the timing of the last glacial maximum are of similar magnitude, adjustments for paleohydrologic conditions may be required for many such studies.

2D-HB-Network at the air-water interface: A structural and dynamical characterization by means of ab initio and classical molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Pezzotti, Simone; Serva, Alessandra; Gaigeot, Marie-Pierre

2018-05-01

Following our previous work where the existence of a special 2-Dimensional H-Bond (2D-HB)-Network was revealed at the air-water interface [S. Pezzotti et al., J. Phys. Chem. Lett. 8, 3133 (2017)], we provide here a full structural and dynamical characterization of this specific arrangement by means of both Density Functional Theory based and Force Field based molecular dynamics simulations. We show in particular that water at the interface with air reconstructs to maximize H-Bonds formed between interfacial molecules, which leads to the formation of an extended and non-interrupted 2-Dimensional H-Bond structure involving on average ˜90% of water molecules at the interface. We also show that the existence of such an extended structure, composed of H-Bonds all oriented parallel to the surface, constrains the reorientional dynamics of water that is hence slower at the interface than in the bulk. The structure and dynamics of the 2D-HB-Network provide new elements to possibly rationalize several specific properties of the air-water interface, such as water surface tension, anisotropic reorientation of interfacial water under an external field, and proton hopping.

A multi-scale ''soil water structure'' model based on the pedostructure concept

NASA Astrophysics Data System (ADS)

Braudeau, E.; Mohtar, R. H.; El Ghezal, N.; Crayol, M.; Salahat, M.; Martin, P.

2009-02-01

Current soil water models do not take into account the internal organization of the soil medium and, a fortiori, the physical interaction between the water film surrounding the solid particles of the soil structure, and the surface charges of this structure. In that sense they empirically deal with the physical soil properties that are all generated from this soil water-structure interaction. As a result, the thermodynamic state of the soil water medium, which constitutes the local physical conditions, namely the pedo-climate, for biological and geo-chemical processes in soil, is not defined in these models. The omission of soil structure from soil characterization and modeling does not allow for coupling disciplinary models for these processes with soil water models. This article presents a soil water structure model, Kamel®, which was developed based on a new paradigm in soil physics where the hierarchical soil structure is taken into account allowing for defining its thermodynamic properties. After a review of soil physics principles which forms the basis of the paradigm, we describe the basic relationships and functionality of the model. Kamel® runs with a set of 15 soil input parameters, the pedohydral parameters, which are parameters of the physically-based equations of four soil characteristic curves that can be measured in the laboratory. For cases where some of these parameters are not available, we show how to estimate these parameters from commonly available soil information using published pedotransfer functions. A published field experimental study on the dynamics of the soil moisture profile following a pounded infiltration rainfall event was used as an example to demonstrate soil characterization and Kamel® simulations. The simulated soil moisture profile for a period of 60 days showed very good agreement with experimental field data. Simulations using input data calculated from soil texture and pedotransfer functions were also generated and compared to simulations of the more ideal characterization. The later comparison illustrates how Kamel® can be used and adapt to any case of soil data availability. As physically based model on soil structure, it may be used as a standard reference to evaluate other soil-water models and also pedotransfer functions at a given location or agronomical situation.

Skin hydration analysis by experiment and computer simulations and its implications for diapered skin.

PubMed

Saadatmand, M; Stone, K J; Vega, V N; Felter, S; Ventura, S; Kasting, G; Jaworska, J

2017-11-01

Experimental work on skin hydration is technologically challenging, and mostly limited to observations where environmental conditions are constant. In some cases, like diapered baby skin, such work is practically unfeasible, yet it is important to understand potential effects of diapering on skin condition. To overcome this challenge, in part, we developed a computer simulation model of reversible transient skin hydration effects. Skin hydration model by Li et al. (Chem Eng Sci, 138, 2015, 164) was further developed to simulate transient exposure conditions where relative humidity (RH), wind velocity, air, and skin temperature can be any function of time. Computer simulations of evaporative water loss (EWL) decay after different occlusion times were compared with experimental data to calibrate the model. Next, we used the model to investigate EWL and SC thickness in different diapering scenarios. Key results from the experimental work were: (1) For occlusions by RH=100% and free water longer than 30 minutes the absorbed amount of water is almost the same; (2) Longer occlusion times result in higher water absorption by the SC. The EWL decay and skin water content predictions were in agreement with experimental data. Simulations also revealed that skin under occlusion hydrates mainly because the outflux is blocked, not because it absorbs water from the environment. Further, simulations demonstrated that hydration level is sensitive to time, RH and/or free water on skin. In simulated diapering scenarios, skin maintained hydration content very close to the baseline conditions without a diaper for the entire duration of a 24 hours period. Different diapers/diaper technologies are known to have different profiles in terms of their ability to provide wetness protection, which can result in consumer-noticeable differences in wetness. Simulation results based on published literature using data from a number of different diapers suggest that diapered skin hydrates within ranges considered reversible. © 2017 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Coupled stochastic soil moisture simulation-optimization model of deficit irrigation

NASA Astrophysics Data System (ADS)

Alizadeh, Hosein; Mousavi, S. Jamshid

2013-07-01

This study presents an explicit stochastic optimization-simulation model of short-term deficit irrigation management for large-scale irrigation districts. The model which is a nonlinear nonconvex program with an economic objective function is built on an agrohydrological simulation component. The simulation component integrates (1) an explicit stochastic model of soil moisture dynamics of the crop-root zone considering interaction of stochastic rainfall and irrigation with shallow water table effects, (2) a conceptual root zone salt balance model, and 3) the FAO crop yield model. Particle Swarm Optimization algorithm, linked to the simulation component, solves the resulting nonconvex program with a significantly better computational performance compared to a Monte Carlo-based implicit stochastic optimization model. The model has been tested first by applying it in single-crop irrigation problems through which the effects of the severity of water deficit on the objective function (net benefit), root-zone water balance, and irrigation water needs have been assessed. Then, the model has been applied in Dasht-e-Abbas and Ein-khosh Fakkeh Irrigation Districts (DAID and EFID) of the Karkheh Basin in southwest of Iran. While the maximum net benefit has been obtained for a stress-avoidance (SA) irrigation policy, the highest water profitability has been resulted when only about 60% of the water used in the SA policy is applied. The DAID with respectively 33% of total cultivated area and 37% of total applied water has produced only 14% of the total net benefit due to low-valued crops and adverse soil and shallow water table conditions.

Groundwater-level change and evaluation of simulated water levels for irrigated areas in Lahontan Valley, Churchill County, west-central Nevada, 1992 to 2012

USGS Publications Warehouse

Smith, David W.; Buto, Susan G.; Welborn, Toby L.

2016-09-14

The acquisition and transfer of water rights to wetland areas of Lahontan Valley, Nevada, has caused concern over the potential effects on shallow aquifer water levels. In 1992, water levels in Lahontan Valley were measured to construct a water-table map of the shallow aquifer prior to the effects of water-right transfers mandated by the Fallon Paiute-Shoshone Tribal Settlement Act of 1990 (Public Law 101-618, 104 Stat. 3289). From 1992 to 2012, approximately 11,810 water-righted acres, or 34,356 acre-feet of water, were acquired and transferred to wetland areas of Lahontan Valley. This report documents changes in water levels measured during the period of water-right transfers and presents an evaluation of five groundwater-flow model scenarios that simulated water-level changes in Lahontan Valley in response to water-right transfers and a reduction in irrigation season length by 50 percent.Water levels measured in 98 wells from 2012 to 2013 were used to construct a water-table map. Water levels in 73 of the 98 wells were compared with water levels measured in 1992 and used to construct a water-level change map. Water-level changes in the 73 wells ranged from -16.2 to 4.1 feet over the 20-year period. Rises in water levels in Lahontan Valley may correspond to annual changes in available irrigation water, increased canal flows after the exceptionally dry and shortened irrigation season of 1992, and the increased conveyance of water rights transferred to Stillwater National Wildlife Refuge. Water-level declines generally occurred near the boundary of irrigated areas and may be associated with groundwater pumping, water-right transfers, and inactive surface-water storage reservoirs. The largest water-level declines were in the area near Carson Lake.Groundwater-level response to water-right transfers was evaluated by comparing simulated and observed water-level changes for periods representing water-right transfers and a shortened irrigation season in areas near Fallon and Stillwater, Nevada. In the Stillwater modeled area, water rights associated with nearly 50 percent of the irrigated land were transferred from 1992 to 1998, represented by the model scenario reduction in groundwater recharge by 50 percent. The scenario resulted in a simulated average decline of 0.6 foot; average observed water-level change for the modeled area was estimated to be 0.0 foot, or no change. In the Fallon modeled area, transfers of water rights associated with 180 acres of land occurred from 1994 to 2008. The transfer is most similar to the scenario for removal of 320 acres of irrigated land. The model scenario resulted in simulated water-level declines of 0.1; water levels measured from 1994 to 2012 indicate no significant trends in water levels, or approximately zero change in water levels, for the Fallon modeled area.The model scenarios included the simulation of a irrigation season shortened by 50 percent, which was determined to have occurred in the 1992 irrigation season in both modeled areas. The shortening of the irrigation season in the Fallon modeled area resulted in simulated water-level declines of 1.1 feet; observed declines were estimated to be 1.3 feet. The Stillwater model simulations resulted in a simulated decline of 1.4 feet, and observed water levels declined an estimated 2.3 feet for the area. The estimated difference between simulated and observed water levels are 0.2 and 0.9 foot for the Fallon and Stillwater modeled areas, respectively. Observed water-level changes were generally within one standard deviation of changes from model simulations, based on the selected periods of comparison. Simulated and observed water-level changes agree well, generally within 1 foot; however, the model scenarios were only approximately similar to the observed conditions, and periods of comparison were generally shorter for the observed periods and included additional cumulative effects of water-right transfers. Climate variability was not considered in the model scenarios.

Removing systematic errors in interionic potentials of mean force computed in molecular simulations using reaction-field-based electrostatics

PubMed Central

Baumketner, Andrij

2009-01-01

The performance of reaction-field methods to treat electrostatic interactions is tested in simulations of ions solvated in water. The potential of mean force between sodium chloride pair of ions and between side chains of lysine and aspartate are computed using umbrella sampling and molecular dynamics simulations. It is found that in comparison with lattice sum calculations, the charge-group-based approaches to reaction-field treatments produce a large error in the association energy of the ions that exhibits strong systematic dependence on the size of the simulation box. The atom-based implementation of the reaction field is seen to (i) improve the overall quality of the potential of mean force and (ii) remove the dependence on the size of the simulation box. It is suggested that the atom-based truncation be used in reaction-field simulations of mixed media. PMID:19292522

Modeling sedimentation-filtration basins for urban watersheds using Soil and Water Assessment Tool

USDA-ARS?s Scientific Manuscript database

Sedimentation-filtration (SedFil) basins are one of the storm-water best management practices (BMPs) that are intended to mitigate water quality problems in urban creeks and rivers. A new physically based model of variably saturated flows was developed for simulating flow and sediment in SedFils wi...

Mathematical model of water transport in Bacon and alkaline matrix-type hydrogen-oxygen fuel cells

NASA Technical Reports Server (NTRS)

Prokopius, P. R.; Easter, R. W.

1972-01-01

Based on general mass continuity and diffusive transport equations, a mathematical model was developed that simulates the transport of water in Bacon and alkaline-matrix fuel cells. The derived model was validated by using it to analytically reproduce various Bacon and matrix-cell experimental water transport transients.

Numerical simulation of the environmental impact of hydraulic fracturing of tight/shale gas reservoirs on near-surface ground water: background, base cases, shallow reservoirs, short-term gas and water transport

EPA Pesticide Factsheets

Researchers examined gas and water transport between a deep tight shale gas reservoir and a shallow overlying aquifer in the two years following hydraulic fracturing, assuming a pre-existing connecting pathway.

Microphase Separation in Oil-Water Mixtures Containing Hydrophilic and Hydrophobic Ions

NASA Astrophysics Data System (ADS)

Tasios, Nikos; Samin, Sela; van Roij, René; Dijkstra, Marjolein

2017-11-01

We develop a lattice-based Monte Carlo simulation method for charged mixtures capable of treating dielectric heterogeneities. Using this method, we study oil-water mixtures containing an antagonistic salt, with hydrophilic cations and hydrophobic anions. Our simulations reveal several phases with a spatially modulated solvent composition, in which the ions partition between water-rich and water-poor regions according to their affinity. In addition to the recently observed lamellar phase, we find tubular and droplet phases, reminiscent of those found in block copolymers and surfactant systems. Interestingly, these structures stem from ion-mediated interactions, which allows for tuning of the phase behavior via the concentrations, the ionic properties, and the temperature.

Elemental Water Impact Test: Phase 2 36-Inch Aluminum Tank Head

NASA Technical Reports Server (NTRS)

Vassilakos, Gregory J.

2014-01-01

Spacecraft are being designed based on LS-DYNA simulations of water landing impacts. The Elemental Water Impact Test (EWIT) series was undertaken to assess the accuracy of LS-DYNA water impact simulations. EWIT Phase 2 featured a 36-inch aluminum tank head. The tank head was outfitted with one accelerometer, twelve pressure transducers, three string potentiometers, and four strain gages. The tank head was dropped from heights of 1 foot and 2 feet. The focus of this report is the correlation of analytical models against test data. As a measure of prediction accuracy, peak responses from the baseline LS-DYNA model were compared to peak responses from the tests.

Density functional theory based molecular dynamics study of hydration and electronic properties of aqueous La(3+).

PubMed

Terrier, Cyril; Vitorge, Pierre; Gaigeot, Marie-Pierre; Spezia, Riccardo; Vuilleumier, Rodolphe

2010-07-28

Structural and electronic properties of La(3+) immersed in bulk water have been assessed by means of density functional theory (DFT)-based Car-Parrinello molecular dynamics (CPMD) simulations. Correct structural properties, i.e., La(III)-water distances and La(III) coordination number, can be obtained within the framework of Car-Parrinello simulations providing that both the La pseudopotential and conditions of the dynamics (fictitious mass and time step) are carefully set up. DFT-MD explicitly treats electronic densities and is shown here to provide a theoretical justification to the necessity of including polarization when studying highly charged cations such as lanthanoids(III) with classical MD. La(3+) was found to strongly polarize the water molecules located in the first shell, giving rise to dipole moments about 0.5 D larger than those of bulk water molecules. Finally, analyzing Kohn-Sham orbitals, we found La(3+) empty 4f orbitals extremely compact and to a great extent uncoupled from the water conduction band, while the 5d empty orbitals exhibit mixing with unoccupied states of water.

Multisite Evaluation of APEX for Water Quality: I. Best Professional Judgment Parameterization.

PubMed

Baffaut, Claire; Nelson, Nathan O; Lory, John A; Senaviratne, G M M M Anomaa; Bhandari, Ammar B; Udawatta, Ranjith P; Sweeney, Daniel W; Helmers, Matt J; Van Liew, Mike W; Mallarino, Antonio P; Wortmann, Charles S

2017-11-01

The Agricultural Policy Environmental eXtender (APEX) model is capable of estimating edge-of-field water, nutrient, and sediment transport and is used to assess the environmental impacts of management practices. The current practice is to fully calibrate the model for each site simulation, a task that requires resources and data not always available. The objective of this study was to compare model performance for flow, sediment, and phosphorus transport under two parameterization schemes: a best professional judgment (BPJ) parameterization based on readily available data and a fully calibrated parameterization based on site-specific soil, weather, event flow, and water quality data. The analysis was conducted using 12 datasets at four locations representing poorly drained soils and row-crop production under different tillage systems. Model performance was based on the Nash-Sutcliffe efficiency (NSE), the coefficient of determination () and the regression slope between simulated and measured annualized loads across all site years. Although the BPJ model performance for flow was acceptable (NSE = 0.7) at the annual time step, calibration improved it (NSE = 0.9). Acceptable simulation of sediment and total phosphorus transport (NSE = 0.5 and 0.9, respectively) was obtained only after full calibration at each site. Given the unacceptable performance of the BPJ approach, uncalibrated use of APEX for planning or management purposes may be misleading. Model calibration with water quality data prior to using APEX for simulating sediment and total phosphorus loss is essential. Copyright © by the American Society of Agronomy, Crop Science Society of America, and Soil Science Society of America, Inc.

Simulation of groundwater flow and chloride transport in the “1,200-foot” sand with scenarios to mitigate saltwater migration in the “2,000-foot” sand in the Baton Rouge area, Louisiana

USGS Publications Warehouse

Heywood, Charles E.; Lovelace, John K.; Griffith, Jason M.

2015-07-16

Seven hypothetical scenarios predict the effects of different groundwater withdrawal options on groundwater levels and the transport of chloride within the “1,200-foot” sand and the “2,000-foot” sand during 2015–2112. The predicted water levels and concentrations for all scenarios are depicted in maps for the years 2047 and 2112. The first scenario is a base case for comparison to the six other scenarios and simulates continuation of 2012 reported groundwater withdrawals through 2112 (100 years). The second scenario that simulates increased withdrawals from industrial wells in the “1,200-foot” sand predicts that water levels will be 12–25 ft lower by 2047 and that there will be a negligible difference in chloride concentrations within the “1,200-foot” sand. The five other scenarios simulate the effects of various withdrawal schemes on water levels and chloride concentrations within the “2,000-foot” sand. Amongst these five other scenarios, three of the scenarios simulate only various withdrawal reductions, whereas the two others also incorporate withdrawals from a scavenger well that is designed to extract salty water from the base of the “2,000-foot” sand. Two alternative pumping rates (2.5 Mgal/d and 1.25 Mgal/d) are simulated in each of the scavenger-well scenarios. For the “2,000-foot” sand scenarios, comparison of the predicted effects of the scenarios is facilitated by graphs of predicted chloride concentrations through time at selected observation wells, plots of salt mass in the aquifer through time, and a summary of the predicted plume area and average concentration. In all scenarios, water levels essentially equilibrate by 2047, after 30 years of simulated constant withdrawal rates. Although predicted water-level recovery within the “2,000-foot” sand is greatest for the scenario with the greatest reduction in groundwater withdrawal from that aquifer, the scavenger-well scenarios are most effective in mitigating the future extent and concentration of the chloride plume. The simulated scavenger-well withdrawal rate has more influence on the plume area and concentration than do differences among the scenarios in industrial and public-supply withdrawal rates.

[Response of water yield function of ecosystem to land use change in Nansi Lake Basin based on CLUE-S model and InVEST model .

PubMed

Guo, Hong Wei; Sun, Xiao Yin; Lian, Li Shu; Zhang, Da Zhi; Xu, Yan

2016-09-01

Land use change has an important role in hydrological processes and utilization of water resources, and is the main driving force of water yield function of ecosystem. This paper analyzed the change of land use from 1990 to 2013 in Nansi Lake Basin, Shandong Province. The future land use in 2030 was also predicted and simulated by CLUE-S model. Based on land use scenarios, we analyzed the influence of land use change on ecosystem function of water yield in nearly 25 years through InVEST water yield model and spatial mapping. The results showed that the area of construction land increased by 3.5% in 2013 because of burgeoning urbanization process, but farmland area decreased by 2.4% which was conversed to construction land mostly. The simulated result of InVEST model suggested that water yield level of whole basin decreased firstly and increased subsequently during last 25 years and peaked at 232.1 mm in 2013. The construction land area would increase by 6.7% in 2030 based on the land use scenarios of fast urbanization, which would lead to a remarkable growth for water yield and risk of flowing flooding. However, the water yield level of whole basin would decrease by 1.2 % in 2013 if 300 meter-wide forest buffer strips around Nansi Lake were built up.

Optimal Spatial Design of Capacity and Quantity of Rainwater Catchment Systems for Urban Flood Mitigation

NASA Astrophysics Data System (ADS)

Huang, C.; Hsu, N.

2013-12-01

This study imports Low-Impact Development (LID) technology of rainwater catchment systems into a Storm-Water runoff Management Model (SWMM) to design the spatial capacity and quantity of rain barrel for urban flood mitigation. This study proposes a simulation-optimization model for effectively searching the optimal design. In simulation method, we design a series of regular spatial distributions of capacity and quantity of rainwater catchment facilities, and thus the reduced flooding circumstances using a variety of design forms could be simulated by SWMM. Moreover, we further calculate the net benefit that is equal to subtract facility cost from decreasing inundation loss and the best solution of simulation method would be the initial searching solution of the optimization model. In optimizing method, first we apply the outcome of simulation method and Back-Propagation Neural Network (BPNN) for developing a water level simulation model of urban drainage system in order to replace SWMM which the operating is based on a graphical user interface and is hard to combine with optimization model and method. After that we embed the BPNN-based simulation model into the developed optimization model which the objective function is minimizing the negative net benefit. Finally, we establish a tabu search-based algorithm to optimize the planning solution. This study applies the developed method in Zhonghe Dist., Taiwan. Results showed that application of tabu search and BPNN-based simulation model into the optimization model not only can find better solutions than simulation method in 12.75%, but also can resolve the limitations of previous studies. Furthermore, the optimized spatial rain barrel design can reduce 72% of inundation loss according to historical flood events.

An integrated fuzzy-based advanced eutrophication simulation model to develop the best management scenarios for a river basin.

PubMed

Srinivas, Rallapalli; Singh, Ajit Pratap

2018-03-01

Assessment of water quality status of a river with respect to its discharge has become prerequisite to sustainable river basin management. The present paper develops an integrated model for simulating and evaluating strategies for water quality management in a river basin management by controlling point source pollutant loadings and operations of multi-purpose projects. Water Quality Analysis and Simulation Program (WASP version 8.0) has been used for modeling the transport of pollutant loadings and their impact on water quality in the river. The study presents a novel approach of integrating fuzzy set theory with an "advanced eutrophication" model to simulate the transmission and distribution of several interrelated water quality variables and their bio-physiochemical processes in an effective manner in the Ganges river basin, India. After calibration, simulated values are compared with the observed values to validate the model's robustness. Fuzzy technique of order preference by similarity to ideal solution (F-TOPSIS) has been used to incorporate the uncertainty associated with the water quality simulation results. The model also simulates five different scenarios for pollution reduction, to determine the maximum pollutant loadings during monsoon and dry periods. The final results clearly indicate how modeled reduction in the rate of wastewater discharge has reduced impacts of pollutants in the downstream. Scenarios suggesting a river discharge rate of 1500 m 3 /s during the lean period, in addition to 25 and 50% reduction in the load rate, are found to be the most effective option to restore quality of river Ganges. Thus, the model serves as an important hydrologic tool to the policy makers by suggesting appropriate remediation action plans.

Hydrogeology and simulation of groundwater flow and analysis of projected water use for the Canadian River alluvial aquifer, western and central Oklahoma

USGS Publications Warehouse

Ellis, John H.; Mashburn, Shana L.; Graves, Grant M.; Peterson, Steven M.; Smith, S. Jerrod; Fuhrig, Leland T.; Wagner, Derrick L.; Sanford, Jon E.

2017-02-13

This report describes a study of the hydrogeology and simulation of groundwater flow for the Canadian River alluvial aquifer in western and central Oklahoma conducted by the U.S. Geological Survey in cooperation with the Oklahoma Water Resources Board. The report (1) quantifies the groundwater resources of the Canadian River alluvial aquifer by developing a conceptual model, (2) summarizes the general water quality of the Canadian River alluvial aquifer groundwater by using data collected during August and September 2013, (3) evaluates the effects of estimated equal proportionate share (EPS) on aquifer storage and streamflow for time periods of 20, 40, and 50 years into the future by using numerical groundwater-flow models, and (4) evaluates the effects of present-day groundwater pumping over a 50-year period and sustained hypothetical drought conditions over a 10-year period on stream base flow and groundwater in storage by using numerical flow models. The Canadian River alluvial aquifer is a Quaternary-age alluvial and terrace unit consisting of beds of clay, silt, sand, and fine gravel sediments unconformably overlying Tertiary-, Permian-, and Pennsylvanian-age sedimentary rocks. For groundwater-flow modeling purposes, the Canadian River was divided into Reach I, extending from the Texas border to the Canadian River at the Bridgeport, Okla., streamgage (07228500), and Reach II, extending downstream from the Canadian River at the Bridgeport, Okla., streamgage (07228500), to the confluence of the river with Eufaula Lake. The Canadian River alluvial aquifer spans multiple climate divisions, ranging from semiarid in the west to humid subtropical in the east. The average annual precipitation in the study area from 1896 to 2014 was 34.4 inches per year (in/yr).A hydrogeologic framework of the Canadian River alluvial aquifer was developed that includes the areal and vertical extent of the aquifer and the distribution, texture variability, and hydraulic properties of aquifer materials. The aquifer areal extent ranged from less than 0.2 to 8.5 miles wide. The maximum aquifer thickness was 120 feet (ft), and the average aquifer thickness was 50 ft. Average horizontal hydraulic conductivity for the Canadian River alluvial aquifer was calculated to be 39 feet per day, and the maximum horizontal hydraulic conductivity was calculated to be 100 feet per day.Recharge rates to the Canadian River alluvial aquifer were estimated by using a soil-water-balance code to estimate the spatial distribution of groundwater recharge and a water-table fluctuation method to estimate localized recharge rates. By using daily precipitation and temperature data from 39 climate stations, recharge was estimated to average 3.4 in/yr, which corresponds to 8.7 percent of precipitation as recharge for the Canadian River alluvial aquifer from 1981 to 2013. The water-table fluctuation method was used at one site where continuous water-level observation data were available to estimate the percentage of precipitation that becomes groundwater recharge. Estimated annual recharge at that site was 9.7 in/yr during 2014.Groundwater flow in the Canadian River alluvial aquifer was identified and quantified by a conceptual flow model for the period 1981–2013. Inflows to the Canadian River alluvial aquifer include recharge to the water table from precipitation, lateral flow from the surrounding bedrock, and flow from the Canadian River, whereas outflows include flow to the Canadian River (base-flow gain), evapotranspiration, and groundwater use. Total annual recharge inflows estimated by the soil-water-balance code were multiplied by the area of each reach and then averaged over the simulated period to produce an annual average of 28,919 acre-feet per year (acre-ft/yr) for Reach I and 82,006 acre-ft/yr for Reach II. Stream base flow to the Canadian River was estimated to be the largest outflow of groundwater from the aquifer, measured at four streamgages, along with evapotranspiration and groundwater use, which were relatively minor discharge components.Objectives for the numerical groundwater-flow models included simulating groundwater flow in the Canadian River alluvial aquifer from 1981 to 2013 to address groundwater use and drought scenarios, including calculation of the EPS pumping rates. The EPS for the alluvial and terrace aquifers is defined by the Oklahoma Water Resources Board as the amount of fresh water that each landowner is allowed per year per acre of owned land to maintain a saturated thickness of at least 5 ft in at least 50 percent of the overlying land of the groundwater basin for a minimum of 20 years.The groundwater-flow models were calibrated to water-table altitude observations, streamgage base flows, and base-flow gain to the Canadian River. The Reach I water-table altitude observation root-mean-square error was 6.1 ft, and 75 percent of residuals were within ±6.7 ft of observed measurements. The average simulated stream base-flow residual at the Bridgeport streamgage (07228500) was 8.8 cubic feet per second (ft3/s), and 75 percent of residuals were within ±30 ft3/s of observed measurements. Simulated base-flow gain in Reach I was 8.8 ft3/s lower than estimated base-flow gain. The Reach II water-table altitude observation root-mean-square error was 4 ft, and 75 percent of residuals were within ±4.3 ft of the observations. The average simulated stream base-flow residual in Reach II was between 35 and 132 ft3/s. The average simulated base-flow gain residual in Reach II was between 11.3 and 61.1 ft3/s.Several future predictive scenarios were run, including estimating the EPS pumping rate for 20-, 40-, and 50-year life of basin scenarios, determining the effects of current groundwater use over a 50-year period into the future, and evaluating the effects of a sustained drought on water availability for both reaches. The EPS pumping rate was determined to be 1.35 acre-feet per acre per year ([acre-ft/acre]/yr) in Reach I and 3.08 (acre-ft/acre)/yr in Reach II for a 20-year period. For the 40- and 50-year periods, the EPS rate was determined to be 1.34 (acre-ft/acre)/yr in Reach I and 3.08 (acre-ft/acre)/yr in Reach II. Storage changes decreased in tandem with simulated groundwater pumping and were minimal after the first 15 simulated years for Reach I and the first 8 simulated years for Reach II.Groundwater pumping at year 2013 rates for a period of 50 years resulted in a 0.2-percent decrease in groundwater-storage volumes in Reach I and a 0.6-percent decrease in the groundwater-storage volumes in Reach II. The small changes in storage are due to groundwater use by pumping, which composes a small percentage of the total groundwater-flow model budgets for Reaches I and II.A sustained drought scenario was used to evaluate the effects of a hypothetical 10-year drought on water availability. A 10-year period was chosen where the effects of drought conditions would be simulated by decreasing recharge by 75 percent. In Reach I, average simulated stream base flow at the Bridgeport streamgage (07228500) decreased by 58 percent during the hypothetical 10-year drought compared to average simulated stream base flow during the nondrought period. In Reach II, average simulated stream base flows at the Purcell streamgage (07229200) and Calvin streamgage (07231500) decreased by 64 percent and 54 percent, respectively. In Reach I, the groundwater-storage drought scenario resulted in a storage decline of 30 thousand acre-feet, or an average decline in the water table of 1.2 ft. In Reach II, the groundwater-storage drought scenario resulted in a storage decline of 71 thousand acre-feet, or an average decline in the water table of 2.0 ft.

Development of a group contribution method for estimating free energy of peptides in a dodecane-water system via molecular dynamic simulations.

PubMed

Mora Osorio, Camilo Andrés; González Barrios, Andrés Fernando

2016-12-07

Calculation of the Gibbs free energy changes of biological molecules at the oil-water interface is commonly performed with Molecular Dynamics simulations (MD). It is a process that could be performed repeatedly in order to find some molecules of high stability in this medium. Here, an alternative method of calculation has been proposed: a group contribution method (GCM) for peptides based on MD of the twenty classic amino acids to obtain free energy change during the insertion of any peptide chain in water-dodecane interfaces. Multiple MD of the twenty classic amino acids located at the interface of rectangular simulation boxes with a dodecane-water medium were performed. A GCM to calculate the free energy of entire peptides is then proposed. The method uses the summation of the Gibbs free energy of each amino acid adjusted in function of its presence or absence in the chain as well as its hydrophobic characteristics. Validation of the equation was performed with twenty-one peptides all simulated using MD in dodecane-water rectangular boxes in previous work, obtaining an average relative error of 16%.

Analysis of Terrestrial Water Storage Changes from GRACE and GLDAS

NASA Technical Reports Server (NTRS)

Syed, Tajdarul H.; Famiglietti, James S.; Rodell, Matthew; Chen, Jianli; Wilson, Clark R.

2008-01-01

Since March 2002, the Gravity Recovery and Climate Experiment (GRACE) has provided first estimates of land water storage variations by monitoring the time-variable component of Earth's gravity field. Here we characterize spatial-temporal variations in terrestrial water storage changes (TWSC) from GRACE and compare them to those simulated with the Global Land Data Assimilation System (GLDAS). Additionally, we use GLDAS simulations to infer how TWSC is partitioned into snow, canopy water and soil water components, and to understand how variations in the hydrologic fluxes act to enhance or dissipate the stores. Results quantify the range of GRACE-derived storage changes during the studied period and place them in the context of seasonal variations in global climate and hydrologic extremes including drought and flood, by impacting land memory processes. The role of the largest continental river basins as major locations for freshwater redistribution is highlighted. GRACE-based storage changes are in good agreement with those obtained from GLDAS simulations. Analysis of GLDAS-simulated TWSC illustrates several key characteristics of spatial and temporal land water storage variations. Global averages of TWSC were partitioned nearly equally between soil moisture and snow water equivalent, while zonal averages of TWSC revealed the importance of soil moisture storage at low latitudes and snow storage at high latitudes. Evapotranspiration plays a key role in dissipating globally averaged terrestrial water storage. Latitudinal averages showed how precipitation dominates TWSC variations in the tropics, evapotranspiration is most effective in the midlatitudes, and snowmelt runoff is a key dissipating flux at high latitudes. Results have implications for monitoring water storage response to climate variability and change, and for constraining land model hydrology simulations.

Water adsorption isotherms on porous onionlike carbonaceous particles. Simulations with the grand canonical Monte Carlo method

NASA Astrophysics Data System (ADS)

Hantal, György; Picaud, Sylvain; Hoang, Paul N. M.; Voloshin, Vladimir P.; Medvedev, Nikolai N.; Jedlovszky, Pál

2010-10-01

The grand canonical Monte Carlo method is used to simulate the adsorption isotherms of water molecules on different types of model soot particles. These soot models are constructed by first removing atoms from onion-fullerene structures in order to create randomly distributed pores inside the soot, and then performing molecular dynamics simulations, based on the reactive adaptive intermolecular reactive empirical bond order (AIREBO) description of the interaction between carbon atoms, to optimize the resulting structures. The obtained results clearly show that the main driving force of water adsorption on soot is the possibility of the formation of new water-water hydrogen bonds with the already adsorbed water molecules. The shape of the calculated water adsorption isotherms at 298 K strongly depends on the possible confinement of the water molecules in pores of the carbonaceous structure. We found that there are two important factors influencing the adsorption ability of soot. The first of these factors, dominating at low pressures, is the ability of the soot of accommodating the first adsorbed water molecules at strongly hydrophilic sites. The second factor concerns the size and shape of the pores, which should be such that the hydrogen bonding network of the water molecules filling them should be optimal. This second factor determines the adsorption properties at higher pressures.

Investigation of Water Dynamics and the Effect of Evapotranspiration on Grain Yield of Rainfed Wheat and Barley under a Mediterranean Environment: A Modelling Approach

PubMed Central

Zhang, Kefeng; Bosch-Serra, Angela D.; Boixadera, Jaume; Thompson, Andrew J.

2015-01-01

Agro-hydrological models have increasingly become useful and powerful tools in optimizing water and fertilizer application, and in studying the environmental consequences. Accurate prediction of water dynamics in such models is essential for models to produce reasonable results. In this study, detailed simulations were performed for water dynamics of rainfed winter wheat and barley grown under a Mediterranean climate over a 10-year period. The model employed (Yang et al., 2009. J. Hydrol., 370, 177-190) uses easily available agronomic data, and takes into consideration of all key soil and plant processes in controlling water dynamics in the soil-crop system, including the dynamics of root growth. The water requirement for crop growth was calculated according to the FAO56, and the soil hydraulic properties were estimated using peto-transfer functions (PTFs) based on soil physical properties and soil organic matter content. Results show that the simulated values of soil water content at the depths of 15, 45 and 75 cm agreed with the measurements well with the root of the mean squared errors of 0.027 cm3 cm-3 and the model agreement index of 0.875. The simulated seasonal evapotranspiration (ET) ranged from 208 to 388 mm, and grain yield was found to correlate with the simulated seasonal ET in a linear manner within the studied ET range. The simulated rates of grain yield increase were 17.3 and 23.7 kg ha-l for every mm of water evapotranspired for wheat and barley, respectively. The good agreement of soil water content between measurement and simulation and the simulated relationships between grain yield and seasonal ET supported by the data in the literature indicates that the model performed well in modelling water dynamics for the studied soil-crop system, and therefore has the potential to be applied reliably and widely in precision agriculture. Finally, a two-staged approach using inverse modelling techniques to further improve model performance was discussed. PMID:26098946

Investigation of Water Dynamics and the Effect of Evapotranspiration on Grain Yield of Rainfed Wheat and Barley under a Mediterranean Environment: A Modelling Approach.

PubMed

Zhang, Kefeng; Bosch-Serra, Angela D; Boixadera, Jaume; Thompson, Andrew J

2015-01-01

Agro-hydrological models have increasingly become useful and powerful tools in optimizing water and fertilizer application, and in studying the environmental consequences. Accurate prediction of water dynamics in such models is essential for models to produce reasonable results. In this study, detailed simulations were performed for water dynamics of rainfed winter wheat and barley grown under a Mediterranean climate over a 10-year period. The model employed (Yang et al., 2009. J. Hydrol., 370, 177-190) uses easily available agronomic data, and takes into consideration of all key soil and plant processes in controlling water dynamics in the soil-crop system, including the dynamics of root growth. The water requirement for crop growth was calculated according to the FAO56, and the soil hydraulic properties were estimated using peto-transfer functions (PTFs) based on soil physical properties and soil organic matter content. Results show that the simulated values of soil water content at the depths of 15, 45 and 75 cm agreed with the measurements well with the root of the mean squared errors of 0.027 cm(3) cm(-3) and the model agreement index of 0.875. The simulated seasonal evapotranspiration (ET) ranged from 208 to 388 mm, and grain yield was found to correlate with the simulated seasonal ET in a linear manner within the studied ET range. The simulated rates of grain yield increase were 17.3 and 23.7 kg ha(-l) for every mm of water evapotranspired for wheat and barley, respectively. The good agreement of soil water content between measurement and simulation and the simulated relationships between grain yield and seasonal ET supported by the data in the literature indicates that the model performed well in modelling water dynamics for the studied soil-crop system, and therefore has the potential to be applied reliably and widely in precision agriculture. Finally, a two-staged approach using inverse modelling techniques to further improve model performance was discussed.

Documentation of Computer Program INFIL3.0 - A Distributed-Parameter Watershed Model to Estimate Net Infiltration Below the Root Zone

USGS Publications Warehouse

,

2008-01-01

This report documents the computer program INFIL3.0, which is a grid-based, distributed-parameter, deterministic water-balance watershed model that calculates the temporal and spatial distribution of daily net infiltration of water across the lower boundary of the root zone. The bottom of the root zone is the estimated maximum depth below ground surface affected by evapotranspiration. In many field applications, net infiltration below the bottom of the root zone can be assumed to equal net recharge to an underlying water-table aquifer. The daily water balance simulated by INFIL3.0 includes precipitation as either rain or snow; snowfall accumulation, sublimation, and snowmelt; infiltration into the root zone; evapotranspiration from the root zone; drainage and water-content redistribution within the root-zone profile; surface-water runoff from, and run-on to, adjacent grid cells; and net infiltration across the bottom of the root zone. The water-balance model uses daily climate records of precipitation and air temperature and a spatially distributed representation of drainage-basin characteristics defined by topography, geology, soils, and vegetation to simulate daily net infiltration at all locations, including stream channels with intermittent streamflow in response to runoff from rain and snowmelt. The model does not simulate streamflow originating as ground-water discharge. Drainage-basin characteristics are represented in the model by a set of spatially distributed input variables uniquely assigned to each grid cell of a model grid. The report provides a description of the conceptual model of net infiltration on which the INFIL3.0 computer code is based and a detailed discussion of the methods by which INFIL3.0 simulates the net-infiltration process. The report also includes instructions for preparing input files necessary for an INFIL3.0 simulation, a description of the output files that are created as part of an INFIL3.0 simulation, and a sample problem that illustrates application of the code to a field setting. Brief descriptions of the main program routine and of each of the modules and subroutines of the INFIL3.0 code, as well as definitions of the variables used in each subroutine, are provided in an appendix.

Evaluating the spatial distribution of water balance in a small watershed, Pennsylvania

NASA Astrophysics Data System (ADS)

Yu, Zhongbo; Gburek, W. J.; Schwartz, F. W.

2000-04-01

A conceptual water-balance model was modified from a point application to be distributed for evaluating the spatial distribution of watershed water balance based on daily precipitation, temperature and other hydrological parameters. The model was calibrated by comparing simulated daily variation in soil moisture with field observed data and results of another model that simulates the vertical soil moisture flow by numerically solving Richards' equation. The impacts of soil and land use on the hydrological components of the water balance, such as evapotranspiration, soil moisture deficit, runoff and subsurface drainage, were evaluated with the calibrated model in this study. Given the same meteorological conditions and land use, the soil moisture deficit, evapotranspiration and surface runoff increase, and subsurface drainage decreases, as the available water capacity of soil increases. Among various land uses, alfalfa produced high soil moisture deficit and evapotranspiration and lower surface runoff and subsurface drainage, whereas soybeans produced an opposite trend. The simulated distribution of various hydrological components shows the combined effect of soil and land use. Simulated hydrological components compare well with observed data. The study demonstrated that the distributed water balance approach is efficient and has advantages over the use of single average value of hydrological variables and the application at a single point in the traditional practice.

Autocalibration of a one-dimensional hydrodynamic-ecological model (DYRESM 4.0-CAEDYM 3.1) using a Monte Carlo approach: simulations of hypoxic events in a polymictic lake

NASA Astrophysics Data System (ADS)

Luo, Liancong; Hamilton, David; Lan, Jia; McBride, Chris; Trolle, Dennis

2018-03-01

Automated calibration of complex deterministic water quality models with a large number of biogeochemical parameters can reduce time-consuming iterative simulations involving empirical judgements of model fit. We undertook autocalibration of the one-dimensional hydrodynamic-ecological lake model DYRESM-CAEDYM, using a Monte Carlo sampling (MCS) method, in order to test the applicability of this procedure for shallow, polymictic Lake Rotorua (New Zealand). The calibration procedure involved independently minimizing the root-mean-square error (RMSE), maximizing the Pearson correlation coefficient (r) and Nash-Sutcliffe efficient coefficient (Nr) for comparisons of model state variables against measured data. An assigned number of parameter permutations was used for 10 000 simulation iterations. The "optimal" temperature calibration produced a RMSE of 0.54 °C, Nr value of 0.99, and r value of 0.98 through the whole water column based on comparisons with 540 observed water temperatures collected between 13 July 2007 and 13 January 2009. The modeled bottom dissolved oxygen concentration (20.5 m below surface) was compared with 467 available observations. The calculated RMSE of the simulations compared with the measurements was 1.78 mg L-1, the Nr value was 0.75, and the r value was 0.87. The autocalibrated model was further tested for an independent data set by simulating bottom-water hypoxia events from 15 January 2009 to 8 June 2011 (875 days). This verification produced an accurate simulation of five hypoxic events corresponding to DO < 2 mg L-1 during summer of 2009-2011. The RMSE was 2.07 mg L-1, Nr value 0.62, and r value of 0.81, based on the available data set of 738 days. The autocalibration software of DYRESM-CAEDYM developed here is substantially less time-consuming and more efficient in parameter optimization than traditional manual calibration which has been the standard tool practiced for similar complex water quality models.

Auto-calibration of a one-dimensional hydrodynamic-ecological model using a Monte Carlo approach: simulation of hypoxic events in a polymictic lake

NASA Astrophysics Data System (ADS)

Luo, L.

2011-12-01

Automated calibration of complex deterministic water quality models with a large number of biogeochemical parameters can reduce time-consuming iterative simulations involving empirical judgements of model fit. We undertook auto-calibration of the one-dimensional hydrodynamic-ecological lake model DYRESM-CAEDYM, using a Monte Carlo sampling (MCS) method, in order to test the applicability of this procedure for shallow, polymictic Lake Rotorua (New Zealand). The calibration procedure involved independently minimising the root-mean-square-error (RMSE), maximizing the Pearson correlation coefficient (r) and Nash-Sutcliffe efficient coefficient (Nr) for comparisons of model state variables against measured data. An assigned number of parameter permutations was used for 10,000 simulation iterations. The 'optimal' temperature calibration produced a RMSE of 0.54 °C, Nr-value of 0.99 and r-value of 0.98 through the whole water column based on comparisons with 540 observed water temperatures collected between 13 July 2007 - 13 January 2009. The modeled bottom dissolved oxygen concentration (20.5 m below surface) was compared with 467 available observations. The calculated RMSE of the simulations compared with the measurements was 1.78 mg L-1, the Nr-value was 0.75 and the r-value was 0.87. The autocalibrated model was further tested for an independent data set by simulating bottom-water hypoxia events for the period 15 January 2009 to 8 June 2011 (875 days). This verification produced an accurate simulation of five hypoxic events corresponding to DO < 2 mg L-1 during summer of 2009-2011. The RMSE was 2.07 mg L-1, Nr-value 0.62 and r-value of 0.81, based on the available data set of 738 days. The auto-calibration software of DYRESM-CAEDYM developed here is substantially less time-consuming and more efficient in parameter optimisation than traditional manual calibration which has been the standard tool practiced for similar complex water quality models.

Dissipative particle dynamics simulations of polymersomes.

PubMed

Ortiz, Vanessa; Nielsen, Steven O; Discher, Dennis E; Klein, Michael L; Lipowsky, Reinhard; Shillcock, Julian

2005-09-22

A DPD model of PEO-based block copolymer vesicles in water is developed by introducing a new density based coarse graining and by using experimental data for interfacial tension. Simulated as a membrane patch, the DPD model is in excellent agreement with experimental data for both the area expansion modulus and the scaling of hydrophobic core thickness with molecular weight. Rupture simulations of polymer vesicles, or "polymersomes", are presented to illustrate the system sizes feasible with DPD. The results should provide guidance for theoretical derivations of scaling laws and also illustrate how spherical polymer vesicles might be studied in simulation.

WASP TRANSPORT MODELING AND WASP ECOLOGICAL MODELING

EPA Science Inventory

A combination of lectures, demonstrations, and hands-on excercises will be used to introduce pollutant transport modeling with the U.S. EPA's general water quality model, WASP (Water Quality Analysis Simulation Program). WASP features include a user-friendly Windows-based interfa...

Evaluation of Water Quality Change of Brackish Lake in Snowy Cold Regions Accompanying Climate Change

NASA Astrophysics Data System (ADS)

Kudo, K.; Hasegawa, H.; Nakatsugawa, M.

2017-12-01

This study addresses evaluation of water quality change of brackish lake based on the estimation of hydrological quantities resulting from long-term hydrologic process accompanying climate change. For brackish lakes, such as Lake Abashiri in Eastern Hokkaido, there are concerns about water quality deterioration due to increases in water temperature and salinity. For estimating some hydrological quantities in the Abashiri River basin, including Lake Abashiri, we propose the following methods: 1) MRI-NHRCM20, a regional climate model based on the Representative Concentration Pathways adopted by IPCC AR5, 2) generalized extreme value distribution for correcting bias, 3) kriging adopted variogram for downscaling and 4) Long term Hydrologic Assessment model considering Snow process (LoHAS). In addition, we calculate the discharge from Abashiri River into Lake Abashiri by using estimated hydrological quantities and a tank model, and simulate impacts on water quality of Lake Abashiri due to climate change by setting necessary conditions, including the initial conditions of water temperature and water quality, the pollution load from the inflow rivers, the duration of ice cover and salt pale boundary. The result of the simulation of water quality indicates that climate change is expected to raise the water temperature of the lake surface by approximately 4°C and increase salinity of surface of the lake by approximately 4psu, also if salt pale boundary in the lake raises by approximately 2-m, the concentration of COD, T-N and T-P in the bottom of the lake might increase. The processes leading to these results are likely to be as follows: increased river water flows in along salt pale boundary in lake, causing dynamic flow of surface water; saline bottom water is entrained upward, where it mixes with surface water; and the shear force acting at salt pale boundary helps to increase the supply of salts from bottom saline water to the surface water. In the future, we will conduct similar simulations for a larger area that includes the mouth of Abashiri River. The accuracy of flow field simulation for Lake Abashiri will increase when calculations incorporate the effects of climate change on tide level, water temperature and salinity at the river mouth.

Effect of Surface Oxidation on Interfacial Water Structure at a Pyrite (100) Surface as Studied by Molecular Dynamics Simulation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jin, Jiaqi; Miller, Jan D.; Dang, Liem X.

2015-06-01

In the first part of this paper, a Scanning Electron Microscopy and contact angle study of a pyrite surface (100) is reported describing the relationship between surface oxidation and the hydrophilic surface state. In addition to these experimental results, the following simulated surface states were examined using Molecular Dynamics Simulation (MDS): fresh unoxidized (100) surface; polysulfide at the (100) surface; elemental sulfur at the (100) surface. Crystal structures for the polysulfide and elemental sulfur at the (100) surface were simulated using Density Functional Theory (DFT) quantum chemical calculations. The well known oxidation mechanism which involves formation of a metal deficientmore » layer was also described with DFT. Our MDS results of the behavior of interfacial water at the fresh and oxidized pyrite (100) surfaces without/with the presence of ferric hydroxide include simulated contact angles, number density distribution for water, water dipole orientation, water residence time, and hydrogen-bonding considerations. The significance of the formation of ferric hydroxide islands in accounting for the corresponding hydrophilic surface state is revealed not only from experimental contact angle measurements but also from simulated contact angle measurements using MDS. The hydrophilic surface state developed at oxidized pyrite surfaces has been described by MDS, on which basis the surface state is explained based on interfacial water structure. The Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences (BES), of the DOE funded work performed by Liem X. Dang. Battelle operates the Pacific Northwest National Laboratory for DOE. The calculations were carried out using computer resources provided by BES.« less

Simulating the fate of water in field soil crop environment

NASA Astrophysics Data System (ADS)

Cameira, M. R.; Fernando, R. M.; Ahuja, L.; Pereira, L.

2005-12-01

This paper presents an evaluation of the Root Zone Water Quality Model(RZWQM) for assessing the fate of water in the soil-crop environment at the field scale under the particular conditions of a Mediterranean region. The RZWQM model is a one-dimensional dual porosity model that allows flow in macropores. It integrates the physical, biological and chemical processes occurring in the root zone, allowing the simulation of a wide spectrum of agricultural management practices. This study involved the evaluation of the soil, hydrologic and crop development sub-models within the RZWQM for two distinct agricultural systems, one consisting of a grain corn planted in a silty loam soil, irrigated by level basins and the other a forage corn planted in a sandy soil, irrigated by sprinklers. Evaluation was performed at two distinct levels. At the first level the model capability to fit the measured data was analyzed (calibration). At the second level the model's capability to extrapolate and predict the system behavior for conditions different than those used when fitting the model was assessed (validation). In a subsequent paper the same type of evaluation is presented for the nitrogen transformation and transport model. At the first level a change in the crop evapotranspiration (ETc) formulation was introduced, based upon the definition of the effective leaf area, resulting in a 51% decrease in the root mean square error of the ETc simulations. As a result the simulation of the root water uptake was greatly improved. A new bottom boundary condition was implemented to account for the presence of a shallow water table. This improved the simulation of the water table depths and consequently the soil water evolution within the root zone. The soil hydraulic parameters and the crop variety specific parameters were calibrated in order to minimize the simulation errors of soil water and crop development. At the second level crop yield was predicted with an error of 1.1 and 2.8% for grain and forage corn, respectively. Soil water was predicted with an efficiency ranging from 50 to 95% for the silty loam soil and between 56 and 72% for the sandy soil. The purposed calibration procedure allowed the model to predict crop development, yield and the water balance terms, with accuracy that is acceptable in practical applications for complex and spatially variable field conditions. An iterative method was required to account for the strong interaction between the different model components, based upon detailed experimental data on soils and crops.

A flexible hydrological warning system in Denmark for real-time surface water and groundwater simulations

NASA Astrophysics Data System (ADS)

He, Xin; Stisen, Simon; Wiese, Marianne B.; Jørgen Henriksen, Hans

2015-04-01

In Denmark, increasing focus on extreme weather events has created considerable demand for short term forecasts and early warnings in relation to groundwater and surface water flooding. The Geological Survey of Denmark and Greenland (GEUS) has setup, calibrated and applied a nationwide water resources model, the DK-Model, primarily for simulating groundwater and surface water flows and groundwater levels during the past 20 years. So far, the DK-model has only been used in offline historical and future scenario simulations. Therefore, challenges arise in operating such a model for online forecasts and early warnings, which requires access to continuously updated observed climate input data and forecast data of precipitation, temperature and global radiation for the next 48 hours or longer. GEUS has a close collaboration with the Danish Meteorological Institute in order to test and enable this data input for the DK model. Due to the comprehensive physical descriptions of the DK-Model, the simulation results can potentially be any component of the hydrological cycle within the models domain. Therefore, it is important to identify which results need to be updated and saved in the real-time mode, since it is not computationally economical to save every result considering the heavy load of data. GEUS have worked closely with the end-users and interest groups such as water planners and emergency managers from the municipalities, water supply and waste water companies, consulting companies and farmer organizations, in order to understand their possible needs for real time simulation and monitoring of the nationwide water cycle. This participatory process has been supported by a web based questionnaire survey, and a workshop that connected the model developers and the users. For qualifying the stakeholder engagement, GEUS has selected a representative catchment area (Skjern River) for testing and demonstrating a prototype of the web based hydrological warning system at the workshop, and illustrated simulated groundwater levels, streamflow and water content in the root zone. The webpages can be tailor-made to meet the requirements of the end-users and also enable flexibility to extend while the users' demand changes. The active involvement of stakeholders in the workshop provided very valuable insights and feedbacks for GEUS, relevant for the future development of the nationwide real-time modeling and water cycle monitoring system for Denmark, including possible linking to early warning and real-time forecasting systems operating at the local scale.

Case study of a full-scale evapotranspiration cover

USGS Publications Warehouse

McGuire, Patrick E.; Andraski, Brian J.; Archibald, Ryan E.

2009-01-01

The design, construction, and performance analyses of a 6.1ha evapotranspiration (ET) landfill cover at the semiarid U.S. Army Fort Carson site, near Colorado Springs, Colo. are presented. Initial water-balance model simulations, using literature reported soil hydraulic data, aided selection of borrow-source soil type(s) that resulted in predictions of negligible annual drainage (⩽1mm∕year). Final construction design was based on refined water-balance simulations using laboratory determined soil hydraulic values from borrow area natural soil horizons that were described with USDA soil classification methods. Cover design components included a 122cmthick clay loam (USDA), compaction ⩽80% of the standard Proctor maximum dry density (dry bulk density ∼1.3Mg∕m3), erosion control measures, top soil amended with biosolids, and seeding with native grasses. Favorable hydrologic performance for a 5year period was documented by lysimeter-measured and Richards’-based calculations of annual drainage that were all <0.4mm∕year. Water potential data suggest that ET removed water that infiltrated the cover and contributed to a persistent driving force for upward flow and removal of water from below the base of the cover.

Modifying a dynamic global vegetation model for simulating large spatial scale land surface water balances

NASA Astrophysics Data System (ADS)

Tang, G.; Bartlein, P. J.

2012-08-01

Satellite-based data, such as vegetation type and fractional vegetation cover, are widely used in hydrologic models to prescribe the vegetation state in a study region. Dynamic global vegetation models (DGVM) simulate land surface hydrology. Incorporation of satellite-based data into a DGVM may enhance a model's ability to simulate land surface hydrology by reducing the task of model parameterization and providing distributed information on land characteristics. The objectives of this study are to (i) modify a DGVM for simulating land surface water balances; (ii) evaluate the modified model in simulating actual evapotranspiration (ET), soil moisture, and surface runoff at regional or watershed scales; and (iii) gain insight into the ability of both the original and modified model to simulate large spatial scale land surface hydrology. To achieve these objectives, we introduce the "LPJ-hydrology" (LH) model which incorporates satellite-based data into the Lund-Potsdam-Jena (LPJ) DGVM. To evaluate the model we ran LH using historical (1981-2006) climate data and satellite-based land covers at 2.5 arc-min grid cells for the conterminous US and for the entire world using coarser climate and land cover data. We evaluated the simulated ET, soil moisture, and surface runoff using a set of observed or simulated data at different spatial scales. Our results demonstrate that spatial patterns of LH-simulated annual ET and surface runoff are in accordance with previously published data for the US; LH-modeled monthly stream flow for 12 major rivers in the US was consistent with observed values respectively during the years 1981-2006 (R2 > 0.46, p < 0.01; Nash-Sutcliffe Coefficient > 0.52). The modeled mean annual discharges for 10 major rivers worldwide also agreed well (differences < 15%) with observed values for these rivers. Compared to a degree-day method for snowmelt computation, the addition of the solar radiation effect on snowmelt enabled LH to better simulate monthly stream flow in winter and early spring for rivers located at mid-to-high latitudes. In addition, LH-modeled monthly soil moisture for the state of Illinois (US) agreed well (R2 = 0.79, p < 0.01) with observed data for the years 1984-2001. Overall, this study justifies both the feasibility of incorporating satellite-based land covers into a DGVM and the reliability of LH to simulate land-surface water balances. To better estimate surface/river runoff at mid-to-high latitudes, we recommended that LPJ-DGVM considers the effects of solar radiation on snowmelt.

Evaluation of a distributed catchment scale water balance model

NASA Technical Reports Server (NTRS)

Troch, Peter A.; Mancini, Marco; Paniconi, Claudio; Wood, Eric F.

1993-01-01

The validity of some of the simplifying assumptions in a conceptual water balance model is investigated by comparing simulation results from the conceptual model with simulation results from a three-dimensional physically based numerical model and with field observations. We examine, in particular, assumptions and simplifications related to water table dynamics, vertical soil moisture and pressure head distributions, and subsurface flow contributions to stream discharge. The conceptual model relies on a topographic index to predict saturation excess runoff and on Philip's infiltration equation to predict infiltration excess runoff. The numerical model solves the three-dimensional Richards equation describing flow in variably saturated porous media, and handles seepage face boundaries, infiltration excess and saturation excess runoff production, and soil driven and atmosphere driven surface fluxes. The study catchments (a 7.2 sq km catchment and a 0.64 sq km subcatchment) are located in the North Appalachian ridge and valley region of eastern Pennsylvania. Hydrologic data collected during the MACHYDRO 90 field experiment are used to calibrate the models and to evaluate simulation results. It is found that water table dynamics as predicted by the conceptual model are close to the observations in a shallow water well and therefore, that a linear relationship between a topographic index and the local water table depth is found to be a reasonable assumption for catchment scale modeling. However, the hydraulic equilibrium assumption is not valid for the upper 100 cm layer of the unsaturated zone and a conceptual model that incorporates a root zone is suggested. Furthermore, theoretical subsurface flow characteristics from the conceptual model are found to be different from field observations, numerical simulation results, and theoretical baseflow recession characteristics based on Boussinesq's groundwater equation.

MODFLOW-OWHM v2: The next generation of fully integrated hydrologic simulation software

NASA Astrophysics Data System (ADS)

Boyce, S. E.; Hanson, R. T.; Ferguson, I. M.; Reimann, T.; Henson, W.; Mehl, S.; Leake, S.; Maddock, T.

2016-12-01

The One-Water Hydrologic Flow Model (One-Water) is a MODFLOW-based integrated hydrologic flow model designed for the analysis of a broad range of conjunctive-use and climate-related issues. One-Water fully links the movement and use of groundwater, surface water, and imported water for consumption by agriculture and natural vegetation on the landscape, and for potable and other uses within a supply-and-demand framework. One-Water includes linkages for deformation-, flow-, and head-dependent flows; additional observation and parameter options for higher-order calibrations; and redesigned code for facilitation of self-updating models and faster simulation run times. The next version of One-Water, currently under development, will include a new surface-water operations module that simulates dynamic reservoir operations, a new sustainability analysis package that facilitates the estimation and simulation of reduced storage depletion and captured discharge, a conduit-flow process for karst aquifers and leaky pipe networks, a soil zone process that adds an enhanced infiltration process, interflow, deep percolation and soil moisture, and a new subsidence and aquifer compaction package. It will also include enhancements to local grid refinement, and additional features to facilitate easier model updates, faster execution, better error messages, and more integration/cross communication between the traditional MODFLOW packages. By retaining and tracking the water within the hydrosphere, One-Water accounts for "all of the water everywhere and all of the time." This philosophy provides more confidence in the water accounting by the scientific community and provides the public a foundation needed to address wider classes of problems. Ultimately, more complex questions are being asked about water resources, so they require a more complete answer about conjunctive-use and climate-related issues.

A Fourier-based total-field/scattered-field technique for three-dimensional broadband simulations of elastic targets near a water-sand interface.

PubMed

Shao, Yu; Wang, Shumin

2016-12-01

The numerical simulation of acoustic scattering from elastic objects near a water-sand interface is critical to underwater target identification. Frequency-domain methods are computationally expensive, especially for large-scale broadband problems. A numerical technique is proposed to enable the efficient use of finite-difference time-domain method for broadband simulations. By incorporating a total-field/scattered-field boundary, the simulation domain is restricted inside a tightly bounded region. The incident field is further synthesized by the Fourier transform for both subcritical and supercritical incidences. Finally, the scattered far field is computed using a half-space Green's function. Numerical examples are further provided to demonstrate the accuracy and efficiency of the proposed technique.

Evaluation of limited irrigation strategies to improve water use efficiency and wheat yield in the North China Plain.

PubMed

Zhang, Di; Li, Ruiqi; Batchelor, William D; Ju, Hui; Li, Yanming

2018-01-01

The North China Plain is one of the most important grain production regions in China, but is facing serious water shortages. To achieve a balance between water use and the need for food self-sufficiency, new water efficient irrigation strategies need to be developed that balance water use with farmer net return. The Crop Environment Resource Synthesis Wheat (CERES-Wheat model) was calibrated and evaluated with two years of data which consisted of 3-4 irrigation treatments, and the model was used to investigate long-term winter wheat productivity and water use from irrigation management in the North China Plain. The calibrated model simulated accurately above-ground biomass, grain yield and evapotranspiration of winter wheat in response to irrigation management. The calibrated model was then run using weather data from 1994-2016 in order to evaluate different irrigation strategies. The simulated results using historical weather data showed that grain yield and water use was sensitive to different irrigation strategies including amounts and dates of irrigation applications. The model simulated the highest yield when irrigation was applied at jointing (T9) in normal and dry rainfall years, and gave the highest simulated yields for irrigation at double ridge (T8) in wet years. A single simulated irrigation at jointing (T9) produced yields that were 88% compared to using a double irrigation treatment at T1 and T9 in wet years, 86% of that in normal years, and 91% of that in dry years. A single irrigation at jointing or double ridge produced higher water use efficiency because it obtained higher evapotranspiration. The simulated farmer irrigation practices produced the highest yield and net income. When the cost of water was taken into account, limited irrigation was found to be more profitable based on assumptions about future water costs. In order to increase farmer income, a subsidy will likely be needed to compensate farmers for yield reductions due to water savings. These results showed that there is a cost to the farmer for water conservation, but limiting irrigation to a single irrigation at jointing would minimize impact on farmer net return in North China Plain.

A coupled approach for the three-dimensional simulation of pipe leakage in variably saturated soil

NASA Astrophysics Data System (ADS)

Peche, Aaron; Graf, Thomas; Fuchs, Lothar; Neuweiler, Insa

2017-12-01

In urban water pipe networks, pipe leakage may lead to subsurface contamination or to reduced waste water treatment efficiency. The quantification of pipe leakage is challenging due to inaccessibility and unknown hydraulic properties of the soil. A novel physically-based model for three-dimensional numerical simulation of pipe leakage in variably saturated soil is presented. We describe the newly implemented coupling between the pipe flow simulator HYSTEM-EXTRAN and the groundwater flow simulator OpenGeoSys and its validation. We further describe a novel upscaling of leakage using transfer functions derived from numerical simulations. This upscaling enables the simulation of numerous pipe defects with the benefit of reduced computation times. Finally, we investigate the response of leakage to different time-dependent pipe flow events and conclude that larger pipe flow volume and duration lead to larger leakage while the peak position in time has a small effect on leakage.

Realistic natural atmospheric phenomena and weather effects for interactive virtual environments

NASA Astrophysics Data System (ADS)

McLoughlin, Leigh

Clouds and the weather are important aspects of any natural outdoor scene, but existing dynamic techniques within computer graphics only offer the simplest of cloud representations. The problem that this work looks to address is how to provide a means of simulating clouds and weather features such as precipitation, that are suitable for virtual environments. Techniques for cloud simulation are available within the area of meteorology, but numerical weather prediction systems are computationally expensive, give more numerical accuracy than we require for graphics and are restricted to the laws of physics. Within computer graphics, we often need to direct and adjust physical features or to bend reality to meet artistic goals, which is a key difference between the subjects of computer graphics and physical science. Pure physically-based simulations, however, evolve their solutions according to pre-set rules and are notoriously difficult to control. The challenge then is for the solution to be computationally lightweight and able to be directed in some measure while at the same time producing believable results. This work presents a lightweight physically-based cloud simulation scheme that simulates the dynamic properties of cloud formation and weather effects. The system simulates water vapour, cloud water, cloud ice, rain, snow and hail. The water model incorporates control parameters and the cloud model uses an arbitrary vertical temperature profile, with a tool described to allow the user to define this. The result of this work is that clouds can now be simulated in near real-time complete with precipitation. The temperature profile and tool then provide a means of directing the resulting formation..

Effects of hydrologic, biological, and environmental processes on sources and concentrations of fecal bacteria in the Cuyahoga River, with implications for management of recreational waters in Summit and Cuyahoga Counties, Ohio

USGS Publications Warehouse

Myers, Donna N.; Koltun, G.F.; Francy, Donna S.

1998-01-01

Discharges of fecal bacteria (fecal coliform bacteria and Escherichia coli ) to the middle main stem of the Cuyahoga River from storm water, combined sewers, and incompletely disinfected wastewater have resulted in frequent exceedances of bacteriological water-quality standards in a 23-mile reach of the river that flows through the Cuyahoga Valley National Recreation Area. Contamination of the middle main stem of the Cuyahoga River by bacteria of fecal origin and subsequent transport to downstream areas where water-contact recreation is an important use of the river are a concern because of the potential public-health risk from the presence of enteric pathogens. Independent field investigations of bacterial decay, dilution, dispersion, transport, and sources, and bacterial contamination of streambed sediments, were completed in 1991-93 during periods of rainfall and runoff. The highest concentration of fecal coliform bacteria observed in the middle main stem during three transport studies exceeded the single-sample fecal coliform standard applicable to primary-contact recreation by a factor of approximately 1,300 and exceeded the Escherichia coli standard by a factor of approximately 8,000. The geometric-mean concentrations of fecal bacteria in the middle main stem were 6.7 to 12.3 times higher than geometric-mean concentrations in the monitored tributaries, and 1.8 to 7.0 times larger than the geometric-mean concentrations discharged from the Akron Water Pollution Control Station. Decay rates of fecal bacteria measured in field studies in 1992 ranged from 0.0018 per hour to 0.0372 per hour for fecal coliform bacteria and from 0.0022 per hour to 0.0407 per hour for Escherichia coli. Most of the decay rates measured in June and August were significantly higher than decay rates measured in April and October. Results of field studies demonstrated that concentrations of fecal coliform bacteria were 1.2 to 58 times higher in streambed sediments than in the overlying water. Sediments are likely to be a relatively less important source of fecal bacteria during rainfall and runoff in the middle main stem relative to bacterial loading from point sources. Numerical streamflow and transport simulation models were calibrated and verified with data collected during field studies. Of the constituents modeled, bacteria exhibited the poorest correspondence between observed and simulated values. The simulation results for a dye tracer indicated that the model reasonably reproduced the timing of dissolved constituents as well as dilution and dispersion effects. Calibrated and verified models for 1991 and 1992 data sets were used to simulate the improvements to bacteriological water quality that might result from reductions in concentrations of fecal bacteria discharged from two major sources. The model simulation resulting in the greatest improvement in bacteriological water-quality was one in which concentrations of fecal coliform bacteria and Escherichia coli were reduced by 90 percent in the Cuyahoga River at the Old Portage gaging station, and to geometric-mean bathing-water standards in the effluent of the Akron Water Pollution Control Station (BWS/90 scenario). Compared to the results of the base-simulation, when the BWS/90 scenario was applied in the 1991 model simulation, Escherichia coli concentrations were reduced 98.5 percent at Botzum, 97.5 percent at Jaite, and 91.1 percent at Independence. For 1992 model simulations, similar percent reductions in the concentrations of Escherichia coli were predicted at the three stream sites when the same reductions were applied to sources. None of the model simulations resulted in attainment of bacteriological water-quality standards.The potential benefits of source reductions to human health and recreational uses were estimated by comparing the number of illnesses per 1,000 people from concentrations of Escherichia coli associated with the BWS/90 simulation, with the base simulation, and with the geometric-mean standard for Escherichia coli. The predicted 22 to 26 illnesses per 1,000 people predicted by the E. coli concentrations resulting from BWS/90 simulation are 2.8 to 3.3 times higher than the 8 illnesses per 1,000 people associated with the geometric-mean primary-contact water-quality standard for Escherichia coli. Risks associated with the base simulation are 4.6 to 4.9 times higher than that associated with the geometric-mean primary- contact water-quality standard for Escherichia coli. The illness risks predicted from the BWS/90 scenario, although larger than acceptable, would nevertheless be an improvement over conditions that were encountered during field studies in 1991-93.

Simulation of runoff and water quality for 1990 and 2008 land use conditions in the Reedy Creek watershed, East-Central Florida

USGS Publications Warehouse

Wicklein, Shaun M.; Schiffer, Donna M.

2002-01-01

Hydrologic and water-quality data have been collected within the 177-square-mile Reedy Creek, Florida, watershed, beginning as early as 1939, but the data have not been used to evaluate relations among land use, hydrology, and water quality. A model of the Reedy Creek watershed was developed and applied to the period January 1990 to December 1995 to provide a computational foundation for evaluating the effects of future land-use changes on hydrology and water quality in the watershed. The Hydrological Simulation Program-Fortran (HSPF) model was used to simulate hydrology and water quality of runoff for pervious land areas, impervious land areas, and stream reaches. Six land-use types were used to characterize the hydrology and water quality of pervious and impervious land areas in the Reedy Creek watershed: agriculture, rangeland, forest, wetlands, rapid infiltration basins, and urban areas. Hydrologic routing and water-quality reactions were simulated to characterize hydrologic and water-quality processes and the movement of runoff and its constituents through the main stream channels and their tributaries. Because of the complexity of the stream system within the Reedy Creek Improvement District (RCID) (hydraulic structures, retention ponds) and the anticipated difficulty of modeling the system, an approach of calibrating the model parameters for a subset of the gaged watersheds and confirming the usefulness of the parameters by simulating the remainder of the gaged sites was selected for this study. Two sub-watersheds (Whittenhorse Creek and Davenport Creek) were selected for calibration because both have similar land use to watersheds within the RCID (with the exception of urban areas). Given the lack of available rainfall data, the hydrologic calibration of the Whittenhorse Creek and Davenport Creek sub-watersheds was considered acceptable (for monthly data, correlation coefficients, 0.86 and 0.88, and coefficients of model-fit efficiency, 0.72 and 0.74, respectively). The hydrologic model was tested by applying the parameter sets developed for Whittenhorse Creek and Davenport Creek to other land areas within the Reedy Creek watershed, and by comparing the simulated results to observed data sets for Reedy Creek near Vineland, Bonnet Creek near Vineland, and Reedy Creek near Loughman. The hydrologic model confirmation for Reedy Creek near Vineland (correlation coefficient, 0.91, and coefficient of model fit efficiency, 0.78, for monthly flows) was acceptable. Flows for Bonnet Creek near Vineland were substantially under simulated. Consideration of the ground-water contribution to Bonnet Creek could improve the water balance simulation for Bonnet Creek near Vineland. On longer time scales (monthly or over the 72-month simulation period), simulated discharges for Reedy Creek near Loughman agreed well with observed data (correlation coefficient, 0.88). For monthly flows the coefficient of model-fit efficiency was 0.77. On a shorter time scale (less than a month), however, storm volumes were greatly over simulated and low flows (less than 8 cubic feet per second) were greatly under simulated. A primary reason for the poor results at low flows is the diversion of an unknown amount of water from the RCID at the Bonnet Creek near Kissimmee site. Selection of water-quality constituents for simulation was based primarily on the availability of water-quality data. Dissolved oxygen, nitrogen, and phosphorus species were simulated. Representation of nutrient cycling in HSPF also required simulation of biochemical oxygen demand and phytoplankton populations. The correlation coefficient for simulated and observed daily mean dissolved oxygen concentration values at Reedy Creek near Vineland was 0.633. Simulated time series of total phosphorus, phosphate, ammonia nitrogen, and nitrate nitrogen generally agreed well with periodically observed values for the Whittenhorse Creek and Davenport Creek sites. Simulated water-quality c

Self-assembly formation of palm-based esters nano-emulsion: A molecular dynamics study

NASA Astrophysics Data System (ADS)

Abdul Rahman, Mohd. Basyaruddin; Huan, Qiu-Yi; Tejo, Bimo A.; Basri, Mahiran; Salleh, Abu Bakar; Rahman, Raja Noor Zaliha Abdul

2009-10-01

Palm-oil esters (POEs) are unsaturated and non-ionic esters that can be prepared by enzymatic synthesis from palm oil. Their nano-emulsion properties possess great potential to act as drug carrier for transdermal drug delivery system. A ratio of 75:5:20 (water/POEs/Span20) was chosen from homogenous region in the phase diagram of our previous experimental work to undergo molecular dynamics simulation. A 15 ns molecular dynamics simulation of nano-emulsion system (water/POEs/Span20) was carried out using OPLS-AA force field. The aggregations of the oil and surfactant molecules are observed throughout the simulation. After 8 ns of simulation, the molecules start to aggregate to form one spherical micelle where the POEs molecules are surrounded by the non-ionic surfactant (Span20) molecules with an average size of 4.2 ± 0.05 nm. The size of the micelle and the ability of palm-based nano-emulsion to self-assemble suggest that this nano-emulsion can potentially use in transdermal drug delivery system.

Simulation model based on non-newtonian fluid mechanics applied to the evaluation of the embolic effect of emulsions of iodized oil and anticancer drug.

PubMed

Demachi, H; Matsui, O; Abo, H; Tatsu, H

2000-01-01

To verify the difference in embolic effect between oil-in-water (O-W) and water-in-oil (W-O) emulsions composed of iodized oil and an anticancer drug, epirubicin, using a simulation model based on non-Newtonian fluid mechanics. Flow curves of pure iodized oil and two types of O-W and W-O emulsions immediately and 1 hr after preparation were examined with a viscometer. Using the yield stress data obtained, we simulated the stagnation of each fluid with steady flow in a rigid tube. The W-O emulsions were observed to stagnate in the thin tube at a low pressure gradient. However, the embolic effect of the W-O emulsions decreased 1 hr after preparation. The O-W emulsions were stable and did not stagnate under the conditions in which the W-O emulsions stagnated. The simulation model showed that the embolic effect of the W-O emulsions was superior to that of the O-W emulsions.

Use of environmental tritium to characterize ground water flow systems in regolith and crystalline fractured-rock hydrogeologic settings

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stewart, L.M.; Rose, S.E.

1993-03-01

Environmental tritium concentrations measured in 84 ground-water, surface-water, and precipitation samples collected throughout the Piedmont and Blue Ridge physiographic provinces of northern Georgia were used in conjunction with available geological and hydrochemical data to develop general concepts of ground-water flow within a regolith and crystalline fractured-rock system. Tritium concentrations ranged from 0 tritium units (TU) in water sampled from unpumped wells completed in fractured bedrock to 34 TU in water sampled from pumped wells screened at various intervals within the overlying regolith. Tritium concentrations measured in spring discharge, streamflow, and precipitation also were within this range. The distribution of tritiummore » indicates that tritiated water is retained within the regolith and that pumping is an important mechanism for mixing water of different ages within the flow system. Simulations using an analytical mixing model were performed to estimate the degree of mixing and the residence time of ground water within the flow system. Results of the simulations compared favorably with other geological and hydrochemical data. Simulated residence times for tritiated water indicated that ground-water residence times may be greater than 37 years within the bedrock fractures, but as little as 15 years in pumped bedrock wells and streams. Estimates of ground-water ages were based on environmental tritium concentrations produced by thermonuclear bomb testing conducted during the years of 1961-1962.« less

Water quality modeling in the dead end sections of drinking water (Supplement)

EPA Pesticide Factsheets

Dead-end sections of drinking water distribution networks are known to be problematic zones in terms of water quality degradation. Extended residence time due to water stagnation leads to rapid reduction of disinfectant residuals allowing the regrowth of microbial pathogens. Water quality models developed so far apply spatial aggregation and temporal averaging techniques for hydraulic parameters by assigning hourly averaged water demands to the main nodes of the network. Although this practice has generally resulted in minimal loss of accuracy for the predicted disinfectant concentrations in main water transmission lines, this is not the case for the peripheries of the distribution network. This study proposes a new approach for simulating disinfectant residuals in dead end pipes while accounting for both spatial and temporal variability in hydraulic and transport parameters. A stochastic demand generator was developed to represent residential water pulses based on a non-homogenous Poisson process. Dispersive solute transport was considered using highly dynamic dispersion rates. A genetic algorithm was used tocalibrate the axial hydraulic profile of the dead-end pipe based on the different demand shares of the withdrawal nodes. A parametric sensitivity analysis was done to assess the model performance under variation of different simulation parameters. A group of Monte-Carlo ensembles was carried out to investigate the influence of spatial and temporal variation

Global water dynamics: issues for the 21st century.

PubMed

Simonovic, Slobodan P

2002-01-01

The WorldWater system dynamics model has been developed for modeling the global world water balance and capturing the dynamic character of the main variables affecting water availability and use in the future. Despite not being a novel approach, system dynamics offers a new way of addressing complex systems. WorldWater simulations are clearly demonstrating the strong feedback relation between water availability and different aspects of world development. Results of numerous simulations are contradictory to the assumption made by many global modelers that water is not an issue on the global scale. Two major observations can be made from early simulations: (a) the use of clean water for dilution and transport of wastewater, if not dealt with in other ways, imposes a major stress on the global world water balance; and (b) water use by different sectors is demonstrating quite different dynamics than predicted by classical forecasting tools and other water-models. Inherent linkages between water quantity and quality sectors with food, industry, persistent pollution, technology, and non-renewable resources sectors of the model create shoot and collapse behavior in water use dynamics. This paper discusses a number of different water-related scenarios and their implications on the global water balance. In particular, two extreme scenarios (business as usual - named "Chaos", and unlimited desalination - named "Ocean") are presented in the paper. Based on the conclusions derived from these two extreme cases a set of more moderate and realistic scenarios (named "Conservation") is proposed and their consequences on the global water balance are evaluated.

Effects of Simulated Land-Use Changes on Water Quality of Lake Maumelle, Arkansas

USGS Publications Warehouse

Hart, Rheannon M.; Westerman, Drew A.; Petersen, James C.; Green, W. Reed; De Lanois, Jeanne L.

2011-01-01

Lake Maumelle is one of two principal drinking-water supplies for the Little Rock and North Little Rock metropolitan areas. Lake Maumelle and the Maumelle River (its primary tributary) are more pristine than most other reservoirs and streams in the region. However, as the Lake Maumelle watershed becomes increasingly more urbanized and timber harvesting becomes more frequent, concerns about the sustainability of the quality of the water supply also have increased. Two models were developed to partially address these concerns. A Hydrological Simulation Program-FORTRAN model was developed using input data collected from October 2004 through 2008. A CE-QUAL-W2 model was developed to simulate reservoir hydrodynamics and selected water quality using the simulated output from the Hydrological Simulation Program-FORTRAN model from January 2005 through 2008. The Hydrological Simulation Program-FORTRAN watershed model was calibrated to five streamflow-gaging stations, and in general, these stations characterize a range of subwatershed areas with varying land-use types. Continuous streamflow data, discrete sediment concentration data, and other discrete water-quality data were used to calibrate the Lake Maumelle Hydrological Simulation Program-FORTRAN model. The CE-QUAL-W2 reservoir model was calibrated to water-quality data and reservoir pool altitude collected during January 2005 through December 2008 at three lake stations. In general, the overall simulation for the Hydrological Simulation Program-FORTRAN and CE-UAL-W2 models matched reasonably well to the measured data. In general, simulated and measured suspended-sediment concentrations during periods of base flow (streamflows not substantially influenced by runoff) agree reasonably well for Williams Junction (with differences-simulated minus measured value-generally ranging from -14 to 19 mg/L, and percent difference-relative to the measured value-ranging from -87 to 642 percent) and Wye (differences generally ranging from -2 to 14 mg/L, -62 to 251 percent); however, the Hydrological Simulation Program-FORTRAN model generally does not match the suspended-sediment concentrations for all stations during periods of stormflow (streamflow substantially influenced by runoff). Generally, this is also the case for fecal coliform bacteria numbers and total organic carbon and nutrient concentrations. In general, water temperature and dissolved-oxygen concentration simulations followed measured seasonal trends for all stations with the largest differences occurring during periods of lowest water temperatures (for temperature) or during the periods of lowest measured dissolved-oxygen concentrations (for dissolved oxygen). For the CE-QUAL-W2 model, simulated vertical distributions of temperatures and dissolved-oxygen concentrations agreed with measured distributions even for complex temperature profiles. Considering the oligotrophic-mesotrophic (low to intermediate primary productivity and associated low nutrient concentrations) condition of Lake Maumelle, simulated algae, phosphorus, and ammonia concentrations compared well with generally low measured values.

Computer simulation to predict energy use, greenhouse gas emissions and costs for production of fluid milk using alternative processing methods

USDA-ARS?s Scientific Manuscript database

Computer simulation is a useful tool for benchmarking the electrical and fuel energy consumption and water use in a fluid milk plant. In this study, a computer simulation model of the fluid milk process based on high temperature short time (HTST) pasteurization was extended to include models for pr...

Comparison of APSIM and DNDC simulations of nitrogen transformations and N2O emissions.

PubMed

Vogeler, I; Giltrap, D; Cichota, R

2013-11-01

Various models have been developed to better understand nitrogen (N) cycling in soils, which is governed by a complex interaction of physical, chemical and biological factors. Two process-based models, the Agricultural Production Systems sIMulator (APSIM) and DeNitrification DeComposition (DNDC), were used to simulate nitrification, denitrification and nitrous oxide (N2O) emissions from soils following N input from either fertiliser or excreta deposition. The effect of environmental conditions on N transformations as simulated by the two different models was compared. Temperature had a larger effect in APSIM on nitrification, whereas in DNDC, water content produced a larger response. In contrast, simulated denitrification showed a larger response to temperature and also organic carbon content in DNDC. And while denitrification in DNDC is triggered by rainfall ≥5mm/h, in APSIM, the driving factor is soil water content, with a trigger point at water content at field capacity. The two models also showed different responses to N load, with nearly linearly increasing N2O emission rates with N load simulated by DNDC, and a lower rate by APSIM. Increasing rainfall intensity decreased APSIM-simulated N2O emissions but increased those simulated by DNDC. Copyright © 2012 Elsevier B.V. All rights reserved.

An approach to hydrogeological modeling of a large system of groundwater-fed lakes and wetlands in the Nebraska Sand Hills, USA

NASA Astrophysics Data System (ADS)

Rossman, Nathan R.; Zlotnik, Vitaly A.; Rowe, Clinton M.

2018-05-01

The feasibility of a hydrogeological modeling approach to simulate several thousand shallow groundwater-fed lakes and wetlands without explicitly considering their connection with groundwater is investigated at the regional scale ( 40,000 km2) through an application in the semi-arid Nebraska Sand Hills (NSH), USA. Hydraulic heads are compared to local land-surface elevations from a digital elevation model (DEM) within a geographic information system to assess locations of lakes and wetlands. The water bodies are inferred where hydraulic heads exceed, or are above a certain depth below, the land surface. Numbers of lakes and/or wetlands are determined via image cluster analysis applied to the same 30-m grid as the DEM after interpolating both simulated and estimated heads. The regional water-table map was used for groundwater model calibration, considering MODIS-based net groundwater recharge data. Resulting values of simulated total baseflow to interior streams are within 1% of observed values. Locations, areas, and numbers of simulated lakes and wetlands are compared with Landsat 2005 survey data and with areas of lakes from a 1979-1980 Landsat survey and the National Hydrography Dataset. This simplified process-based modeling approach avoids the need for field-based morphology or water-budget data from individual lakes or wetlands, or determination of lake-groundwater exchanges, yet it reproduces observed lake-wetland characteristics at regional groundwater management scales. A better understanding of the NSH hydrogeology is attained, and the approach shows promise for use in simulations of groundwater-fed lake and wetland characteristics in other large groundwater systems.

Modelling in-stream temperature and dissolved oxygen at sub-daily time steps: an application to the River Kennet, UK.

PubMed

Williams, Richard J; Boorman, David B

2012-04-15

The River Kennet in southern England shows a clear diurnal signal in both water temperature and dissolved oxygen concentrations through the summer months. The water quality model QUESTOR was applied in a stepwise manner (adding modelled processes or additional data) to simulate the flow, water temperature and dissolved oxygen concentrations along a 14 km reach. The aim of the stepwise model building was to find the simplest process-based model which simulated the observed behaviour accurately. The upstream boundary used was a diurnal signal of hourly measurements of water temperature and dissolved oxygen. In the initial simulations, the amplitude of the signal quickly reduced to zero as it was routed through the model; a behaviour not seen in the observed data. In order to keep the correct timing and amplitude of water temperature a heating term had to be introduced into the model. For dissolved oxygen, primary production from macrophytes was introduced to better simulate the oxygen pattern. Following the modifications an excellent simulation of both water temperature and dissolved oxygen was possible at an hourly resolution. It is interesting to note that it was not necessary to include nutrient limitation to the primary production model. The resulting model is not sufficiently proven to support river management but suggests that the approach has some validity and merits further development. Crown Copyright © 2012. Published by Elsevier B.V. All rights reserved.

Turbulence-enhanced bottom melting of a horizontal glacier--lake interface

NASA Astrophysics Data System (ADS)

Keitzl, T.; Mellado, J. P.; Notz, D.

2014-12-01

We use laboratory tank experiments and direct numerical simulations to investigate the meltrates of a horizontal bottom glacier--lake interface as a function of lake temperature. Existing parameterisations of such meltrates are usually based on empirical fits to field observations. To understand the meltrates of an ice--water interface more systematically we study an idealised system in terms of its temperature-driven buoyancy forcing. In such systems, the meltrate can be expressed analytically for a stable stratification. Here we investigate the unstable case and present how the meltrate depends on the lake temperature when the water beneath the ice is overturning and turbulent. We use laboratory tank experiments and direct numerical simulations to study an idealised ice--water boundary. The laboratory tank experiments provide robust observation-based mean-temperature profiles. The numerical simulations provide the full three-dimensional structure of the turbulent flow down to scales not accessible in the laboratory, with a minimum 0.2mm gridspacing. Our laboratory mean-temperature profiles agree well with the numerical simulations and lend credibility to our numerical setup. The structure of the turbulent flow in our simulations is well described by two self-similar subregions, a diffusion-dominated inner layer close to the ice and a turbulence-dominated outer layer far from the ice. We provide an explicit expression for the parameterisation of the meltrate of a horizontal glacier--lake interface as a function of lake temperature.

Meeting in Turkey: WASP Transport Modeling and WASP Ecological Modeling

EPA Science Inventory

A combination of lectures, demonstrations, and hands-on excercises will be used to introduce pollutant transport modeling with the U.S. EPA's general water quality model, WASP (Water Quality Analysis Simulation Program). WASP features include a user-friendly Windows-based interfa...

Meeting in Korea: WASP Transport Modeling and WASP Ecological Modeling

EPA Science Inventory

A combination of lectures, demonstrations, and hands-on excercises will be used to introduce pollutant transport modeling with the U.S. EPA's general water quality model, WASP (Water Quality Analysis Simulation Program). WASP features include a user-friendly Windows-based interfa...

Modelling metaldehyde in catchments: a River Thames case-study.

PubMed

Lu, Q; Whitehead, P G; Bussi, G; Futter, M N; Nizzetto, L

2017-04-19

The application of metaldehyde to agricultural catchment areas to control slugs and snails has caused severe problems for drinking water supply in recent years. In the River Thames catchment, metaldehyde has been detected at levels well above the EU and UK drinking water standards of 0.1 μg l -1 at many sites across the catchment between 2008 and 2015. Metaldehyde is applied in autumn and winter, leading to its increased concentrations in surface waters. It is shown that a process-based hydro-biogeochemical transport model (INCA-contaminants) can be used to simulate metaldehyde transport in catchments from areas of application to the aquatic environment. Simulations indicate that high concentrations in the river system are a direct consequence of excessive application rates. A simple application control strategy for metaldehyde in the Thames catchment based on model results is presented.

GROMOS polarizable charge-on-spring models for liquid urea: COS/U and COS/U2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lin, Zhixiong; Bachmann, Stephan J.; Gunsteren, Wilfred F. van, E-mail: wfvgn@igc.phys.chem.ethz.ch

2015-03-07

Two one-site polarizable urea models, COS/U and COS/U2, based on the charge-on-spring model are proposed. The models are parametrized against thermodynamic properties of urea-water mixtures in combination with the polarizable COS/G2 and COS/D2 models for liquid water, respectively, and have the same functional form of the inter-atomic interaction function and are based on the same parameter calibration procedure and type of experimental data as used to develop the GROMOS biomolecular force field. Thermodynamic, dielectric, and dynamic properties of urea-water mixtures simulated using the polarizable models are closer to experimental data than using the non-polarizable models. The COS/U and COS/U2 modelsmore » may be used in biomolecular simulations of protein denaturation.« less

Relative significance of microtopography and vegetation as controls on surface water flow on a low-gradient floodplain

USGS Publications Warehouse

Choi, Jungyill; Harvey, Judson W.

2014-01-01

Surface water flow controls water velocities, water depths, and residence times, and influences sediment and nutrient transport and other ecological processes in shallow aquatic systems. Flow through wetlands is substantially influenced by drag on vegetation stems but is also affected by microtopography. Our goal was to use microtopography data directly in a widely used wetland model while retaining the advantages of the model’s one-dimensional structure. The base simulation with no explicit treatment of microtopography only performed well for a period of high water when vegetation dominated flow resistance. Extended simulations using microtopography can improve the fit to low-water conditions substantially. The best fit simulation had a flow conductance parameter that decreased in value by 70 % during dry season such that mcrotopographic features blocked 40 % of the cross sectional width for flow. Modeled surface water became ponded and flow ceased when 85 % of the cross sectional width became blocked by microtopographic features. We conclude that vegetation drag dominates wetland flow resistance at higher water levels and microtopography dominates at low water levels with the threshold delineated by the top of microtopographic features. Our results support the practicality of predicting flow on floodplains using relatively easily measured physical and biological variables.

Analysis of sensitivity of simulated recharge to selected parameters for seven watersheds modeled using the precipitation-runoff modeling system

USGS Publications Warehouse

Ely, D. Matthew

2006-01-01

Recharge is a vital component of the ground-water budget and methods for estimating it range from extremely complex to relatively simple. The most commonly used techniques, however, are limited by the scale of application. One method that can be used to estimate ground-water recharge includes process-based models that compute distributed water budgets on a watershed scale. These models should be evaluated to determine which model parameters are the dominant controls in determining ground-water recharge. Seven existing watershed models from different humid regions of the United States were chosen to analyze the sensitivity of simulated recharge to model parameters. Parameter sensitivities were determined using a nonlinear regression computer program to generate a suite of diagnostic statistics. The statistics identify model parameters that have the greatest effect on simulated ground-water recharge and that compare and contrast the hydrologic system responses to those parameters. Simulated recharge in the Lost River and Big Creek watersheds in Washington State was sensitive to small changes in air temperature. The Hamden watershed model in west-central Minnesota was developed to investigate the relations that wetlands and other landscape features have with runoff processes. Excess soil moisture in the Hamden watershed simulation was preferentially routed to wetlands, instead of to the ground-water system, resulting in little sensitivity of any parameters to recharge. Simulated recharge in the North Fork Pheasant Branch watershed, Wisconsin, demonstrated the greatest sensitivity to parameters related to evapotranspiration. Three watersheds were simulated as part of the Model Parameter Estimation Experiment (MOPEX). Parameter sensitivities for the MOPEX watersheds, Amite River, Louisiana and Mississippi, English River, Iowa, and South Branch Potomac River, West Virginia, were similar and most sensitive to small changes in air temperature and a user-defined flow routing parameter. Although the primary objective of this study was to identify, by geographic region, the importance of the parameter value to the simulation of ground-water recharge, the secondary objectives proved valuable for future modeling efforts. The value of a rigorous sensitivity analysis can (1) make the calibration process more efficient, (2) guide additional data collection, (3) identify model limitations, and (4) explain simulated results.

Polarization impacts on the water-leaving radiance retrieval from above-water radiometric measurements.

PubMed

Harmel, Tristan; Gilerson, Alexander; Tonizzo, Alberto; Chowdhary, Jacek; Weidemann, Alan; Arnone, Robert; Ahmed, Sam

2012-12-10

Above-water measurements of water-leaving radiance are widely used for water-quality monitoring and ocean-color satellite data validation. Reflected skylight in above-water radiometry needs to be accurately estimated prior to derivation of water-leaving radiance. Up-to-date methods to estimate reflection of diffuse skylight on rough sea surfaces are based on radiative transfer simulations and sky radiance measurements. But these methods neglect the polarization state of the incident skylight, which is generally highly polarized. In this paper, the effects of polarization on the sea surface reflectance and the subsequent water-leaving radiance estimation are investigated. We show that knowledge of the polarization field of the diffuse skylight significantly improves above-water radiometry estimates, in particular in the blue part of the spectrum where the reflected skylight is dominant. A newly developed algorithm based on radiative transfer simulations including polarization is described. Its application to the standard Aerosol Robotic Network-Ocean Color and hyperspectral radiometric measurements of the 1.5-year dataset acquired at the Long Island Sound site demonstrates the noticeable importance of considering polarization for water-leaving radiance estimation. In particular it is shown, based on time series of collocated data acquired in coastal waters, that the azimuth range of measurements leading to good-quality data is significantly increased, and that these estimates are improved by more than 12% at 413 nm. Full consideration of polarization effects is expected to significantly improve the quality of the field data utilized for satellite data validation or potential vicarious calibration purposes.

Extratropical Influence of Upper Tropospheric Water Vapor on Greenhouse Warming

NASA Technical Reports Server (NTRS)

Hu, H.; Liu, W.

1998-01-01

The purpose of this paper is to re-examine the impact of upper tropospheric water vapor on greenhouse warming in midlatitudes by analyzing the recent observations of the upper tropospheric water vapor from the Microwave Limb Sounder (MLS) on the Upper Atmosphere Research Satellite (UARS), in conjuction with other space-based measurement and model simulation products.

Long-term simulation of growth stage-based irrigation scheduling in maize under various water constraints in Colorado, USA

USDA-ARS?s Scientific Manuscript database

Due to the differential crop responses to water stress at different growth stages, scheduling irrigation within a crop season is a challenge facing agricultural producers, especially when water availability varies on a monthly, seasonal and yearly basis. The objective of this study was to optimize i...

Connection Zones, Surface Water - Groundwater: Aquifers Associated To Niger Central Delta, In Mali.

NASA Astrophysics Data System (ADS)

Kone, S.

2016-12-01

Surface water infiltration recharging Mali aquifers occurs through, underlying perched hydrogeological networks, lacustrine zones of the Central Delta or inundation valleys. The mapping of both the Surface water and the Groundwater, their types and availabilities, are briefly presented, and the focus of the study is on the types of hydraulic connections between these water bodies. The aquifers hydraulically connected to the Niger Central Delta flows systems are Continental Terminal/Quaternary, and they concern some areas where either inundation or perennial surface water flow occurs. These aquifers belong to the hydrogeological Unit of Central Delta where the recharge by surface water is estimated to be five percent of the flow loss between the entry and the outlet of this hydrological system. Some attempts of simulation along with a review based on the first studies synthetized in "Synthese Hydrogeologique du Mali" would permit to pave the way to other studies on these hydraulically connected zones in Mali. A previews simulation study, about mapping the potential rate of pumping capacity, corroborates some observed structural characteristics and leads to subdivide the area in two hydrogeological sectors, and the present simulation studies focus on the sector "Macina -Diaka" where surface water are in hydraulic relation with groundwater.

Anticipating on amplifying water stress: Optimal crop production supported by anticipatory water management

NASA Astrophysics Data System (ADS)

Bartholomeus, Ruud; van den Eertwegh, Gé; Simons, Gijs

2015-04-01

Agricultural crop yields depend largely on the soil moisture conditions in the root zone. Drought but especially an excess of water in the root zone and herewith limited availability of soil oxygen reduces crop yield. With ongoing climate change, more prolonged dry periods alternate with more intensive rainfall events, which changes soil moisture dynamics. With unaltered water management practices, reduced crop yield due to both drought stress and waterlogging will increase. Therefore, both farmers and water management authorities need to be provided with opportunities to reduce risks of decreasing crop yields. In The Netherlands, agricultural production of crops represents a market exceeding 2 billion euros annually. Given the increased variability in meteorological conditions and the resulting larger variations in soil moisture contents, it is of large economic importance to provide farmers and water management authorities with tools to mitigate risks of reduced crop yield by anticipatory water management, both at field and at regional scale. We provide the development and the field application of a decision support system (DSS), which allows to optimize crop yield by timely anticipation on drought and waterlogging situations. By using this DSS, we will minimize plant water stress through automated drainage and irrigation management. In order to optimize soil moisture conditions for crop growth, the interacting processes in the soil-plant-atmosphere system need to be considered explicitly. Our study comprises both the set-up and application of the DSS on a pilot plot in The Netherlands, in order to evaluate its implementation into daily agricultural practice. The DSS focusses on anticipatory water management at the field scale, i.e. the unit scale of interest to a farmer. We combine parallel field measurements ('observe'), process-based model simulations ('predict'), and the novel Climate Adaptive Drainage (CAD) system ('adjust') to optimize soil moisture conditions. CAD is used both for controlled drainage practices and for sub-irrigation. The DSS has a core of the plot-scale SWAP model (soil-water-atmosphere-plant), extended with a process-based module for the simulation of oxygen stress for plant roots. This module involves macro-scale and micro-scale gas diffusion, as well as the plant physiological demand of oxygen, to simulate transpiration reduction due to limited oxygen availability. Continuous measurements of soil moisture content, groundwater level, and drainage level are used to calibrate the SWAP model each day. This leads to an optimal reproduction of the actual soil moisture conditions by data assimilation in the first step in the DSS process. During the next step, near-future (+10 days) soil moisture conditions and drought and oxygen stress are predicted using weather forecasts. Finally, optimal drainage levels to minimize stress are simulated, which can be established by CAD. Linkage to a grid-based hydrological simulation model (SPHY) facilitates studying the spatial dynamics of soil moisture and associated implications for management at the regional scale. Thus, by using local-scale measurements, process-based models and weather forecasts to anticipate on near-future conditions, not only field-scale water management but also regional surface water management can be optimized both in space and time.

Determining erosion relevant soil characteristics with a small-scale rainfall simulator

NASA Astrophysics Data System (ADS)

Schindewolf, M.; Schmidt, J.

2009-04-01

The use of soil erosion models is of great importance in soil and water conservation. Routine application of these models on the regional scale is not at least limited by the high parameter demands. Although the EROSION 3D simulation model is operating with a comparable low number of parameters, some of the model input variables could only be determined by rainfall simulation experiments. The existing data base of EROSION 3D was created in the mid 90s based on large-scale rainfall simulation experiments on 22x2m sized experimental plots. Up to now this data base does not cover all soil and field conditions adequately. Therefore a new campaign of experiments would be essential to produce additional information especially with respect to the effects of new soil management practices (e.g. long time conservation tillage, non tillage). The rainfall simulator used in the actual campaign consists of 30 identic modules, which are equipped with oscillating rainfall nozzles. Veejet 80/100 (Spraying Systems Co., Wheaton, IL) are used in order to ensure best possible comparability to natural rainfalls with respect to raindrop size distribution and momentum transfer. Central objectives of the small-scale rainfall simulator are - effectively application - provision of comparable results to large-scale rainfall simulation experiments. A crucial problem in using the small scale simulator is the restriction on rather small volume rates of surface runoff. Under this conditions soil detachment is governed by raindrop impact. Thus impact of surface runoff on particle detachment cannot be reproduced adequately by a small-scale rainfall simulator With this problem in mind this paper presents an enhanced small-scale simulator which allows a virtual multiplication of the plot length by feeding additional sediment loaded water to the plot from upstream. Thus is possible to overcome the plot length limited to 3m while reproducing nearly similar flow conditions as in rainfall experiments on standard plots. The simulator is extensively applied to plots of different soil types, crop types and management systems. The comparison with existing data sets obtained by large-scale rainfall simulations show that results can adequately be reproduced by the applied combination of small-scale rainfall simulator and sediment loaded water influx.

Short-range precipitation forecasts using assimilation of simulated satellite water vapor profiles and column cloud liquid water amounts

NASA Technical Reports Server (NTRS)

Wu, Xiaohua; Diak, George R.; Hayden, Cristopher M.; Young, John A.

1995-01-01

These observing system simulation experiments investigate the assimilation of satellite-observed water vapor and cloud liquid water data in the initialization of a limited-area primitive equations model with the goal of improving short-range precipitation forecasts. The assimilation procedure presented includes two aspects: specification of an initial cloud liquid water vertical distribution and diabatic initialization. The satellite data is simulated for the next generation of polar-orbiting satellite instruments, the Advanced Microwave Sounding Unit (AMSU) and the High-Resolution Infrared Sounder (HIRS), which are scheduled to be launched on the NOAA-K satellite in the mid-1990s. Based on cloud-top height and total column cloud liquid water amounts simulated for satellite data a diagnostic method is used to specify an initial cloud water vertical distribution and to modify the initial moisture distribution in cloudy areas. Using a diabatic initialization procedure, the associated latent heating profiles are directly assimilated into the numerical model. The initial heating is estimated by time averaging the latent heat release from convective and large-scale condensation during the early forecast stage after insertion of satellite-observed temperature, water vapor, and cloud water formation. The assimilation of satellite-observed moisture and cloud water, together withy three-mode diabatic initialization, significantly alleviates the model precipitation spinup problem, especially in the first 3 h of the forecast. Experimental forecasts indicate that the impact of satellite-observed temperature and water vapor profiles and cloud water alone in the initialization procedure shortens the spinup time for precipitation rates by 1-2 h and for regeneration of the areal coverage by 3 h. The diabatic initialization further reduces the precipitation spinup time (compared to adiabatic initialization) by 1 h.

Structured water in polyelectrolyte dendrimers: Understanding small angle neutron scattering results through atomistic simulation

NASA Astrophysics Data System (ADS)

Wu, Bin; Kerkeni, Boutheïna; Egami, Takeshi; Do, Changwoo; Liu, Yun; Wang, Yongmei; Porcar, Lionel; Hong, Kunlun; Smith, Sean C.; Liu, Emily L.; Smith, Gregory S.; Chen, Wei-Ren

2012-04-01

Based on atomistic molecular dynamics (MD) simulations, the small angle neutron scattering (SANS) intensity behavior of a single generation-4 polyelectrolyte polyamidoamine starburst dendrimer is investigated at different levels of molecular protonation. The SANS form factor, P(Q), and Debye autocorrelation function, γ(r), are calculated from the equilibrium MD trajectory based on a mathematical approach proposed in this work. The consistency found in comparison against previously published experimental findings (W.-R. Chen, L. Porcar, Y. Liu, P. D. Butler, and L. J. Magid, Macromolecules 40, 5887 (2007)) leads to a link between the neutron scattering experiment and MD computation, and fresh perspectives. The simulations enable scattering calculations of not only the hydrocarbons but also the contribution from the scattering length density fluctuations caused by structured, confined water within the dendrimer. Based on our computational results, we explore the validity of using radius of gyration RG for microstructure characterization of a polyelectrolyte dendrimer from the scattering perspective.

Evaluation of a Drowning Prevention Program Based on Testimonial Videos: A Randomized Controlled Trial.

PubMed

Shen, Jiabin; Pang, Shulan; Schwebel, David C

2016-06-01

Unintentional drowning is the most common cause of childhood death in rural China. Global intervention efforts offer mixed results regarding the efficacy of educational programs. Using a randomized controlled design, we evaluated a testimonial-based intervention to reduce drowning risk among 280 3rd- and 4th-grade rural Chinese children. Children were randomly assigned to view either testimonials on drowning risk (intervention) or dog-bite risk (control). Safety knowledge and perceived vulnerability were measured by self-report questionnaires, and simulated behaviors in and near water were assessed with a culturally appropriate dollhouse task. Children in the intervention group had improved children's safety knowledge and simulated behaviors but not perceived vulnerability compared with controls. The testimonial-based intervention's efficacy appears promising, as it improved safety knowledge and simulated risk behaviors with water among rural Chinese children. © The Author 2015. Published by Oxford University Press on behalf of the Society of Pediatric Psychology. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Water-Balance Model to Simulate Historical Lake Levels for Lake Merced, California

NASA Astrophysics Data System (ADS)

Maley, M. P.; Onsoy, S.; Debroux, J.; Eagon, B.

2009-12-01

Lake Merced is a freshwater lake located in southwestern San Francisco, California. In the late 1980s and early 1990s, an extended, severe drought impacted the area that resulted in significant declines in Lake Merced lake levels that raised concerns about the long-term health of the lake. In response to these concerns, the Lake Merced Water Level Restoration Project was developed to evaluate an engineered solution to increase and maintain Lake Merced lake levels. The Lake Merced Lake-Level Model was developed to support the conceptual engineering design to restore lake levels. It is a spreadsheet-based water-balance model that performs monthly water-balance calculations based on the hydrological conceptual model. The model independently calculates each water-balance component based on available climate and hydrological data. The model objective was to develop a practical, rule-based approach for the water balance and to calibrate the model results to measured lake levels. The advantage of a rule-based approach is that once the rules are defined, they enhance the ability to then adapt the model for use in future-case simulations. The model was calibrated to historical lake levels over a 70-year period from 1939 to 2009. Calibrating the model over this long historical range tested the model over a variety of hydrological conditions including wet, normal and dry precipitation years, flood events, and periods of high and low lake levels. The historical lake level range was over 16 feet. The model calibration of historical to simulated lake levels had a residual mean of 0.02 feet and an absolute residual mean of 0.42 feet. More importantly, the model demonstrated the ability to simulate both long-term and short-term trends with a strong correlation of the magnitude for both annual and seasonal fluctuations in lake levels. The calibration results demonstrate an improved conceptual understanding of the key hydrological factors that control lake levels, reduce uncertainty in the hydrological conceptual model, and increase confidence in the model’s ability to forecast future lake conditions. The Lake Merced Lake-Level Model will help decision-makers with a straightforward, practical analysis of the major contributions to lake-level declines that can be used to support engineering, environmental and other decisions.

Simulating future water temperatures in the North Santiam River, Oregon

USGS Publications Warehouse

Buccola, Norman; Risley, John C.; Rounds, Stewart A.

2016-01-01

A previously calibrated two-dimensional hydrodynamic and water-quality model (CE-QUAL-W2) of Detroit Lake in western Oregon was used in conjunction with inflows derived from Precipitation-Runoff Modeling System (PRMS) hydrologic models to examine in-lake and downstream water temperature effects under future climate conditions. Current and hypothetical operations and structures at Detroit Dam were imposed on boundary conditions derived from downscaled General Circulation Models in base (1990–1999) and future (2059–2068) periods. Compared with the base period, future air temperatures were about 2 °C warmer year-round. Higher air temperature and lower precipitation under the future period resulted in a 23% reduction in mean annual PRMS-simulated discharge and a 1 °C increase in mean annual estimated stream temperatures flowing into the lake compared to the base period. Simulations incorporating current operational rules and minimum release rates at Detroit Dam to support downstream habitat, irrigation, and water supply during key times of year resulted in lower future lake levels. That scenario results in a lake level that is above the dam’s spillway crest only about half as many days in the future compared to historical frequencies. Managing temperature downstream of Detroit Dam depends on the ability to blend warmer water from the lake’s surface with cooler water from deep in the lake, and the spillway is an important release point near the lake’s surface. Annual average in-lake and release temperatures from Detroit Lake warmed 1.1 °C and 1.5 °C from base to future periods under present-day dam operational rules and fill schedules. Simulated dam operations such as beginning refill of the lake 30 days earlier or reducing minimum release rates (to keep more water in the lake to retain the use of the spillway) mitigated future warming to 0.4 and 0.9 °C below existing operational scenarios during the critical autumn spawning period for endangered salmonids. A hypothetical floating surface withdrawal at Detroit Dam improved temperature control in summer and autumn (0.6 °C warmer in summer, 0.6 °C cooler in autumn compared to existing structures) without altering release rates or lake level management rules.

PRESTIGRIS: an operational system for water resources and droughts management on Tuscany, Central Italy

NASA Astrophysics Data System (ADS)

Campo, Lorenzo; Caparrini, Francesca; Castelli, Fabio

2013-04-01

In the last years the problems of water management faced by local administration due to the growing demand of the territory and to the changes in terms of availability became more and more important. Also in view of problems issued by the Climate Change, it is necessary to have the availability of information about the present and the future state of the water resources on the territory, both in terms of stress of the water bodies and of trends in the near-future. In this respect, an adequate management and planning of the water resources can make use of meteorological seasonal forecasts (one-three month) for the assessment of the primary sources of fresh water in a given region. The PRESTIGRIS project (PREvisioni STagionali Idrologiche per la Gestione della Risorsa Idrica e della Siccità - hydrologic seasonal forecasts for water resources and droughts management), implemented at the University of Florence in collaboration with Eumechanos Environmental Engineering and LaMMa (Laboratorio di Monitoraggio e Modellistica ambientale, Laboratory for Environmental Monitoring and Modeling), is aimed to provide hydrological seasonal forecasts on the territory of the Tuscany Region, Central Italy, basing on the seasonal meteorological forecasts available at different Weather Services (NOAA, IRI, etc.). The PRESTIGRIS system is based on a stochastic disaggregation of the monthly seasonal forecasts of minimum and maximum air temperature at the ground and of the total rainfall height. Through an analysis based on Principal Component Analysis (PCA) techniques, the forecasts are disaggregated in daily maps at a spatial resolution (500 m) compatible with a complete hydrological balance simulation, performed on the entire Tuscany region (about 22000 km2) by the distributed hydrological model MOBIDIC (MOdello di BIlancio Distribuito e Continuo), developed at the Department of Civil and Environmental Engineering of the University of Florence. Given a single seasonal forecast, the system performs an ensemble of 50 hydrological simulations. Basing on the results of the simulations, significant quantiles of the main variables of interest (soil saturation, discharge flows in the stream network, evapotranspiration) are mapped on the territory. The results of the simulations for the year 2003, in particular during the severe drought occurred during the summer, are shown as an example of the capabilities of the system.

Analytical approximation and numerical simulations for periodic travelling water waves

NASA Astrophysics Data System (ADS)

Kalimeris, Konstantinos

2017-12-01

We present recent analytical and numerical results for two-dimensional periodic travelling water waves with constant vorticity. The analytical approach is based on novel asymptotic expansions. We obtain numerical results in two different ways: the first is based on the solution of a constrained optimization problem, and the second is realized as a numerical continuation algorithm. Both methods are applied on some examples of non-constant vorticity. This article is part of the theme issue 'Nonlinear water waves'.

WE-FG-207B-06: Plaque Composition Measurement with Dual Energy Computed Tomography

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, C; Ding, H; Malkasian, S

Purpose: To investigate the feasibility of characterizing arterial plaque composition in terms of water, lipid and protein or calcium using dual energy computed tomography. Characterization of plaque composition can potentially help distinguish vulnerable from stable plaques. Methods: Simulations studies were performed by the CT simulator based on ASTRA tomography toolbox. The beam energy for dual energy images was selected to be 80 kVp and 135 kVp. The radiation dose and energy spectrum for the CT simulator were carefully calibrated with respect to a 320-slice CT scanner. A digital chest phantom was constructed using Matlab for calibration and plaque measurement. Puremore » water, lipid, protein or calcium was used for calibration and a mixture of different volume percentages of these materials were used for validation purposes. Non-calcified plaque was simulated using water, lipid and protein with volumetric percentage range of 35%∼65%, 5%∼60% and 5%∼40%, respectively. Calcified plaque was simulated using water, lipid and calcium with volumetric percentage range of 50%∼80%, 8%∼45% and 3%∼13%, respectively. We employed iterative sinogram processing (ISP) to reduce the beam hardening effect in the simulation to improve the decomposition results. Results: The simulated known composition and dual energy decomposition results were in good agreement. Water, lipid and protein (calcium) mixtures were decomposed into water, lipid and protein (calcium) contents. The RMS errors of volumetric percentage for the water, lipid and protein (non-calcified plaque) decomposition, as compared to known values, were estimated to be approximately 5.74%, 2.54%, and 0.95% respectively. The RMS errors of volumetric percentage for the water, lipid and Calcium (calcified plaque) decomposition, as compared to known values, were estimated to be approximately 7.4%, 8.64%, and 0.08% respectively. Conclusion: The results of this study suggest that the dual energy decomposition can potentially be used to quantify the water, lipid, and protein or calcium composition of a plaque with relatively good accuracy. Grant funding from Toshiba Medical Systems and Philips Medical Systems.« less

Water pollution risk simulation and prediction in the main canal of the South-to-North Water Transfer Project

NASA Astrophysics Data System (ADS)

Tang, Caihong; Yi, Yujun; Yang, Zhifeng; Cheng, Xi

2014-11-01

The middle route of the South-to-North Water Transfer Project (MRP) will divert water to Beijing Tuancheng Lake from Taocha in the Danjiangkou reservoir located in the Hubei province of China. The MRP is composed of a long canal and complex hydraulic structures and will transfer water in open channel areas to provide drinking water for Beijing, Shijiazhuang and other cities under extremely strict water quality requirements. A large number of vehicular accidents, occurred on the many highway bridges across the main canal would cause significant water pollution in the main canal. To ensure that water quality is maintained during the diversion process, the effects of pollutants on water quality due to sudden pollution accidents were simulated and analyzed in this paper. The MIKE11 HD module was used to calculate the hydraulic characteristics of the 42-km Xishi-to-Beijuma River channel of the MRP. Six types of hydraulic structures, including inverted siphons, gates, highway bridges, culverts and tunnels, were included in this model. Based on the hydrodynamic model, the MIKE11 AD module, which is one-dimensional advection dispersion model, was built for TP, NH3-N, CODMn and F. The validated results showed that the computed values agreed well with the measured values. In accordance with transportation data across the Dianbei Highway Bridge, the effects of traffic accidents on the bridge on water quality were analyzed. Based on simulated scenarios with three discharge rates (ranged from 12 m3/s to 17 m3/s, 40 m3/s, and 60 m3/s) and three pollution loading concentration levels (5 t, 10 t and 20 t) when trucks spill their contents (i.e., phosphate fertilizer, cyanide, oil and chromium solution) into the channel, emergency measures were proposed. Reasonable solutions to ensure the water quality with regard to the various types of pollutants were proposed, including treating polluted water, maintaining materials, and personnel reserves.

Assessing the Influence of Human Activities on Global Water Resources Using an Advanced Land Surface Model

NASA Astrophysics Data System (ADS)

Pokhrel, Y.; Hanasaki, N.; Koirala, S.; Kanae, S.; Oki, T.

2010-12-01

In order to examine the impact of human intervention on the global hydrological cycle, a Land Surface Model was enhanced with schemes to assess the anthropogenic disturbance on the natural water flow at the global scale. Four different schemes namely; reservoir operation, crop growth, environmental flow, and anthropogenic water withdrawal modules from a state-of-the-art global water resources assessment model called H08 were integrated into an offline version of LSM, Minimal Advance Treatment of Surface Interaction and Runoff (MATSIRO). MATSIRO represents majority of the hydrological processes of water and energy exchange between the land surface and the atmosphere on a physical basis and is designed to be coupled with GCM. The integrated model presented here thus has the capability to simulate both natural and anthropogenic flows of water globally at a spatial resolution of 1°x1°, considering dam operation, domestic, industrial and agricultural water withdrawals and environmental flow requirements. The model can also be coupled with climate models to assess the impact of human activities on the climate system. A simple groundwater scheme was also incorporated and the model can be used to assess the change in water table due to groundwater pumping for irrigation. The model was validated by comparing simulated soil moisture, river discharge and Terrestrial Water Storage Anomaly (TWSA) with observations. The model performs well in simulating TWSA as compared to GRACE observation in different river basins ranging from very wet to very dry. Soil moisture cannot be validated globally because of the lack of validation datasets. For Illinois region, where long term soil moisture observations are available, the model captures the seasonal variation quite well. The simulated global potential irrigation demand is about 1100km3/year, which is within the range of previously published estimates based on various water balance models and LSMs. The model has an advanced option to limit water withdrawal from river channels based on water availability and environmental flow requirements. Results showed that about three-fourth of the irrigation demand can be met from surface-water (rivers, small and medium-sized reservoirs). Therefore, one-fourth of the demand must have been supplied by groundwater. Further analysis of modeled groundwater pumping for irrigation is needed to examine the extent of groundwater withdrawal and its impact on water table fluctuations.

WATSFAR: numerical simulation of soil WATer and Solute fluxes using a FAst and Robust method

NASA Astrophysics Data System (ADS)

Crevoisier, David; Voltz, Marc

2013-04-01

To simulate the evolution of hydro- and agro-systems, numerous spatialised models are based on a multi-local approach and improvement of simulation accuracy by data-assimilation techniques are now used in many application field. The latest acquisition techniques provide a large amount of experimental data, which increase the efficiency of parameters estimation and inverse modelling approaches. In turn simulations are often run on large temporal and spatial domains which requires a large number of model runs. Eventually, despite the regular increase in computing capacities, the development of fast and robust methods describing the evolution of saturated-unsaturated soil water and solute fluxes is still a challenge. Ross (2003, Agron J; 95:1352-1361) proposed a method, solving 1D Richards' and convection-diffusion equation, that fulfil these characteristics. The method is based on a non iterative approach which reduces the numerical divergence risks and allows the use of coarser spatial and temporal discretisations, while assuring a satisfying accuracy of the results. Crevoisier et al. (2009, Adv Wat Res; 32:936-947) proposed some technical improvements and validated this method on a wider range of agro- pedo- climatic situations. In this poster, we present the simulation code WATSFAR which generalises the Ross method to other mathematical representations of soil water retention curve (i.e. standard and modified van Genuchten model) and includes a dual permeability context (preferential fluxes) for both water and solute transfers. The situations tested are those known to be the less favourable when using standard numerical methods: fine textured and extremely dry soils, intense rainfall and solute fluxes, soils near saturation, ... The results of WATSFAR have been compared with the standard finite element model Hydrus. The analysis of these comparisons highlights two main advantages for WATSFAR, i) robustness: even on fine textured soil or high water and solute fluxes - where Hydrus simulations may fail to converge - no numerical problem appears, and ii) accuracy of simulations even for loose spatial domain discretisations, which can only be obtained by Hydrus with fine discretisations.

Development and deployment of a water-crop-nutrient simulation model embedded in a web application

NASA Astrophysics Data System (ADS)

Langella, Giuliano; Basile, Angelo; Coppola, Antonio; Manna, Piero; Orefice, Nadia; Terribile, Fabio

2016-04-01

It is long time by now that scientific research on environmental and agricultural issues spent large effort in the development and application of models for prediction and simulation in spatial and temporal domains. This is fulfilled by studying and observing natural processes (e.g. rainfall, water and chemicals transport in soils, crop growth) whose spatiotemporal behavior can be reproduced for instance to predict irrigation and fertilizer requirements and yield quantities/qualities. In this work a mechanistic model to simulate water flow and solute transport in the soil-plant-atmosphere continuum is presented. This desktop computer program was written according to the specific requirement of developing web applications. The model is capable to solve the following issues all together: (a) water balance and (b) solute transport; (c) crop modelling; (d) GIS-interoperability; (e) embedability in web-based geospatial Decision Support Systems (DSS); (f) adaptability at different scales of application; and (g) ease of code modification. We maintained the desktop characteristic in order to further develop (e.g. integrate novel features) and run the key program modules for testing and validation purporses, but we also developed a middleware component to allow the model run the simulations directly over the web, without software to be installed. The GIS capabilities allows the web application to make simulations in a user-defined region of interest (delimited over a geographical map) without the need to specify the proper combination of model parameters. It is possible since the geospatial database collects information on pedology, climate, crop parameters and soil hydraulic characteristics. Pedological attributes include the spatial distribution of key soil data such as soil profile horizons and texture. Further, hydrological parameters are selected according to the knowledge about the spatial distribution of soils. The availability and definition in the geospatial domain of these attributes allow the simulation outputs at a different spatial scale. Two different applications were implemented using the same framework but with different configurations of the software pieces making the physically based modelling chain: an irrigation tool simulating water requirements and their dates and a fertilization tool for optimizing in particular mineral nitrogen adds.

Model-based dose calculations for COMS eye plaque brachytherapy using an anatomically realistic eye phantom

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lesperance, Marielle; Inglis-Whalen, M.; Thomson, R. M., E-mail: rthomson@physics.carleton.ca

Purpose : To investigate the effects of the composition and geometry of ocular media and tissues surrounding the eye on dose distributions for COMS eye plaque brachytherapy with{sup 125}I, {sup 103}Pd, or {sup 131}Cs seeds, and to investigate doses to ocular structures. Methods : An anatomically and compositionally realistic voxelized eye model with a medial tumor is developed based on a literature review. Mass energy absorption and attenuation coefficients for ocular media are calculated. Radiation transport and dose deposition are simulated using the EGSnrc Monte Carlo user-code BrachyDose for a fully loaded COMS eye plaque within a water phantom andmore » our full eye model for the three radionuclides. A TG-43 simulation with the same seed configuration in a water phantom neglecting the plaque and interseed effects is also performed. The impact on dose distributions of varying tumor position, as well as tumor and surrounding tissue media is investigated. Each simulation and radionuclide is compared using isodose contours, dose volume histograms for the lens and tumor, maximum, minimum, and average doses to structures of interest, and doses to voxels of interest within the eye. Results : Mass energy absorption and attenuation coefficients of the ocular media differ from those of water by as much as 12% within the 20–30 keV photon energy range. For all radionuclides studied, average doses to the tumor and lens regions in the full eye model differ from those for the plaque in water by 8%–10% and 13%–14%, respectively; the average doses to the tumor and lens regions differ between the full eye model and the TG-43 simulation by 2%–17% and 29%–34%, respectively. Replacing the surrounding tissues in the eye model with water increases the maximum and average doses to the lens by 2% and 3%, respectively. Substituting the tumor medium in the eye model for water, soft tissue, or an alternate melanoma composition affects tumor dose compared to the default eye model simulation by up to 16%. In the full eye model simulations, the average dose to the lens is larger by 7%–9% than the dose to the center of the lens, and the maximum dose to the optic nerve is 17%–22% higher than the dose to the optic disk for all radionuclides. In general, when normalized to the same prescription dose at the tumor apex, doses delivered to all structures of interest in the full eye model are lowest for{sup 103}Pd and highest for {sup 131}Cs, except for the tumor where the average dose is highest for {sup 103}Pd and lowest for {sup 131}Cs. Conclusions : The eye is not radiologically water-equivalent, as doses from simulations of the plaque in the full eye model differ considerably from doses for the plaque in a water phantom and from simulated TG-43 calculated doses. This demonstrates the importance of model-based dose calculations for eye plaque brachytherapy, for which accurate elemental compositions of ocular media are necessary.« less

Different modelling approaches to evaluate nitrogen transport and turnover at the watershed scale

NASA Astrophysics Data System (ADS)

Epelde, Ane Miren; Antiguedad, Iñaki; Brito, David; Jauch, Eduardo; Neves, Ramiro; Garneau, Cyril; Sauvage, Sabine; Sánchez-Pérez, José Miguel

2016-08-01

This study presents the simulation of hydrological processes and nutrient transport and turnover processes using two integrated numerical models: Soil and Water Assessment Tool (SWAT) (Arnold et al., 1998), an empirical and semi-distributed numerical model; and Modelo Hidrodinâmico (MOHID) (Neves, 1985), a physics-based and fully distributed numerical model. This work shows that both models reproduce satisfactorily water and nitrate exportation at the watershed scale at annual and daily basis, MOHID providing slightly better results. At the watershed scale, both SWAT and MOHID simulated similarly and satisfactorily the denitrification amount. However, as MOHID numerical model was the only one able to reproduce adequately the spatial variation of the soil hydrological conditions and water table level fluctuation, it proved to be the only model able of reproducing the spatial variation of the nutrient cycling processes that are dependent to the soil hydrological conditions such as the denitrification process. This evidences the strength of the fully distributed and physics-based models to simulate the spatial variability of nutrient cycling processes that are dependent to the hydrological conditions of the soils.

Water use, ground-water recharge and availability, and quality of water in the Greenwich area, Fairfield County, Connecticut and Westchester County, New York, 2000-2002

USGS Publications Warehouse

Mullaney, John R.

2004-01-01

Ground-water budgets were developed for 32 small basin-based zones in the Greenwich area of southwestern Connecticut, where crystalline-bedrock aquifers supply private wells, to determine the status of residential ground-water consumption relative to rates of ground-water recharge and discharge. Estimated residential ground-water withdrawals for small basins (averaging 1.7 square miles (mi2)) ranged from 0 to 0.16 million gallons per day per square mile (Mgal/d/mi2). To develop these budgets, residential ground-water withdrawals were estimated using multiple-linear regression models that relate water use from public water supply to data on residential property characteristics. Average daily water use of households with public water supply ranged from 219 to 1,082 gallons per day (gal/d). A steady-state finite-difference ground-water- flow model was developed to track water budgets, and to estimate optimal values for hydraulic conductivity of the bedrock (0.05 feet per day) and recharge to the overlying till deposits (6.9 inches) using nonlinear regression. Estimated recharge rates to the small basins ranged from 3.6 to 7.5 inches per year (in/yr) and relate to the percentage of the basin underlain by coarse- grained glacial stratified deposits. Recharge was not applied to impervious areas to account for the effects of urbanization. Net residential ground-water consumption was estimated as ground-water withdrawals increased during the growing season, and ranged from 0 to 0.9 in/yr. Long-term average stream base flows simulated by the ground-water-flow model were compared to calculated values of average base flow and low flow to determine if base flow was substantially reduced in any of the basins studied. Three of the 32 basins studied had simulated base flows less than 3 in/yr, as a result of either ground-water withdrawals or reduced recharge due to urbanization. A water-availability criteria of the difference between the 30-day 2-year low flow and the recharge rate for each basin was explored as a method to rate the status of water consumption in each basin. Water consumption ranged from 0 to 14.3 percent of available water based on this criteria for the 32 basins studied. Base-flow water quality was related to the amount of urbanized area in each basin sampled. Concentrations of total nitrogen and phosphorus, chloride, indicator bacteria, and the number of pesticide detections increased with basin urbanization, which ranged from 18 to 63 percent of basin area.

Enhancing the water management schemes of H08 global hydrological model to attribute human water use to six major water sources

NASA Astrophysics Data System (ADS)

Hanasaki, N.; Yoshikawa, S.; Pokhrel, Y. N.; Kanae, S.

2017-12-01

Humans abstract water from various sources to sustain their livelihood and society. Some global hydrological models (GHMs) include explicit schemes of human water management, but the representation and performance of these schemes remain limited. We substantially enhanced the human water management schemes of the H08 GHM by incorporating the latest data and techniques. The model enables us to estimate water abstraction from six major water sources, namely, river flow regulated by global reservoirs (i.e., reservoirs regulating the flow of the world's major rivers), aqueduct water transfer, local reservoirs, seawater desalination, renewable groundwater, and nonrenewable groundwater. All the interactions were simulated in a single computer program and the water balance was always strictly closed at any place and time during the simulation period. Using this model, we first conducted a historical global hydrological simulation at a spatial resolution of 0.5 x 0.5 degree to specify the sources of water for humanity. The results indicated that, in 2000, of the 3628 km3yr-1 global freshwater requirement, 2839 km3yr-1 was taken from surface water and 789 km3yr-1 from groundwater. Streamflow, aqueduct water transfer, local reservoirs, and seawater desalination accounted for 1786, 199, 106, and 1.8 km3yr-1 of the surface water, respectively. The remaining 747 km3yr-1 freshwater requirement was unmet, or surface water was not available when and where it was needed in our simulation. Renewable and nonrenewable groundwater accounted for 607 and 182 km3yr-1 of the groundwater total, respectively. Second, we evaluated the water stress using our simulations and contrasted it with earlier global assessments based on empirical water scarcity indicators, namely, the Withdrawal to Availability ratio and the Falkenmark index (annual renewable water resources per capita). We found that inclusion of water infrastructures in our model diminished water stress in some parts of the world, on the other hand, daily evaluation of water supply and demand highlighted the temporal/seasonal water deficit due to their variations. The enhanced model is potentially useful for quantitative understanding of the global hydrological cycles including human activities and advancement of global water resources assessment.

In the Way of Peacemaker Guide Curve between Water Supply and Flood Control for Short Term Reservoir Operation

NASA Astrophysics Data System (ADS)

Uysal, G.; Sensoy, A.; Yavuz, O.; Sorman, A. A.; Gezgin, T.

2012-04-01

Effective management of a controlled reservoir system where it involves multiple and sometimes conflicting objectives is a complex problem especially in real time operations. Yuvacık Dam Reservoir, located in the Marmara region of Turkey, is built to supply annual demand of 142 hm3 water for Kocaeli city requires such a complex management strategy since it has relatively small (51 hm3) effective capacity. On the other hand, the drainage basin is fed by both rainfall and snowmelt since the elevation ranges between 80 - 1548 m. Excessive water must be stored behind the radial gates between February and May in terms of sustainability especially for summer and autumn periods. Moreover, the downstream channel physical conditions constraint the spillway releases up to 100 m3/s although the spillway is large enough to handle major floods. Thus, this situation makes short term release decisions the challenging task. Long term water supply curves, based on historical inflows and annual water demand, are in conflict with flood regulation (control) levels, based on flood attenuation and routing curves, for this reservoir. A guide curve, that is generated using both water supply and flood control of downstream channel, generally corresponds to upper elevation of conservation pool for simulation of a reservoir. However, sometimes current operation necessitates exceeding this target elevation. Since guide curves can be developed as a function of external variables, the water potential of a basin can be an indicator to explain current conditions and decide on the further strategies. Besides, releases with respect to guide curve are managed and restricted by user-defined rules. Although the managers operate the reservoir due to several variable conditions and predictions, still the simulation model using variable guide curve is an urgent need to test alternatives quickly. To that end, using HEC-ResSim, the several variable guide curves are defined to meet the requirements by taking inflow, elevation, precipitation and snow water equivalent into consideration to propose alternative simulations as a decision support system. After that, the releases are subjected to user-defined rules. Thus, previous year reservoir simulations are compared with observed reservoir levels and releases. Hypothetical flood scenarios are tested in case of different storm event timing and sizing. Numerical weather prediction data of Mesoscale Model 5 (MM5) can be used for temperature and precipitation forecasts that will form the inputs for a hydrological model. The estimated flows can be used for real time short term decisions for reservoir simulation based on variable guide curve and user defined rules.

Geometric and energetic considerations of surface fluctuations during ion transfer across the water-immiscible organic liquid interface

NASA Astrophysics Data System (ADS)

Karnes, John J.; Benjamin, Ilan

2016-07-01

Molecular dynamics simulations and umbrella sampling free energy calculations are used to examine the thermodynamics, energetics, and structural fluctuations that accompany the transfer of a small hydrophilic ion (Cl-) across the water/nitrobenzene interface. By examining several constrained interface structures, we isolate the energetic costs of interfacial deformation and co-transfer of hydration waters during the ion transfer. The process is monitored using both energy-based solvation coordinates and a geometric coordinate recently introduced by Morita and co-workers to describe surface fluctuations. Our simulations show that these coordinates provide a complimentary description of the water surface fluctuations during the transfer and are necessary for elucidating the mechanism of the ion transfer.

Estimating the economic opportunity cost of water use with river basin simulators in a computationally efficient way

NASA Astrophysics Data System (ADS)

Rougé, Charles; Harou, Julien J.; Pulido-Velazquez, Manuel; Matrosov, Evgenii S.

2017-04-01

The marginal opportunity cost of water refers to benefits forgone by not allocating an additional unit of water to its most economically productive use at a specific location in a river basin at a specific moment in time. Estimating the opportunity cost of water is an important contribution to water management as it can be used for better water allocation or better system operation, and can suggest where future water infrastructure could be most beneficial. Opportunity costs can be estimated using 'shadow values' provided by hydro-economic optimization models. Yet, such models' use of optimization means the models had difficulty accurately representing the impact of operating rules and regulatory and institutional mechanisms on actual water allocation. In this work we use more widely available river basin simulation models to estimate opportunity costs. This has been done before by adding in the model a small quantity of water at the place and time where the opportunity cost should be computed, then running a simulation and comparing the difference in system benefits. The added system benefits per unit of water added to the system then provide an approximation of the opportunity cost. This approximation can then be used to design efficient pricing policies that provide incentives for users to reduce their water consumption. Yet, this method requires one simulation run per node and per time step, which is demanding computationally for large-scale systems and short time steps (e.g., a day or a week). Besides, opportunity cost estimates are supposed to reflect the most productive use of an additional unit of water, yet the simulation rules do not necessarily use water that way. In this work, we propose an alternative approach, which computes the opportunity cost through a double backward induction, first recursively from outlet to headwaters within the river network at each time step, then recursively backwards in time. Both backward inductions only require linear operations, and the resulting algorithm tracks the maximal benefit that can be obtained by having an additional unit of water at any node in the network and at any date in time. Results 1) can be obtained from the results of a rule-based simulation using a single post-processing run, and 2) are exactly the (gross) benefit forgone by not allocating an additional unit of water to its most productive use. The proposed method is applied to London's water resource system to track the value of storage in the city's water supply reservoirs on the Thames River throughout a weekly 85-year simulation. Results, obtained in 0.4 seconds on a single processor, reflect the environmental cost of water shortage. This fast computation allows visualizing the seasonal variations of the opportunity cost depending on reservoir levels, demonstrating the potential of this approach for exploring water values and its variations using simulation models with multiple runs (e.g. of stochastically generated plausible future river inflows).

RACORO continental boundary layer cloud investigations. 2. Large-eddy simulations of cumulus clouds and evaluation with in-situ and ground-based observations

DOE PAGES

Endo, Satoshi; Fridlind, Ann M.; Lin, Wuyin; ...

2015-06-19

A 60-hour case study of continental boundary layer cumulus clouds is examined using two large-eddy simulation (LES) models. The case is based on observations obtained during the RACORO Campaign (Routine Atmospheric Radiation Measurement [ARM] Aerial Facility [AAF] Clouds with Low Optical Water Depths [CLOWD] Optical Radiative Observations) at the ARM Climate Research Facility's Southern Great Plains site. The LES models are driven by continuous large-scale and surface forcings, and are constrained by multi-modal and temporally varying aerosol number size distribution profiles derived from aircraft observations. We compare simulated cloud macrophysical and microphysical properties with ground-based remote sensing and aircraft observations.more » The LES simulations capture the observed transitions of the evolving cumulus-topped boundary layers during the three daytime periods, and generally reproduce variations of droplet number concentration with liquid water content (LWC), corresponding to the gradient between the cloud centers and cloud edges at given heights. The observed LWC values fall within the range of simulated values; the observed droplet number concentrations are commonly higher than simulated, but differences remain on par with potential estimation errors in the aircraft measurements. Sensitivity studies examine the influences of bin microphysics versus bulk microphysics, aerosol advection, supersaturation treatment, and aerosol hygroscopicity. Simulated macrophysical cloud properties are found to be insensitive in this non-precipitating case, but microphysical properties are especially sensitive to bulk microphysics supersaturation treatment and aerosol hygroscopicity.« less

Evaluation of Approaches for Managing Nitrate Loading from On-Site Wastewater Systems near La Pine, Oregon

USGS Publications Warehouse

Morgan, David S.; Hinkle, Stephen R.; Weick, Rodney J.

2007-01-01

This report presents the results of a study by the U.S. Geological Survey, done in cooperation with the Oregon Department of Environmental Quality and Deschutes County, to develop a better understanding of the effects of nitrogen from on-site wastewater disposal systems on the quality of ground water near La Pine in southern Deschutes County and northern Klamath County, Oregon. Simulation models were used to test the conceptual understanding of the system and were coupled with optimization methods to develop the Nitrate Loading Management Model, a decision-support tool that can be used to efficiently evaluate alternative approaches for managing nitrate loading from on-site wastewater systems. The conceptual model of the system is based on geologic, hydrologic, and geochemical data collected for this study, as well as previous hydrogeologic and water quality studies and field testing of on-site wastewater systems in the area by other agencies. On-site wastewater systems are the only significant source of anthropogenic nitrogen to shallow ground water in the study area. Between 1960 and 2005 estimated nitrate loading from on-site wastewater systems increased from 3,900 to 91,000 pounds of nitrogen per year. When all remaining lots are developed (in 2019 at current building rates), nitrate loading is projected to reach nearly 150,000 pounds of nitrogen per year. Low recharge rates (2-3 inches per year) and ground-water flow velocities generally have limited the extent of nitrate occurrence to discrete plumes within 20-30 feet of the water table; however, hydraulic-gradient and age data indicate that, given sufficient time and additional loading, nitrate will migrate to depths where many domestic wells currently obtain water. In 2000, nitrate concentrations greater than 4 milligrams nitrogen per liter (mg N/L) were detected in 10 percent of domestic wells sampled by Oregon Department of Environmental Quality. Numerical simulation models were constructed at transect (2.4 square miles) and study-area (247 square miles) scales to test the conceptual model and evaluate processes controlling nitrate concentrations in ground water and potential ground-water discharge of nitrate to streams. Simulation of water-quality conditions for a projected future build-out (base) scenario in which all existing lots are developed using conventional on-site wastewater systems indicates that, at equilibrium, average nitrate concentrations near the water table will exceed 10 mg N/L over areas totaling 9,400 acres. Other scenarios were simulated where future nitrate loading was reduced using advanced treatment on-site systems and a development transfer program. Seven other scenarios were simulated with total nitrate loading reductions ranging from 15 to 94 percent; simulated reductions in the area where average nitrate concentrations near the water table exceed 10 mg N/L range from 22 to 99 percent at equilibrium. Simulations also show that the ground-water system responds slowly to changes in nitrate loading due to low recharge rates and ground-water flow velocity. Consequently, reductions in nitrate loading will not immediately reduce average nitrate concentrations and the average concentration in the aquifer will continue to increase for 25-50 years depending on the level and timing of loading reduction. The capacity of the ground-water system to receive on-site wastewater system effluent, which is related to the density of homes, presence of upgradient residential development, ground-water recharge rate, ground-water flow velocity, and thickness of the oxic part of the aquifer, varies within the study area. Optimization capability was added to the study-area simulation model and the combined simulation-optimization model was used to evaluate alternative approaches to management of nitrate loading from on-site wastewater systems to the shallow alluvial aquifer. The Nitrate Loading Management Model (NLMM) was formulated to find the minimum red

Agricultural Water Use under Global Change

NASA Astrophysics Data System (ADS)

Zhu, T.; Ringler, C.; Rosegrant, M. W.

2008-12-01

Irrigation is by far the single largest user of water in the world and is projected to remain so in the foreseeable future. Globally, irrigated agricultural land comprises less than twenty percent of total cropland but produces about forty percent of the world's food. Increasing world population will require more food and this will lead to more irrigation in many areas. As demands increase and water becomes an increasingly scarce resource, agriculture's competition for water with other economic sectors will be intensified. This water picture is expected to become even more complex as climate change will impose substantial impacts on water availability and demand, in particular for agriculture. To better understand future water demand and supply under global change, including changes in demographic, economic and technological dimensions, the water simulation module of IMPACT, a global water and food projection model developed at the International Food Policy Research Institute, is used to analyze future water demand and supply in agricultural and several non-agricultural sectors using downscaled GCM scenarios, based on water availability simulation done with a recently developed semi-distributed global hydrological model. Risk analysis is conducted to identify countries and regions where future water supply reliability for irrigation is low, and food security may be threatened in the presence of climate change. Gridded shadow values of irrigation water are derived for global cropland based on an optimization framework, and they are used to illustrate potential irrigation development by incorporating gridded water availability and existing global map of irrigation areas.

Simulation of Ground-Water Flow in the Irwin Basin Aquifer System, Fort Irwin National Training Center, California

USGS Publications Warehouse

Densmore, Jill N.

2003-01-01

Ground-water pumping in the Irwin Basin at Fort Irwin National Training Center, California resulted in water-level declines of about 30 feet from 1941 to 1996. Since 1992, artificial recharge from wastewater-effluent infiltration and irrigation-return flow has stabilized water levels, but there is concern that future water demands associated with expansion of the base may cause a resumption of water-level declines. To address these concerns, a ground-water flow model of the Irwin Basin was developed to help better understand the aquifer system, assess the long-term availability and quality of ground water, and evaluate ground-water conditions owing to current pumping and to plan for future water needs at the base. Historical data show that ground-water-level declines in the Irwin Basin between 1941 and 1996, caused the formation of a pumping depression near the pumped wells, and that recharge from the wastewater-treatment facility and disposal area caused the formation of a recharge mound. There have been two periods of water-level recovery in the Irwin Basin since the development of ground water in this basin; these periods coincide with a period of decreased pumpage from the basin and a period of increased recharge of water imported from the Bicycle Basin beginning in 1967 and from the Langford Basin beginning in 1992. Since 1992, artificial recharge has exceeded pumpage in the Irwin Basin and has stabilized water-level declines. A two-layer ground-water flow model was developed to help better understand the aquifer system, assess the long-term availability and quality of ground water, and evaluate ground-water conditions owing to current pumping and to plan for future water needs at the base. Boundary conditions, hydraulic conductivity, altitude of the bottom of the layers, vertical conductance, storage coefficient, recharge, and discharge were determined using existing geohydrologic data. Rates and distribution of recharge and discharge were determined from existing data and estimated when unavailable. Results of predictive simulations indicate that in 50 years, if artificial recharge continues to exceed pumpage in Irwin Basin, water levels could rise as much as 65 feet beneath the pumping depression, and as much as 10 feet in the wastewater-treatment facility and disposal area. Particle-tracking simulations were used to determine the pathlines and the traveltimes of water high in dissolved solids into the main pumping area. The pathlines of particles from two areas with high dissolved-solids concentrations show that in 50 years water from these areas almost reaches the nearest pumped well.

Taking a fresh look at boiling heat transfer on the road to improved nuclear economics and efficiency

DOE PAGES

Pointer, William David; Baglietto, Emilio

2016-05-01

Here, in the effort to reinvigorate innovation in the way we design, build, and operate the nuclear power generating stations of today and tomorrow, nothing can be taken for granted. Not even the seemingly familiar physics of boiling water. The Consortium for the Advanced Simulation of Light Water Reactors, or CASL, is focused on the deployment of advanced modeling and simulation capabilities to enable the nuclear industry to reduce uncertainties in the prediction of multi-physics phenomena and continue to improve the performance of today’s Light Water Reactors and their fuel. An important part of the CASL mission is the developmentmore » of a next generation thermal hydraulics simulation capability, integrating the history of engineering models based on experimental experience with the computing technology of the future.« less

Global statistics of liquid water content and effective number density of water clouds over ocean derived from combined CALIPSO and MODIS measurements

NASA Astrophysics Data System (ADS)

Hu, Y.; Vaughan, M.; McClain, C.; Behrenfeld, M.; Maring, H.; Anderson, D.; Sun-Mack, S.; Flittner, D.; Huang, J.; Wielicki, B.; Minnis, P.; Weimer, C.; Trepte, C.; Kuehn, R.

2007-03-01

This study presents an empirical relation that links layer integrated depolarization ratios, the extinction coefficients, and effective radii of water clouds, based on Monte Carlo simulations of CALIPSO lidar observations. Combined with cloud effective radius retrieved from MODIS, cloud liquid water content and effective number density of water clouds are estimated from CALIPSO lidar depolarization measurements in this study. Global statistics of the cloud liquid water content and effective number density are presented.

OpenDanubia - An integrated, modular simulation system to support regional water resource management

NASA Astrophysics Data System (ADS)

Muerth, M.; Waldmann, D.; Heinzeller, C.; Hennicker, R.; Mauser, W.

2012-04-01

The already completed, multi-disciplinary research project GLOWA-Danube has developed a regional scale, integrated modeling system, which was successfully applied on the 77,000 km2 Upper Danube basin to investigate the impact of Global Change on both the natural and anthropogenic water cycle. At the end of the last project phase, the integrated modeling system was transferred into the open source project OpenDanubia, which now provides both the core system as well as all major model components to the general public. First, this will enable decision makers from government, business and management to use OpenDanubia as a tool for proactive management of water resources in the context of global change. Secondly, the model framework to support integrated simulations and all simulation models developed for OpenDanubia in the scope of GLOWA-Danube are further available for future developments and research questions. OpenDanubia allows for the investigation of water-related scenarios considering different ecological and economic aspects to support both scientists and policy makers to design policies for sustainable environmental management. OpenDanubia is designed as a framework-based, distributed system. The model system couples spatially distributed physical and socio-economic process during run-time, taking into account their mutual influence. To simulate the potential future impacts of Global Change on agriculture, industrial production, water supply, households and tourism businesses, so-called deep actor models are implemented in OpenDanubia. All important water-related fluxes and storages in the natural environment are implemented in OpenDanubia as spatially explicit, process-based modules. This includes the land surface water and energy balance, dynamic plant water uptake, ground water recharge and flow as well as river routing and reservoirs. Although the complete system is relatively demanding on data requirements and hardware requirements, the modular structure and the generic core system (Core Framework, Actor Framework) allows the application in new regions and the selection of a reduced number of modules for simulation. As part of the Open Source Initiative in GLOWA-Danube (opendanubia.glowa-danube.de) a comprehensive documentation for the system installation was created and both the program code of the framework and of all major components is licensed under the GNU General Public License. In addition, some helpful programs and scripts necessary for the operation and processing of input and result data sets are provided.

Rivers and Floodplains as Key Components of Global Terrestrial Water Storage Variability

NASA Astrophysics Data System (ADS)

Getirana, Augusto; Kumar, Sujay; Girotto, Manuela; Rodell, Matthew

2017-10-01

This study quantifies the contribution of rivers and floodplains to terrestrial water storage (TWS) variability. We use state-of-the-art models to simulate land surface processes and river dynamics and to separate TWS into its main components. Based on a proposed impact index, we show that surface water storage (SWS) contributes 8% of TWS variability globally, but that contribution differs widely among climate zones. Changes in SWS are a principal component of TWS variability in the tropics, where major rivers flow over arid regions and at high latitudes. SWS accounts for 22-27% of TWS variability in both the Amazon and Nile Basins. Changes in SWS are negligible in the Western U.S., Northern Africa, Middle East, and central Asia. Based on comparisons with Gravity Recovery and Climate Experiment-based TWS, we conclude that accounting for SWS improves simulated TWS in most of South America, Africa, and Southern Asia, confirming that SWS is a key component of TWS variability.

Numerical simulation of supersonic water vapor jet impinging on a flat plate

NASA Astrophysics Data System (ADS)

Kuzuu, Kazuto; Aono, Junya; Shima, Eiji

2012-11-01

We investigated supersonic water vapor jet impinging on a flat plate through numerical simulation. This simulation is for estimating heating effect of a reusable sounding rocket during vertical landing. The jet from the rocket bottom is supersonic, M=2 to 3, high temperature, T=2000K, and over-expanded. Atmospheric condition is a stationary standard air. The simulation is base on the full Navier-Stokes equations, and the flow is numerically solved by an unstructured compressible flow solver, in-house code LS-FLOW-RG. In this solver, the transport properties of muti-species gas and mass conservation equations of those species are considered. We employed DDES method as a turbulence model. For verification and validation, we also carried out a simulation under the condition of air, and compared with the experimental data. Agreement between our results and the experimental data are satisfactory. Through this simulation, we calculated the flow under some exit pressure conditions, and discuss the effects of pressure ratio on flow structures, heat transfer and so on. Furthermore, we also investigated diffusion effects of water vapor, and we confirmed that these phenomena are generated by the interaction of atmospheric air and affects the heat transfer to the surrounding environment.

Integrated modeling approach using SELECT and SWAT models to simulate source loading and in-stream conditions of fecal indicator bacteria.

NASA Astrophysics Data System (ADS)

Ranatunga, T.

2016-12-01

Modeling of fate and transport of fecal bacteria in a watershed is generally a processed based approach that considers releases from manure, point sources, and septic systems. Overland transport with water and sediments, infiltration into soils, transport in the vadose zone and groundwater, die-off and growth processes, and in-stream transport are considered as the other major processes in bacteria simulation. This presentation will discuss a simulation of fecal indicator bacteria (E.coli) source loading and in-stream conditions of a non-tidal watershed (Cedar Bayou Watershed) in South Central Texas using two models; Spatially Explicit Load Enrichment Calculation Tool (SELECT) and Soil and Water Assessment Tool (SWAT). Furthermore, it will discuss a probable approach of bacteria source load reduction in order to meet the water quality standards in the streams. The selected watershed is listed as having levels of fecal indicator bacteria that posed a risk for contact recreation and wading by the Texas Commission of Environmental Quality (TCEQ). The SELECT modeling approach was used in estimating the bacteria source loading from land categories. Major bacteria sources considered were, failing septic systems, discharges from wastewater treatment facilities, excreta from livestock (Cattle, Horses, Sheep and Goat), excreta from Wildlife (Feral Hogs, and Deer), Pet waste (mainly from Dogs), and runoff from urban surfaces. The estimated source loads were input to the SWAT model in order to simulate the transport through the land and in-stream conditions. The calibrated SWAT model was then used to estimate the indicator bacteria in-stream concentrations for future years based on H-GAC's regional land use, population and household projections (up to 2040). Based on the in-stream reductions required to meet the water quality standards, the corresponding required source load reductions were estimated.

Application of SELECT and SWAT models to simulate source load, fate, and transport of fecal bacteria in watersheds.

NASA Astrophysics Data System (ADS)

Ranatunga, T.

2017-12-01

Modeling of fate and transport of fecal bacteria in a watershed is a processed based approach that considers releases from manure, point sources, and septic systems. Overland transport with water and sediments, infiltration into soils, transport in the vadose zone and groundwater, die-off and growth processes, and in-stream transport are considered as the other major processes in bacteria simulation. This presentation will discuss a simulation of fecal indicator bacteria source loading and in-stream conditions of a non-tidal watershed (Cedar Bayou Watershed) in South Central Texas using two models; Spatially Explicit Load Enrichment Calculation Tool (SELECT) and Soil and Water Assessment Tool (SWAT). Furthermore, it will discuss a probable approach of bacteria source load reduction in order to meet the water quality standards in the streams. The selected watershed is listed as having levels of fecal indicator bacteria that posed a risk for contact recreation and wading by the Texas Commission of Environmental Quality (TCEQ). The SELECT modeling approach was used in estimating the bacteria source loading from land categories. Major bacteria sources considered were, failing septic systems, discharges from wastewater treatment facilities, excreta from livestock (Cattle, Horses, Sheep and Goat), excreta from Wildlife (Feral Hogs, and Deer), Pet waste (mainly from Dogs), and runoff from urban surfaces. The estimated source loads from SELECT model were input to the SWAT model, and simulate the bacteria transport through the land and in-stream. The calibrated SWAT model was then used to estimate the indicator bacteria in-stream concentrations for future years based on regional land use, population and household forecast (up to 2040). Based on the reductions required to meet the water quality standards in-stream, the corresponding required source load reductions were estimated.

Water Quality Modeling in the Dead End Sections of Drinking ...

EPA Pesticide Factsheets

Dead-end sections of drinking water distribution networks are known to be problematic zones in terms of water quality degradation. Extended residence time due to water stagnation leads to rapid reduction of disinfectant residuals allowing the regrowth of microbial pathogens. Water quality models developed so far apply spatial aggregation and temporal averaging techniques for hydraulic parameters by assigning hourly averaged water demands to the main nodes of the network. Although this practice has generally resulted in minimal loss of accuracy for the predicted disinfectant concentrations in main water transmission lines, this is not the case for the peripheries of a distribution network. This study proposes a new approach for simulating disinfectant residuals in dead end pipes while accounting for both spatial and temporal variability in hydraulic and transport parameters. A stochastic demand generator was developed to represent residential water pulses based on a non-homogenous Poisson process. Dispersive solute transport was considered using highly dynamic dispersion rates. A genetic algorithm was used to calibrate the axial hydraulic profile of the dead-end pipe based on the different demand shares of the withdrawal nodes. A parametric sensitivity analysis was done to assess the model performance under variation of different simulation parameters. A group of Monte-Carlo ensembles was carried out to investigate the influence of spatial and temporal variations

Hydrological research in Ethiopia

NASA Astrophysics Data System (ADS)

Gebremichael, M.

2012-12-01

Almost all major development problems in Ethiopia are water-related: food insecurity, low economic development, recurrent droughts, disastrous floods, poor health conditions, and low energy condition. In order to develop and manage existing water resources in a sustainable manner, knowledge is required about water availability, water quality, water demand in various sectors, and the impacts of water resource projects on health and the environment. The lack of ground-based data has been a major challenge for generating this knowledge. Current advances in remote sensing and computer simulation technology could provide alternative source of datasets. In this talk, I will present the challenges and opportunities in using remote sensing datasets and hydrological models in regions such as Africa where ground-based datasets are scarce.

Using Grand Canonical Monte Carlo Simulations to Understand the Role of Interfacial Fluctuations on Solvation at the Water-Vapor Interface.

PubMed

Rane, Kaustubh; van der Vegt, Nico F A

2016-09-15

The present work investigates the effect of interfacial fluctuations (predominantly capillary wave-like fluctuations) on the solvation free energy (Δμ) of a monatomic solute at the water-vapor interface. We introduce a grand-canonical-ensemble-based simulation approach that quantifies the contribution of interfacial fluctuations to Δμ. This approach is used to understand how the above contribution depends on the strength of dispersive and electrostatic solute-water interactions at the temperature of 400 K. At this temperature, we observe that interfacial fluctuations do play a role in the variation of Δμ with the strength of the electrostatic solute-water interaction. We also use grand canonical simulations to further investigate how interfacial fluctuations affect the propensity of the solute toward the water-vapor interface. To this end, we track a quantity called the interface potential (surface excess free energy) with the number of water molecules. With increasing number of water molecules, the liquid-vapor interface moves across a solute, which is kept at a fixed position in the simulation. Hence, the dependence of the interface potential on the number of waters models the process of moving the solute through the water-vapor interface. We analyze the change of the interface potential with the number of water molecules to explain that solute-induced changes in the interfacial fluctuations, like the pinning of capillary-wave-like undulations, do not play any role in the propensity of solutes toward water-vapor interfaces. The above analysis also shows that the dampening of interfacial fluctuations accompanies the adsorption of any solute at the liquid-vapor interface, irrespective of the chemical nature of the solute and solvent. However, such a correlation does not imply that dampening of fluctuations causes adsorption.

Energy saving potential of a two-pipe system for simultaneous heating and cooling of office buildings

DOE PAGES

Maccarini, Alessandro; Wetter, Michael; Afshari, Alireza; ...

2016-10-31

This paper analyzes the performance of a novel two-pipe system that operates one water loop to simultaneously provide space heating and cooling with a water supply temperature of around 22 °C. To analyze the energy performance of the system, a simulation-based research was conducted. The two-pipe system was modelled using the equation-based Modelica modeling language in Dymola. A typical office building model was considered as the case study. Simulations were run for two construction sets of the building envelope and two conditions related to inter-zone air flows. To calculate energy savings, a conventional four-pipe system was modelled and used formore » comparison. The conventional system presented two separated water loops for heating and cooling with supply temperatures of 45 °C and 14 °C, respectively. Simulation results showed that the two-pipe system was able to use less energy than the four-pipe system thanks to three effects: useful heat transfer from warm to cold zones, higher free cooling potential and higher efficiency of the heat pump. In particular, the two-pipe system used approximately between 12% and 18% less total annual primary energy than the four-pipe system, depending on the simulation case considered.« less

Energy saving potential of a two-pipe system for simultaneous heating and cooling of office buildings

DOE Office of Scientific and Technical Information (OSTI.GOV)

Maccarini, Alessandro; Wetter, Michael; Afshari, Alireza

This paper analyzes the performance of a novel two-pipe system that operates one water loop to simultaneously provide space heating and cooling with a water supply temperature of around 22 °C. To analyze the energy performance of the system, a simulation-based research was conducted. The two-pipe system was modelled using the equation-based Modelica modeling language in Dymola. A typical office building model was considered as the case study. Simulations were run for two construction sets of the building envelope and two conditions related to inter-zone air flows. To calculate energy savings, a conventional four-pipe system was modelled and used formore » comparison. The conventional system presented two separated water loops for heating and cooling with supply temperatures of 45 °C and 14 °C, respectively. Simulation results showed that the two-pipe system was able to use less energy than the four-pipe system thanks to three effects: useful heat transfer from warm to cold zones, higher free cooling potential and higher efficiency of the heat pump. In particular, the two-pipe system used approximately between 12% and 18% less total annual primary energy than the four-pipe system, depending on the simulation case considered.« less

Molecular Dynamics based on a Generalized Born solvation model: application to protein folding

NASA Astrophysics Data System (ADS)

Onufriev, Alexey

2004-03-01

An accurate description of the aqueous environment is essential for realistic biomolecular simulations, but may become very expensive computationally. We have developed a version of the Generalized Born model suitable for describing large conformational changes in macromolecules. The model represents the solvent implicitly as continuum with the dielectric properties of water, and include charge screening effects of salt. The computational cost associated with the use of this model in Molecular Dynamics simulations is generally considerably smaller than the cost of representing water explicitly. Also, compared to traditional Molecular Dynamics simulations based on explicit water representation, conformational changes occur much faster in implicit solvation environment due to the absence of viscosity. The combined speed-up allow one to probe conformational changes that occur on much longer effective time-scales. We apply the model to folding of a 46-residue three helix bundle protein (residues 10-55 of protein A, PDB ID 1BDD). Starting from an unfolded structure at 450 K, the protein folds to the lowest energy state in 6 ns of simulation time, which takes about a day on a 16 processor SGI machine. The predicted structure differs from the native one by 2.4 A (backbone RMSD). Analysis of the structures seen on the folding pathway reveals details of the folding process unavailable form experiment.

Development of a Precipitation-Runoff Model to Simulate Unregulated Streamflow in the Salmon Creek Basin, Okanogan County, Washington

USGS Publications Warehouse

van Heeswijk, Marijke

2006-01-01

Surface water has been diverted from the Salmon Creek Basin for irrigation purposes since the early 1900s, when the Bureau of Reclamation built the Okanogan Project. Spring snowmelt runoff is stored in two reservoirs, Conconully Reservoir and Salmon Lake Reservoir, and gradually released during the growing season. As a result of the out-of-basin streamflow diversions, the lower 4.3 miles of Salmon Creek typically has been a dry creek bed for almost 100 years, except during the spring snowmelt season during years of high runoff. To continue meeting the water needs of irrigators but also leave water in lower Salmon Creek for fish passage and to help restore the natural ecosystem, changes are being considered in how the Okanogan Project is operated. This report documents development of a precipitation-runoff model for the Salmon Creek Basin that can be used to simulate daily unregulated streamflows. The precipitation-runoff model is a component of a Decision Support System (DSS) that includes a water-operations model the Bureau of Reclamation plans to develop to study the water resources of the Salmon Creek Basin. The DSS will be similar to the DSS that the Bureau of Reclamation and the U.S. Geological Survey developed previously for the Yakima River Basin in central southern Washington. The precipitation-runoff model was calibrated for water years 1950-89 and tested for water years 1990-96. The model was used to simulate daily streamflows that were aggregated on a monthly basis and calibrated against historical monthly streamflows for Salmon Creek at Conconully Dam. Additional calibration data were provided by the snowpack water-equivalent record for a SNOTEL station in the basin. Model input time series of daily precipitation and minimum and maximum air temperatures were based on data from climate stations in the study area. Historical records of unregulated streamflow for Salmon Creek at Conconully Dam do not exist for water years 1950-96. Instead, estimates of historical monthly mean unregulated streamflow based on reservoir outflows and storage changes were used as a surrogate for the missing data and to calibrate and test the model. The estimated unregulated streamflows were corrected for evaporative losses from Conconully Reservoir (about 1 ft3/s) and ground-water losses from the basin (about 2 ft3/s). The total of the corrections was about 9 percent of the mean uncorrected streamflow of 32.2 ft3/s (23,300 acre-ft/yr) for water years 1949-96. For the calibration period, the basinwide mean annual evapotranspiration was simulated to be 19.1 inches, or about 83 percent of the mean annual precipitation of 23.1 inches. Model calibration and testing indicated that the daily streamflows simulated using the precipitation-runoff model should be used only to analyze historical and forecasted annual mean and April-July mean streamflows for Salmon Creek at Conconully Dam. Because of the paucity of model input data and uncertainty in the estimated unregulated streamflows, the model is not adequately calibrated and tested to estimate monthly mean streamflows for individual months, such as during low-flow periods, or for shorter periods such as during peak flows. No data were available to test the accuracy of simulated streamflows for lower Salmon Creek. As a result, simulated streamflows for lower Salmon Creek should be used with caution. For the calibration period (water years 1950-89), both the simulated mean annual streamflow and the simulated mean April-July streamflow compared well with the estimated uncorrected unregulated streamflow (UUS) and corrected unregulated streamflow (CUS). The simulated mean annual streamflow exceeded UUS by 5.9 percent and was less than CUS by 2.7 percent. Similarly, the simulated mean April-July streamflow exceeded UUS by 1.8 percent and was less than CUS by 3.1 percent. However, streamflow was significantly undersimulated during the low-flow, baseflow-dominated months of November through F

Temporal Downscaling of Crop Coefficient and Crop Water Requirement from Growing Stage to Substage Scales

PubMed Central

Shang, Songhao

2012-01-01

Crop water requirement is essential for agricultural water management, which is usually available for crop growing stages. However, crop water requirement values of monthly or weekly scales are more useful for water management. A method was proposed to downscale crop coefficient and water requirement from growing stage to substage scales, which is based on the interpolation of accumulated crop and reference evapotranspiration calculated from their values in growing stages. The proposed method was compared with two straightforward methods, that is, direct interpolation of crop evapotranspiration and crop coefficient by assuming that stage average values occurred in the middle of the stage. These methods were tested with a simulated daily crop evapotranspiration series. Results indicate that the proposed method is more reliable, showing that the downscaled crop evapotranspiration series is very close to the simulated ones. PMID:22619572

Simulations and field observations of root water uptake in plots with different soil water availability.

NASA Astrophysics Data System (ADS)

Cai, Gaochao; Vanderborght, Jan; Couvreur, Valentin; Javaux, Mathieu; Vereecken, Harry

2015-04-01

Root water uptake is a main process in the hydrological cycle and vital for water management in agronomy. In most models of root water uptake, the spatial and temporal soil water status and plant root distributions are required for water flow simulations. However, dynamic root growth and root distributions are not easy and time consuming to measure by normal approaches. Furthermore, root water uptake cannot be measured directly in the field. Therefore, it is necessary to incorporate monitoring data of soil water content and potential and root distributions within a modeling framework to explore the interaction between soil water availability and root water uptake. But, most models are lacking a physically based concept to describe water uptake from soil profiles with vertical variations in soil water availability. In this contribution, we present an experimental setup in which root development, soil water content and soil water potential are monitored non-invasively in two field plots with different soil texture and for three treatments with different soil water availability: natural rain, sheltered and irrigated treatment. Root development is monitored using 7-m long horizontally installed minirhizotubes at six depths with three replicates per treatment. The monitoring data are interpreted using a model that is a one-dimensional upscaled version of root water uptake model that describes flow in the coupled soil-root architecture considering water potential gradients in the system and hydraulic conductances of the soil and root system (Couvreur et al., 2012). This model approach links the total root water uptake to an effective soil water potential in the root zone. The local root water uptake is a function of the difference between the local soil water potential and effective root zone water potential so that compensatory uptake in heterogeneous soil water potential profiles is simulated. The root system conductance is derived from inverse modelling using measurements of soil water potentials, water contents, and root distributions. The results showed that this modelling approach reproduced soil water dynamics well in the different plots and treatments. Root water uptake reduced when the effective soil water potential decreased to around -70 to -100 kPa in the root zone. Couvreur, V., Vanderborght, J., and Javaux, M.: A simple three dimensional macroscopic root water uptake model based on the hydraulic architecture approach, Hydrol. Earth Syst. Sci., 16, 2957-2971, doi:10.5194/hess-16-2957-2012, 2012.

Numerical simulation of transient temperature profiles for canned apple puree in semi-rigid aluminum based packaging during pasteurization.

PubMed

Shafiekhani, Soraya; Zamindar, Nafiseh; Hojatoleslami, Mohammad; Toghraie, Davood

2016-06-01

Pasteurization of canned apple puree was simulated for a 3-D geometry in a semi-rigid aluminum based container which was heated from all sides at 378 K. The computational fluid dynamics code Ansys Fluent 14.0 was used and the governing equations for energy, momentum, and continuity were computed using a finite volume method. The food model was assumed to have temperature-dependent properties. To validate the simulation, the apple puree was pasteurized in a water cascading retort. The effect of the mesh structures was studied for the temperature profiles during thermal processing. The experimental temperature in the slowest heating zone in the container was compared with the temperature predicted by the model and the difference was not significant. The study also investigated the impact of head space (water-vapor) on heat transfer.

Final Technical Report for DOE Award SC0006616

DOE Office of Scientific and Technical Information (OSTI.GOV)

Robertson, Andrew

2015-08-01

This report summarizes research carried out by the project "Collaborative Research, Type 1: Decadal Prediction and Stochastic Simulation of Hydroclimate Over Monsoonal Asia. This collaborative project brought together climate dynamicists (UCLA, IRI), dendroclimatologists (LDEO Tree Ring Laboratory), computer scientists (UCI), and hydrologists (Columbia Water Center, CWC), together with applied scientists in climate risk management (IRI) to create new scientific approaches to quantify and exploit the role of climate variability and change in the growing water crisis across southern and eastern Asia. This project developed new tree-ring based streamflow reconstructions for rivers in monsoonal Asia; improved understanding of hydrologic spatio-temporal modesmore » of variability over monsoonal Asia on interannual-to-centennial time scales; assessed decadal predictability of hydrologic spatio-temporal modes; developed stochastic simulation tools for creating downscaled future climate scenarios based on historical/proxy data and GCM climate change; and developed stochastic reservoir simulation and optimization for scheduling hydropower, irrigation and navigation releases.« less

Computing the Absorption and Emission Spectra of 5-Methylcytidine in Different Solvents: A Test-Case for Different Solvation Models.

PubMed

Martínez-Fernández, L; Pepino, A J; Segarra-Martí, J; Banyasz, A; Garavelli, M; Improta, R

2016-09-13

The optical spectra of 5-methylcytidine in three different solvents (tetrahydrofuran, acetonitrile, and water) is measured, showing that both the absorption and the emission maximum in water are significantly blue-shifted (0.08 eV). The absorption spectra are simulated based on CAM-B3LYP/TD-DFT calculations but including solvent effects with three different approaches: (i) a hybrid implicit/explicit full quantum mechanical approach, (ii) a mixed QM/MM static approach, and (iii) a QM/MM method exploiting the structures issuing from molecular dynamics classical simulations. Ab-initio Molecular dynamics simulations based on CAM-B3LYP functionals have also been performed. The adopted approaches all reproduce the main features of the experimental spectra, giving insights on the chemical-physical effects responsible for the solvent shifts in the spectra of 5-methylcytidine and providing the basis for discussing advantages and limitations of the adopted solvation models.

Large-scale atomistic and quantum-mechanical simulations of a Nafion membrane: Morphology, proton solvation and charge transport.

PubMed

Komarov, Pavel V; Khalatur, Pavel G; Khokhlov, Alexei R

2013-01-01

Atomistic and first-principles molecular dynamics simulations are employed to investigate the structure formation in a hydrated Nafion membrane and the solvation and transport of protons in the water channel of the membrane. For the water/Nafion systems containing more than 4 million atoms, it is found that the observed microphase-segregated morphology can be classified as bicontinuous: both majority (hydrophobic) and minority (hydrophilic) subphases are 3D continuous and organized in an irregular ordered pattern, which is largely similar to that known for a bicontinuous double-diamond structure. The characteristic size of the connected hydrophilic channels is about 25-50 Å, depending on the water content. A thermodynamic decomposition of the potential of mean force and the calculated spectral densities of the hindered translational motions of cations reveal that ion association observed with decreasing temperature is largely an entropic effect related to the loss of low-frequency modes. Based on the results from the atomistic simulation of the morphology of Nafion, we developed a realistic model of ion-conducting hydrophilic channel within the Nafion membrane and studied it with quantum molecular dynamics. The extensive 120 ps-long density functional theory (DFT)-based simulations of charge migration in the 1200-atom model of the nanochannel consisting of Nafion chains and water molecules allowed us to observe the bimodality of the van Hove autocorrelation function, which provides the direct evidence of the Grotthuss bond-exchange (hopping) mechanism as a significant contributor to the proton conductivity.

Evaluation of protein-protein docking model structures using all-atom molecular dynamics simulations combined with the solution theory in the energy representation

NASA Astrophysics Data System (ADS)

Takemura, Kazuhiro; Guo, Hao; Sakuraba, Shun; Matubayasi, Nobuyuki; Kitao, Akio

2012-12-01

We propose a method to evaluate binding free energy differences among distinct protein-protein complex model structures through all-atom molecular dynamics simulations in explicit water using the solution theory in the energy representation. Complex model structures are generated from a pair of monomeric structures using the rigid-body docking program ZDOCK. After structure refinement by side chain optimization and all-atom molecular dynamics simulations in explicit water, complex models are evaluated based on the sum of their conformational and solvation free energies, the latter calculated from the energy distribution functions obtained from relatively short molecular dynamics simulations of the complex in water and of pure water based on the solution theory in the energy representation. We examined protein-protein complex model structures of two protein-protein complex systems, bovine trypsin/CMTI-1 squash inhibitor (PDB ID: 1PPE) and RNase SA/barstar (PDB ID: 1AY7), for which both complex and monomer structures were determined experimentally. For each system, we calculated the energies for the crystal complex structure and twelve generated model structures including the model most similar to the crystal structure and very different from it. In both systems, the sum of the conformational and solvation free energies tended to be lower for the structure similar to the crystal. We concluded that our energy calculation method is useful for selecting low energy complex models similar to the crystal structure from among a set of generated models.

Evaluation of protein-protein docking model structures using all-atom molecular dynamics simulations combined with the solution theory in the energy representation.

PubMed

Takemura, Kazuhiro; Guo, Hao; Sakuraba, Shun; Matubayasi, Nobuyuki; Kitao, Akio

2012-12-07

We propose a method to evaluate binding free energy differences among distinct protein-protein complex model structures through all-atom molecular dynamics simulations in explicit water using the solution theory in the energy representation. Complex model structures are generated from a pair of monomeric structures using the rigid-body docking program ZDOCK. After structure refinement by side chain optimization and all-atom molecular dynamics simulations in explicit water, complex models are evaluated based on the sum of their conformational and solvation free energies, the latter calculated from the energy distribution functions obtained from relatively short molecular dynamics simulations of the complex in water and of pure water based on the solution theory in the energy representation. We examined protein-protein complex model structures of two protein-protein complex systems, bovine trypsin/CMTI-1 squash inhibitor (PDB ID: 1PPE) and RNase SA/barstar (PDB ID: 1AY7), for which both complex and monomer structures were determined experimentally. For each system, we calculated the energies for the crystal complex structure and twelve generated model structures including the model most similar to the crystal structure and very different from it. In both systems, the sum of the conformational and solvation free energies tended to be lower for the structure similar to the crystal. We concluded that our energy calculation method is useful for selecting low energy complex models similar to the crystal structure from among a set of generated models.

Computer program for simulation of variable recharge with the U. S. Geological Survey modular finite-difference ground-water flow model (MODFLOW)

USGS Publications Warehouse

Kontis, A.L.

2001-01-01

The Variable-Recharge Package is a computerized method designed for use with the U.S. Geological Survey three-dimensional finitedifference ground-water flow model (MODFLOW-88) to simulate areal recharge to an aquifer. It is suitable for simulations of aquifers in which the relation between ground-water levels and land surface can affect the amount and distribution of recharge. The method is based on the premise that recharge to an aquifer cannot occur where the water level is at or above land surface. Consequently, recharge will vary spatially in simulations in which the Variable- Recharge Package is applied, if the water levels are sufficiently high. The input data required by the program for each model cell that can potentially receive recharge includes the average land-surface elevation and a quantity termed ?water available for recharge,? which is equal to precipitation minus evapotranspiration. The Variable-Recharge Package also can be used to simulate recharge to a valley-fill aquifer in which the valley fill and the adjoining uplands are explicitly simulated. Valley-fill aquifers, which are the most common type of aquifer in the glaciated northeastern United States, receive much of their recharge from upland sources as channeled and(or) unchanneled surface runoff and as lateral ground-water flow. Surface runoff in the uplands is generated in the model when the applied water available for recharge is rejected because simulated water levels are at or above land surface. The surface runoff can be distributed to other parts of the model by (1) applying the amount of the surface runoff that flows to upland streams (channeled runoff) to explicitly simulated streams that flow onto the valley floor, and(or) (2) applying the amount that flows downslope toward the valley- fill aquifer (unchanneled runoff) to specified model cells, typically those near the valley wall. An example model of an idealized valley- fill aquifer is presented to demonstrate application of the method and the type of information that can be derived from its use. Documentation of the Variable-Recharge Package is provided in the appendixes and includes listings of model code and of program variables. Comment statements in the program listings provide a narrative of the code. Input-data instructions and printed model output for the package are included.

Water-budgets and recharge-area simulations for the Spring Creek and Nittany Creek Basins and parts of the Spruce Creek Basin, Centre and Huntingdon Counties, Pennsylvania, Water Years 2000–06

USGS Publications Warehouse

Fulton, John W.; Risser, Dennis W.; Regan, R. Steve; Walker, John F.; Hunt, Randall J.; Niswonger, Richard G.; Hoffman, Scott A.; Markstrom, Steven

2015-08-17

This report describes the results of a study by the U.S. Geological Survey in cooperation with ClearWater Conservancy and the Pennsylvania Department of Environmental Protection to develop a hydrologic model to simulate a water budget and identify areas of greater than average recharge for the Spring Creek Basin in central Pennsylvania. The model was developed to help policy makers, natural resource managers, and the public better understand and manage the water resources in the region. The Groundwater and Surface-water FLOW model (GSFLOW), which is an integration of the Precipitation-Runoff Modeling System (PRMS) and the Modular Groundwater Flow Model (MODFLOW-NWT), was used to simulate surface water and groundwater in the Spring Creek Basin for water years 2000–06. Because the groundwater and surface-water divides for the Spring Creek Basin do not coincide, the study area includes the Nittany Creek Basin and headwaters of the Spruce Creek Basin. The hydrologic model was developed by the use of a stepwise process: (1) develop and calibrate a PRMS model and steady-state MODFLOW-NWT model; (2) re-calibrate the steady-state MODFLOW-NWT model using potential recharge estimates simulated from the PRMS model, and (3) integrate the PRMS and MODFLOW-NWT models into GSFLOW. The individually calibrated PRMS and MODFLOW-NWT models were used as a starting point for the calibration of the fully coupled GSFLOW model. The GSFLOW model calibration was done by comparing observations and corresponding simulated values of streamflow from 11 streamgages and groundwater levels from 16 wells. The cumulative water budget and individual water budgets for water years 2000–06 were simulated by using GSFLOW. The largest source and sink terms are represented by precipitation and evapotranspiration, respectively. For the period simulated, a net surplus in the water budget was computed where inflows exceeded outflows by about 1.7 billion cubic feet (0.47 inches per year over the basin area); storage increased by about the same amount to balance the budget. The rate and distribution of recharge throughout the Spring Creek, Nittany Creek, and Spruce Creek Basins is variable as a result of the high degree of hydrogeologic heterogeneity and karst features. The greatest amount of recharge was simulated in the carbonate-bedrock valley, near the toe slopes of Nittany and Tussey Mountains, in the Scotia Barrens, and along the area coinciding with the Gatesburg Formation. Runoff extremes were observed for water years 2001 (dry year) and 2004 (wet year). Simulated average recharge rates (water reaching the saturated zone as defined in GSFLOW) for 2001 and 2004 were 5.4 in/yr and 22.0 in/yr, respectively. Areas where simulations show large variations in annual recharge between wet and dry years are the same areas where simulated recharge was large. Those areas where rates of groundwater recharge are much higher than average, and are capable of accepting substantially greater quantities of recharge during wet years, might be considered critical for maintaining the flow of springs, stream base flow, or the source of water to supply wells. The slopes of the Bald Eagle, Tussey, and Nittany Mountains are relatively insensitive to variations in recharge, primarily because of reduced infiltration rates and steep slopes.

Simulation of ground-water discharge to Biscayne Bay, southeastern Florida

USGS Publications Warehouse

Langevin, Christian David

2001-01-01

As part of the Place-Based Studies Program, the U.S. Geological Survey initiated a project in 1996, in cooperation with the U.S. Army Corps of Engineers, to quantify the rates and patterns of submarine ground-water discharge to Biscayne Bay. Project objectives were achieved through field investigations at three sites (Coconut Grove, Deering Estate, and Mowry Canal) along the coastline of Biscayne Bay and through the development and calibration of variable-density, ground-water flow models. Two-dimensional, vertical cross-sectional models were developed for steady-state conditions for the Coconut Grove and Deering Estate transects to quantify local-scale ground-water discharge patterns to Biscayne Bay. A larger regional-scale model was developed in three dimensions to simulate submarine ground-water discharge to the entire bay. The SEAWAT code, which is a combined version of MODFLOW and MT3D, was used to simulate the complex variable-density flow patterns. Field data suggest that ground-water discharge to Biscayne Bay relative to the shoreline is restricted to within 300 meters at Coconut Grove, 600 to 1,000 meters at Deering Estate, and 100 meters at Mowry Canal. The vertical cross-sectional models, which were calibrated to the field data using the assumption of steady state, tend to focus ground-water discharge to within 50 to 200 meters of the shoreline. With homogeneous distributions for aquifer parameters and a constant-concentration boundary for Biscayne Bay, the numerical models could not reproduce the lower ground-water salinities observed beneath the bay, which suggests that further research may be necessary to improve the accuracy of the numerical simulations. Results from the cross-sectional models, which were able to simulate the approximate position of the saltwater interface, suggest that longitudinal dispersivity ranges between 1 and 10 meters, and transverse dispersivity ranges from 0.1 to 1 meter for the Biscayne aquifer. The three-dimensional, regional-scale model was calibrated to ground-water heads, canal baseflow, and the general position of the saltwater interface for nearly a 10-year period from 1989 to 1998. The mean absolute error between observed and simulated head values is 0.15 meter. The mean absolute error between observed and simulated baseflow is 3 x 105 cubic meters per day. The position of the simulated saltwater interface generally matches the position observed in the field, except for areas north of the Miami Canal where the simulated saltwater interface is located about 5 kilometers inland of the observed saltwater interface. Results from the regional-scale model suggest that the average rate of fresh ground-water discharge to Biscayne Bay for the 10-year period (1989-98) is about 2 x 105 cubic meters per day for 100 kilometers of coastline. This simulated discharge rate is about 6 percent of the measured surface-water discharge to Biscayne Bay for the same period. The model also suggests that nearly 100 percent of the fresh ground-water discharge is to the northern half of Biscayne Bay, north of the Cutler Drain Canal. South of the Cutler Drain Canal, coastal lowlands prevent the water table from rising high enough to drive measurable quantities of ground water to Biscayne Bay. Annual variations in sea-level elevation, which can be as large as 0.3 meter, have a substantial effect on rates of ground-water discharge. During 1989-98, simulated rates of ground-water discharge to Biscayne Bay generally are highest when sea level is relatively low.

Evaluating the importance of characterizing soil structure and horizons in parameterizing a hydrologic process model

USGS Publications Warehouse

Mirus, Benjamin B.

2015-01-01

Incorporating the influence of soil structure and horizons into parameterizations of distributed surface water/groundwater models remains a challenge. Often, only a single soil unit is employed, and soil-hydraulic properties are assigned based on textural classification, without evaluating the potential impact of these simplifications. This study uses a distributed physics-based model to assess the influence of soil horizons and structure on effective parameterization. This paper tests the viability of two established and widely used hydrogeologic methods for simulating runoff and variably saturated flow through layered soils: (1) accounting for vertical heterogeneity by combining hydrostratigraphic units with contrasting hydraulic properties into homogeneous, anisotropic units and (2) use of established pedotransfer functions based on soil texture alone to estimate water retention and conductivity, without accounting for the influence of pedon structures and hysteresis. The viability of this latter method for capturing the seasonal transition from runoff-dominated to evapotranspiration-dominated regimes is also tested here. For cases tested here, event-based simulations using simplified vertical heterogeneity did not capture the state-dependent anisotropy and complex combinations of runoff generation mechanisms resulting from permeability contrasts in layered hillslopes with complex topography. Continuous simulations using pedotransfer functions that do not account for the influence of soil structure and hysteresis generally over-predicted runoff, leading to propagation of substantial water balance errors. Analysis suggests that identifying a dominant hydropedological unit provides the most acceptable simplification of subsurface layering and that modified pedotransfer functions with steeper soil-water retention curves might adequately capture the influence of soil structure and hysteresis on hydrologic response in headwater catchments.

Evaluation of Enthalpy Diagrams for NH3-H2O Absorption Refrigerator

NASA Astrophysics Data System (ADS)

Takei, Toshitaka; Saito, Kiyoshi; Kawai, Sunao

The protection of environment is becoming a grave problem nowadays and an absorption refrigerator, which does not use fleon as a refrigerant, is acquiring a close attention. Among the absorption refrigerators, a number of ammonia-water absorption refrigerators are being used in realm such as refrigeration and ice accumulation, since this type of refrigerator can produce below zero degree products. It is essential to conduct an investigation on the characteristics of ammonia-water absorption refrigerator in detail by means of computer simulation in order to realize low cost, highly efficient operation. Unfortunately, there have been number of problems in order to conduct computer simulations. Firstly, Merkel's achievements of enthalpy diagram does not give the relational equations. And secondly, although relational equation are being proposed by Ziegler, simpler equations that can be applied to computer simulation are yet to be proposed. In this research, simper equations based on Ziegler's equations have been derived to make computer simulation concerning the performance of ammonia-water absorption refrigerator possible-Both results of computer simulations using simple equations and Merkel's enthalpy diagram respectively, have been compared with the actual experimental data of one staged ammonia-water absorption refrigerator. Consequently, it is clarified that the results from Ziegler's equations agree with experimental data better than those from Merkel's enthalpy diagram.

A Data Stream Model For Runoff Simulation In A Changing Environment

NASA Astrophysics Data System (ADS)

Yang, Q.; Shao, J.; Zhang, H.; Wang, G.

2017-12-01

Runoff simulation is of great significance for water engineering design, water disaster control, water resources planning and management in a catchment or region. A large number of methods including concept-based process-driven models and statistic-based data-driven models, have been proposed and widely used in worldwide during past decades. Most existing models assume that the relationship among runoff and its impacting factors is stationary. However, in the changing environment (e.g., climate change, human disturbance), their relationship usually evolves over time. In this study, we propose a data stream model for runoff simulation in a changing environment. Specifically, the proposed model works in three steps: learning a rule set, expansion of a rule, and simulation. The first step is to initialize a rule set. When a new observation arrives, the model will check which rule covers it and then use the rule for simulation. Meanwhile, Page-Hinckley (PH) change detection test is used to monitor the online simulation error of each rule. If a change is detected, the corresponding rule is removed from the rule set. In the second step, for each rule, if it covers more than a given number of instance, the rule is expected to expand. In the third step, a simulation model of each leaf node is learnt with a perceptron without activation function, and is updated with adding a newly incoming observation. Taking Fuxi River catchment as a case study, we applied the model to simulate the monthly runoff in the catchment. Results show that abrupt change is detected in the year of 1997 by using the Page-Hinckley change detection test method, which is consistent with the historic record of flooding. In addition, the model achieves good simulation results with the RMSE of 13.326, and outperforms many established methods. The findings demonstrated that the proposed data stream model provides a promising way to simulate runoff in a changing environment.

Application of the Local Grid Refinement package to an inset model simulating the interactions of lakes, wells, and shallow groundwater, northwestern Waukesha County, Wisconsin

USGS Publications Warehouse

Feinstein, D.T.; Dunning, C.P.; Juckem, P.F.; Hunt, R.J.

2010-01-01

Groundwater use from shallow, high-capacity wells is expected to increase across southeastern Wisconsin in the next decade (2010-2020), owing to residential and business growth and the need for shallow water to be blended with deeper water of lesser quality, containing, for example, excessive levels of radium. However, this increased pumping has the potential to affect surface-water features. A previously developed regional groundwater-flow model for southeastern Wisconsin was used as the starting point for a new model to characterize the hydrology of part of northwestern Waukesha County, with a particular focus on the relation between the shallow aquifer and several area lakes. An inset MODFLOW model was embedded in an updated version of the original regional model. Modifications made within the inset model domain include finer grid resolution; representation of Beaver, Pine, and North Lakes by use of the LAK3 package in MODFLOW; and representation of selected stream reaches with the SFR package. Additionally, the inset model is actively linked to the regional model by use of the recently released Local Grid Refinement package for MODFLOW-2005, which allows changes at the regional scale to propagate to the local scale and vice versa. The calibrated inset model was used to simulate the hydrologic system in the Chenequa area under various weather and pumping conditions. The simulated model results for base conditions show that groundwater is the largest inflow component for Beaver Lake (equal to 59 percent of total inflow). For Pine and North Lakes, it is still an important component (equal, respectively, to 16 and 5 percent of total inflow), but for both lakes it is less than the contribution from precipitation and surface water. Severe drought conditions (simulated in a rough way by reducing both precipitation and recharge rates for 5 years to two-thirds of base values) cause correspondingly severe reductions in lake stage and flows. The addition of a test well south of Chenequa at a pumping rate of 47 gal/min from a horizon approximately 200 feet below land surface has little effect on lake stages or flows even after 5 years of pumping. In these scenarios, the stage and the surface-water outflow from Pine Lake are simulated to decrease by only 0.03 feet and 3 percent, respectively, relative to base conditions. Likely explanations for these limited effects are the modest pumping rate simulated, the depth of the test well, and the large transmissivity of the unconsolidated aquifer, which allows the well to draw water from upstream along the bedrock valley and to capture inflow from the Bark River. However, if the pumping rate of the test well is assumed to increase to 200 gal/min, the decrease in simulated Pine Lake outflow is appreciably larger, dropping by 14 percent relative to base-flow conditions.

Who's on base? Revealing the catalytic mechanism of inverting family 6 glycoside hydrolases

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mayes, Heather B.; Knott, Brandon C.; Crowley, Michael F.

In several important classes of inverting carbohydrate-active enzymes, the identity of the catalytic base remains elusive, including in family 6 Glycoside Hydrolase (GH6) enzymes, which are key components of cellulase cocktails for cellulose depolymerization. Despite many structural and kinetic studies with both wild-type and mutant enzymes, especially on the Trichoderma reesei (Hypocrea jecorina) GH6 cellulase ( TrCel6A), the catalytic base in the single displacement inverting mechanism has not been definitively identified in the GH6 family. Here, we employ transition path sampling to gain insight into the catalytic mechanism, which provides unbiased atomic-level understanding of key order parameters involved in cleavingmore » the strong glycosidic bond. Our hybrid quantum mechanics and molecular mechanics (QM/MM) simulations reveal a network of hydrogen bonding that aligns two active site water molecules that play key roles in hydrolysis: one water molecule drives the reaction by nucleophilic attack on the substrate and a second shuttles a proton to the putative base (D175) via a short water wire. We also investigated the case where the putative base is mutated to an alanine, an enzyme that is experimentally still partially active. The simulations predict that proton hopping along a water wire via a Grotthuss mechanism provides a mechanism of catalytic rescue. Further simulations reveal that substrate processive motion is 'driven' by strong electrostatic interactions with the protein at the product sites and that the -1 sugar adopts a 2S O ring configuration as it reaches its binding site. Lastly, this work thus elucidates previously elusive steps in the processive catalytic mechanism of this important class of enzymes.« less

Who's on base? Revealing the catalytic mechanism of inverting family 6 glycoside hydrolases

DOE PAGES

Mayes, Heather B.; Knott, Brandon C.; Crowley, Michael F.; ...

2016-06-01

In several important classes of inverting carbohydrate-active enzymes, the identity of the catalytic base remains elusive, including in family 6 Glycoside Hydrolase (GH6) enzymes, which are key components of cellulase cocktails for cellulose depolymerization. Despite many structural and kinetic studies with both wild-type and mutant enzymes, especially on the Trichoderma reesei (Hypocrea jecorina) GH6 cellulase ( TrCel6A), the catalytic base in the single displacement inverting mechanism has not been definitively identified in the GH6 family. Here, we employ transition path sampling to gain insight into the catalytic mechanism, which provides unbiased atomic-level understanding of key order parameters involved in cleavingmore » the strong glycosidic bond. Our hybrid quantum mechanics and molecular mechanics (QM/MM) simulations reveal a network of hydrogen bonding that aligns two active site water molecules that play key roles in hydrolysis: one water molecule drives the reaction by nucleophilic attack on the substrate and a second shuttles a proton to the putative base (D175) via a short water wire. We also investigated the case where the putative base is mutated to an alanine, an enzyme that is experimentally still partially active. The simulations predict that proton hopping along a water wire via a Grotthuss mechanism provides a mechanism of catalytic rescue. Further simulations reveal that substrate processive motion is 'driven' by strong electrostatic interactions with the protein at the product sites and that the -1 sugar adopts a 2S O ring configuration as it reaches its binding site. Lastly, this work thus elucidates previously elusive steps in the processive catalytic mechanism of this important class of enzymes.« less

Micro-scale finite element modeling of ultrasound propagation in aluminum trabecular bone-mimicking phantoms: A comparison between numerical simulation and experimental results.

PubMed

Vafaeian, B; Le, L H; Tran, T N H T; El-Rich, M; El-Bialy, T; Adeeb, S

2016-05-01

The present study investigated the accuracy of micro-scale finite element modeling for simulating broadband ultrasound propagation in water-saturated trabecular bone-mimicking phantoms. To this end, five commercially manufactured aluminum foam samples as trabecular bone-mimicking phantoms were utilized for ultrasonic immersion through-transmission experiments. Based on micro-computed tomography images of the same physical samples, three-dimensional high-resolution computational samples were generated to be implemented in the micro-scale finite element models. The finite element models employed the standard Galerkin finite element method (FEM) in time domain to simulate the ultrasonic experiments. The numerical simulations did not include energy dissipative mechanisms of ultrasonic attenuation; however, they expectedly simulated reflection, refraction, scattering, and wave mode conversion. The accuracy of the finite element simulations were evaluated by comparing the simulated ultrasonic attenuation and velocity with the experimental data. The maximum and the average relative errors between the experimental and simulated attenuation coefficients in the frequency range of 0.6-1.4 MHz were 17% and 6% respectively. Moreover, the simulations closely predicted the time-of-flight based velocities and the phase velocities of ultrasound with maximum relative errors of 20 m/s and 11 m/s respectively. The results of this study strongly suggest that micro-scale finite element modeling can effectively simulate broadband ultrasound propagation in water-saturated trabecular bone-mimicking structures. Copyright © 2016 Elsevier B.V. All rights reserved.

A CASE STUDY USING THE EPA'S WATER QUALITY MODELING SYSTEM, THE WINDOWS INTERFACE FOR SIMULATING PLUMES (WISP)

EPA Science Inventory

Wisp, the Windows Interface for Simulating Plumes, is designed to be an easy-to-use windows platform program for aquatic modeling. Wisp inherits many of its capabilities from its predecessor, the DOS-based PLUMES (Baumgartner, Frick, Roberts, 1994). These capabilities have been ...

HYDROLOGIC MODEL CALIBRATION AND UNCERTAINTY IN SCENARIO ANALYSIS

EPA Science Inventory

A systematic analysis of model performance during simulations based on

observed land-cover/use change is used to quantify error associated with water-yield

simulations for a series of known landscape conditions over a 24-year period with the

goal of evaluatin...

Development and integration of sub-hourly rainfall-runoff modeling capability within a watershed model

USDA-ARS?s Scientific Manuscript database

Increasing urbanization changes runoff patterns to be flashy and instantaneous with decreased base flow. A model with the ability to simulate sub-daily rainfall–runoff processes and continuous simulation capability is required to realistically capture the long-term flow and water quality trends in w...

Charge Behaviors around Oxide Device/Pseudo-Physiological Solution Interface with Molecular Dynamic Simulations

NASA Astrophysics Data System (ADS)

Maekawa, Yuki; Shibuta, Yasushi; Sakata, Toshiya

2013-12-01

In this study, we investigated the charge behaviors of ions and water molecules at the oxide device/pseudo-physiological solution interface by use of molecular dynamics (MD) simulations because the detection principle of semiconductor-based biosensors is based on the detection of charge density changes at the oxide sensing surface in physiological environments. In particular, we designed an alpha-quartz (100) surface with some charges corresponding to pH=5.5 so that the ionic behaviors for 500 mM each of Na+ and Cl- around the interface were calculated under the surface condition with charges, considering a real system. As a result of the simulation, we defined the region of Debye length from the calculated potential distribution, in which some parameters such as diffusion coefficient and the vibration of water molecules around the interface differed from those of the bulk solution. The elucidation of the solid/liquid interfacial behaviors by the simulation technique should deepen our understanding of the detection principle of semiconductor-based biosensors and will give guidelines for the design of a bio-interface in the field of biosensing technology, because they cannot be demonstrated experimentally.

Numerical study of chemical reactions in a surface microdischarge tube with mist flow based on experiment

NASA Astrophysics Data System (ADS)

Shibata, T.; Nishiyama, H.

2014-03-01

Recently, a water treatment method of spraying solution into a discharge region has been developed and shows high energy efficiency. In this study, a simulation model of a water treatment method using a surface microdischarge (SMD) tube with mist flow is proposed for further understanding the detailed chemical reactions. Our model has three phases (plasma, gas and liquid) and three simulation steps. The carrier gas is humid air including 2% or 3% water vapour. The chemical species diffusion characteristics in the SMD tube and the concentrations in a droplet are clarified in a wide pH interval. The simulation results show that the chemical species generated on the SMD tube inner wall are diffused to the central axis and dissolved into fine droplets. Especially, OH radicals dissolve into droplets a few mm away from the SMD tube wall because of acidification of the droplets. Furthermore, the hydrogen peroxide density, which is the most important indicator of a radical reaction in water, is influenced by the initial solution pH. This pH dependence results from ozone self-decomposition in water.

Can biophysical properties of submersed macrophytes be determined by remote sensing?

DOE Office of Scientific and Technical Information (OSTI.GOV)

Malthus, T.J.; Ciraolo, G.; La Loggia, G.

1997-06-01

This paper details the development of a computationally efficient Monte Carlo simulation program to model photon transport through submersed plant canopies, with emphasis on Seagrass communities. The model incorporates three components: the transmission of photons through a water column of varying depth and turbidity; the interaction of photons within a submersed plant canopy of varying biomass; and interactions with the bottom substrate. The three components of the model are discussed. Simulations were performed based on measured parameters for Posidonia oceanica and compared to measured subsurface reflectance spectra made over comparable seagrass communities in Sicilian coastal waters. It is shown thatmore » the output is realistic. Further simulations are undertaken to investigate the effect of depth and turbidity of the overlying water column. Both sets of results indicate the rapid loss of canopy signal as depth increases and water column phytoplankton concentrations increase. The implications for the development of algorithms for the estimation of submersed canopy biophysical parameters are briefly discussed.« less

Simulation of water removal process and optimization of aeration strategy in sewage sludge composting.

PubMed

Zhou, Hai-Bin; Chen, Tong-Bin; Gao, Ding; Zheng, Guo-Di; Chen, Jun; Pan, Tian-Hao; Liu, Hong-Tao; Gu, Run-Yao

2014-11-01

Reducing moisture in sewage sludge is one of the main goals of sewage sludge composting and biodrying. A mathematical model was used to simulate the performance of water removal under different aeration strategies. Additionally, the correlations between temperature, moisture content (MC), volatile solids (VS), oxygen content (OC), and ambient air temperature and aeration strategies were predicted. The mathematical model was verified based on coefficients of correlation between the measured and predicted results of over 0.80 for OC, MC, and VS, and 0.72 for temperature. The results of the simulation showed that water reduction was enhanced when the average aeration rate (AR) increased to 15.37 m(3) min(-1) (6/34 min/min, AR: 102.46 m(3) min(-1)), above which no further increase was observed. Furthermore, more water was removed under a higher on/off time of 7/33 (min/min, AR: 87.34 m(3) min(-1)), and when ambient air temperature was higher. Copyright © 2014 Elsevier Ltd. All rights reserved.

Impact assessment of agricultural driven stressors on benthic macroinvertebrates using simulated data.

PubMed

Stefanidis, K; Panagopoulos, Y; Mimikou, M

2016-01-01

Agricultural land use poses a significant threat to the ecological integrity of rivers in Europe. Particularly in the Mediterranean, water abstraction and nutrient application are anthropogenic pressures that have a significant impact on aquatic habitats and biodiversity. In this article, we assessed the effects of agricultural management practices on benthic macroinvertebrates in a large river basin of central Greece using simulated data based on the application of SWAT (Soil Water Assessment Tool) model. Physicochemical and hydrological output variables of the model were used as predictors of the ASPT (Average Score Per Taxon) metric based on a correlated component regression analysis (CCR) built on empirical data. The estimation of ASPT was performed for the wet and dry seasons within a 20-year period for a total of 47 subbasins under the baseline conditions and after implementing three management scenarios that reduced: a) irrigation water applied to crops by 30%, b) chemical fertilization applied to crops by 30% and c) both irrigation and fertilization by 30%. The results revealed that application of the reduced irrigation resulted to a slight increase of the simulated dissolved inorganic nitrogen concentration (DIN), which in turn decreased the mean ASPT in 21 of the 47 subbasins implying a negative effect on the macroinvertebrate communities. On the contrary, the reduction of fertilization as well as the combined scenario decreased both the simulated DIN and phosphate concentration causing an increase of the mean ASPT for a total of 40 of the 47 subbasins. Based on these results, we suggest that the best management option is a combined practice of deficit irrigation and fertilization reduction since it improved water quality, increased ASPT values and saved a considerable amount of water. Overall, this work demonstrates a simple methodology that can efficiently assess the effects of agricultural management practices on biotic indicators. Copyright © 2015 Elsevier B.V. All rights reserved.

Simulated Effects of Projected 2010 Withdrawals on Ground-Water Flow and Water Levels in the New Jersey Coastal Plain - A Task of the New Jersey Water Supply Plan, 2006 Revision

USGS Publications Warehouse

Gordon, Alison D.

2007-01-01

A ground-water flow model previously developed as part of a Regional Aquifer System Analysis (RASA) of the New Jersey Coastal Plain was used to simulate ground-water flow in eight major confined aquifers to help evaluate ground-water resources in support of the New Jersey Department of Environmental Protection's revision of the New Jersey State Water Supply Plan. This model was calibrated to 1998 steady-state and transient conditions. Withdrawals at wells in operation in 1998 were varied in three scenarios to evaluate their effects on flow directions, water levels, and water budgets in the confined aquifers. The scenarios used to predict changes in pumpage from 1998 to 2010 were based on (1) a continuation of 1990-99 trends in water use, (2) public-supply withdrawals estimated from county population projections, and (3) restricted withdrawals in Water-Supply Critical Areas. Total withdrawals in these three scenarios were approximately 366, 362, and 355 million gallons per day, respectively. The results of these simulations are used by New Jersey water-management officials to help address water-supply concerns for the State. In the revision of the New Jersey State Water Supply Plan, the eight major confined aquifers of the New Jersey Coastal Plain and their outcrop areas are divided into 41 hydrologic budget areas (HBAs). Simulation results were used to assess the effects of changing ground-water withdrawals on water levels and the flow budgets in each budget area. Simulation results for each scenario were compared with 1998 (baseline) simulated water levels and flow budgets. The 41 hydrologic budget areas are in areas of large ground-water withdrawals, water-level declines, and (or) saltwater-intrusion potential. Their boundaries are based on various hydrologic, geohydrologic, and withdrawal conditions, such as aquifer extent, location of the 250-milligram-per-liter isochlor, aquifer outcrop area, and ground-water divides. The budget areas include primarily the onshore, freshwater portions of the aquifers. A budget analysis was done for each of the hydrologic budget areas for each scenario. Ground-water withdrawals, leakage to streams, net leakage to overlying and underlying aquifers, lateral flow to adjacent budget areas, and the flow direction at the 250-milligram-per-liter isochlor were evaluated. Although three different methods were applied to predict future pumping rates, the simulated water levels for scenarios 1 and 2 were generally within 2 feet of each other in most areas in the confined aquifers, but differences of more than 2 feet occurred locally. Differences in values of flow-budget components between scenarios 1 and 2 as a percentage change from 1998 values were generally within 2 percent in most hydrologic budget areas, but values of some budget components in some hydrologic budget areas differed by more than 2 percent. Simulated water levels recovered as much as 4 feet more in northeastern Camden and northwestern Burlington Counties in the Lower Potomac-Raritan-Magothy aquifer, and as much as 3 feet more in the same area in the Upper and Middle Potomac-Raritan-Magothy aquifers when pumpage restrictions were imposed in Critical Area 2 (scenario 3). In the Wenonah-Mount-Laurel aquifer, water levels declined continually in Monmouth County (HBA 8) downdip from the outcrop (in Critical Area 1) from 1988 to 2010 in all three scenarios, although most of the water levels farther downdip from this area in Critical Area 1 are still recovering because of mandated reductions in pumpage in the 1990s. In the Englishtown aquifer system, water levels declined continually in small areas in HBA 13 in central Monmouth County (in Critical Area 1) and in western Monmouth County downdip from the outcrop from 1988 to 2010 in all three scenarios, although most of the water levels farther downdip from this area are still recovering because of the mandated reductions in pumpage. In the Upper Potomac-Raritan-Magothy aquif

Simulation of Radiation Damage to Neural Cells with the Geant4-DNA Toolkit

NASA Astrophysics Data System (ADS)

Bayarchimeg, Lkhagvaa; Batmunkh, Munkhbaatar; Belov, Oleg; Lkhagva, Oidov

2018-02-01

To help in understanding the physical and biological mechanisms underlying effects of cosmic and therapeutic types of radiation on the central nervous system (CNS), we have developed an original neuron application based on the Geant4 Monte Carlo simulation toolkit, in particular on its biophysical extension Geant4-DNA. The applied simulation technique provides a tool for the simulation of physical, physico-chemical and chemical processes (e.g. production of water radiolysis species in the vicinity of neurons) in realistic geometrical model of neural cells exposed to ionizing radiation. The present study evaluates the microscopic energy depositions and water radiolysis species yields within a detailed structure of a selected neuron taking into account its soma, dendrites, axon and spines following irradiation with carbon and iron ions.

Simulation of deep ventilation in Crater Lake, Oregon, 1951–2099

USGS Publications Warehouse

Wood, Tamara M.; Wherry, Susan A.; Piccolroaz, Sebastiano; Girdner, Scott F

2016-05-04

The frequency of deep ventilation events in Crater Lake, a caldera lake in the Oregon Cascade Mountains, was simulated in six future climate scenarios, using a 1-dimensional deep ventilation model (1DDV) that was developed to simulate the ventilation of deep water initiated by reverse stratification and subsequent thermobaric instability. The model was calibrated and validated with lake temperature data collected from 1994 to 2011. Wind and air temperature data from three general circulation models and two representative concentration pathways were used to simulate the change in lake temperature and the frequency of deep ventilation events in possible future climates. The lumped model air2water was used to project lake surface temperature, a required boundary condition for the lake model, based on air temperature in the future climates.The 1DDV model was used to simulate daily water temperature profiles through 2099. All future climate scenarios projected increased water temperature throughout the water column and a substantive reduction in the frequency of deep ventilation events. The least extreme scenario projected the frequency of deep ventilation events to decrease from about 1 in 2 years in current conditions to about 1 in 3 years by 2100. The most extreme scenario considered projected the frequency of deep ventilation events to be about 1 in 7.7 years by 2100. All scenarios predicted that the temperature of the entire water column will be greater than 4 °C for increasing lengths of time in the future and that the conditions required for thermobaric instability induced mixing will become rare or non-existent.The disruption of deep ventilation by itself does not provide a complete picture of the potential ecological and water quality consequences of warming climate to Crater Lake. Estimating the effect of warming climate on deep water oxygen depletion and water clarity will require careful modeling studies to combine the physical mixing processes affected by the atmosphere with the multitude of factors affecting the growth of algae and corresponding water clarity.

From the paddle to the beach - A Boussinesq shallow water numerical wave tank based on Madsen and Sørensen's equations

NASA Astrophysics Data System (ADS)

Orszaghova, Jana; Borthwick, Alistair G. L.; Taylor, Paul H.

2012-01-01

This article describes a one-dimensional numerical model of a shallow-water flume with an in-built piston paddle moving boundary wavemaker. The model is based on a set of enhanced Boussinesq equations and the nonlinear shallow water equations. Wave breaking is described approximately, by locally switching to the nonlinear shallow water equations when a critical wave steepness is reached. The moving shoreline is calculated as part of the solution. The piston paddle wavemaker operates on a movable grid, which is Lagrangian on the paddle face and Eulerian away from the paddle. The governing equations are, however, evolved on a fixed mapped grid, and the newly calculated solution is transformed back onto the moving grid via a domain mapping technique. Validation test results are compared against analytical solutions, confirming correct discretisation of the governing equations, wave generation via the numerical paddle, and movement of the wet/dry front. Simulations are presented that reproduce laboratory experiments of wave runup on a plane beach and wave overtopping of a laboratory seawall, involving solitary waves and compact wave groups. In practice, the numerical model is suitable for simulating the propagation of weakly dispersive waves and can additionally model any associated inundation, overtopping or inland flooding within the same simulation.

Land-use impacts on water resources and protected areas: applications of state-and-transition simulation modeling of future scenarios

NASA Astrophysics Data System (ADS)

Wilson, T. S.; Sleeter, B. M.; Sherba, J.; Cameron, D.

2014-12-01

Human land use will increasingly contribute to habitat losses and water shortages in California, given future population projections and associated demand for agricultural land. Understanding how land-use change may impact future water use and where existing protected areas may be threatened by land-use conversion will be important if effective, sustainable management approaches are to be implemented. We used a state-and-transition simulation modeling (STSM) framework to simulate spatially-explicit (1 km2) historical (1992-2010) and future (2011-2060) land-use change for 52 California counties within the Mediterranean California ecoregion. Historical land use change estimates were derived from the Farmland Mapping and Monitoring Program (FMMP) dataset and attributed with county-level agricultural water-use data from the California Department of Water Resources (CDWR). Six future alternative land-use scenarios were developed and modeled using the historical land-use change estimates and land-use projections based on the Intergovernmental Panel on Climate Change's (IPCC) Special Report on Emission Scenarios (SRES) A2 and B1 scenarios. Resulting spatial land-use scenario outputs were combined based on scenario agreement and a land conversion threat index developed to evaluate vulnerability of existing protected areas. Modeled scenario output of county-level agricultural water use data were also summarized, enabling examination of alternative water use futures. We present results of two separate applications of STSM of land-use change, demonstrating the utility of STSM in analyzing land-use related impacts on water resources as well as potential threats to existing protected land. Exploring a range of alternative, yet plausible, land-use change impacts will help to better inform resource management and mitigation strategies.

Effects of soil and precipitation dataset resolution on SWAT2005 sediment and total phosphorus simulation accuracy and outputs

USDA-ARS?s Scientific Manuscript database

The Fort Cobb Reservoir, which is within the Fort Cobb Reservoir Experimental watershed (FCREW) in Oklahoma, is on the Oklahoma 303(d) list (list of water bodies that do not meet the water quality standards as given in the Clean Water Act) based on sedimentation and trophic level of the lake associa...

Bringing Water to a Lesotho Village: A Classroom Simulation. Water in Africa.

ERIC Educational Resources Information Center

Ray, Dany M.

The Water in Africa Project was realized over a 2-year period by a team of Peace Corps volunteers, World Wise Schools (WWS) classroom teachers, and WWS staff members. As part of an expanded, detailed design, resources were collected from over 90 volunteers serving in African countries, photos and stories were prepared, and standards-based learning…

Modeling precipitation-runoff relationships to determine water yield from a ponderosa pine forest watershed

Treesearch

Assefa S. Desta

2006-01-01

A stochastic precipitation-runoff modeling is used to estimate a cold and warm-seasons water yield from a ponderosa pine forested watershed in the north-central Arizona. The model consists of two parts namely, simulation of the temporal and spatial distribution of precipitation using a stochastic, event-based approach and estimation of water yield from the watershed...

A Geology-Based Estimate of Connate Water Salinity Distribution

DTIC Science & Technology

2014-09-01

poses serious environmental concerns if connate water is mobilized into shallow aquifers or surface water systems. Estimating the distribution of...groundwater flow and salinity transport near the Herbert Hoover Dike (HHD) surrounding Lake Okeechobee in Florida . The simulations were conducted using the...on the geologic configuration at equilibrium, and the horizontal salinity distribution is strongly linked to aquifer connectivity because

Case study of developing an integrated water and nitrogen scheme for agricultural systems on the North China Plain

NASA Astrophysics Data System (ADS)

Liu, Y.; Tao, F.; Luo, Y.; Ma, J.

2013-12-01

Appropriate irrigation and nitrogen fertilization, along with suitable crop management strategies, are essential prerequisites for optimum yields in agricultural systems. This research attempts to provide a scientific basis for sustainable agricultural production management for the North China Plain and other semi-arid regions. Based on a series of 72 treatments over 2003-2008, an optimized water and nitrogen scheme for winter wheat/summer maize cropping system was developed. Integrated systems incorporating 120 mm of water with 80 kg N ha-1 N fertilizer were used to simulate winter wheat yields in Hebei and 120 mm of water with 120 kg N ha-1 were used to simulate winter wheat yields in Shandong and Henan provinces in 2000-2007. Similarly, integrated treatments of 40 kg N ha-1 N fertilizer were used to simulate summer maize yields in Hebei, and 80 kg N ha-1 was used to simulate summer maize yields in Shandong and Henan provinces in 2000-2007. Under the optimized scheme, 341.74 107 mm ha-1 of water and 575.79 104 Mg of urea fertilizer could be saved per year under the wheat/maize rotation system. Despite slight drops in the yields of wheat and maize in some areas, water and fertilizer saving has tremendous long-term eco-environmental benefits.

Adsorption of HMF from water/DMSO solutions onto hydrophobic zeolites: experiment and simulation.

PubMed

Xiong, Ruichang; León, Marta; Nikolakis, Vladimiros; Sandler, Stanley I; Vlachos, Dionisios G

2014-01-01

The adsorption of 5-hydroxymethylfurfural (HMF), DMSO, and water from binary and ternary mixtures in hydrophobic silicalite-1 and dealuminated Y (DAY) zeolites at ambient conditions was studied by experiments and molecular modeling. HMF and DMSO adsorption isotherms were measured and compared to those calculated using a combination of grand canonical Monte Carlo and expanded ensemble (GCMC-EE) simulations. A method based on GCMC-EE simulations for dilute solutions combined with the Redlich-Kister (RK) expansion (GCMC-EE-RK) is introduced to calculate the isotherms over a wide range of concentrations. The simulations, using literature force fields, are in reasonable agreement with experimental data. In HMF/water binary mixtures, large-pore hydrophobic zeolites are much more effective for HMF adsorption but less selective because large pores allow water adsorption because of H2 O-HMF attraction. In ternary HMF/DMSO/water mixtures, HMF loading decreases with increasing DMSO fraction, rendering the separation of HMF from water/DMSO mixtures by adsorption difficult. The ratio of the energetic interaction in the zeolite to the solvation free energy is a key factor in controlling separation from liquid mixtures. Overall, our findings could have an impact on the separation and catalytic conversion of HMF and the rational design of nanoporous adsorbents for liquid-phase separations in biomass processing. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Secondary water pore formation for proton transport in a ClC exchanger revealed by an atomistic molecular-dynamics simulation.

PubMed

Ko, Youn Jo; Jo, Won Ho

2010-05-19

Several prokaryotic ClC proteins have been demonstrated to function as exchangers that transport both chloride ions and protons simultaneously in opposite directions. However, the path of the proton through the ClC exchanger, and how the protein brings about the coupled movement of both ions are still unknown. In this work, we use an atomistic molecular dynamics (MD) simulation to demonstrate that a previously unknown secondary water pore is formed inside an Escherichia coli ClC exchanger. The secondary water pore is bifurcated from the chloride ion pathway at E148. From the systematic simulations, we determined that the glutamate residue exposed to the intracellular solution, E203, plays an important role as a trigger for the formation of the secondary water pore, and that the highly conserved tyrosine residue Y445 functions as a barrier that separates the proton from the chloride ion pathways. Based on our simulation results, we conclude that protons in the ClC exchanger are conducted via a water network through the secondary water pore, and we propose a new mechanism for the coupled transport of chloride ions and protons. It has been reported that several members of ClC proteins are not just channels that simply transport chloride ions across lipid bilayers; rather, they are exchangers that transport both the chloride ion and proton in opposite directions. However, the ion transit pathways and the mechanism of the coupled movement of these two ions have not yet been unveiled. In this article, we report a new finding (to our knowledge) of a water pore inside a prokaryotic ClC protein as revealed by computer simulation. This water pore is bifurcated from the putative chloride ion, and water molecules inside the new pore connect two glutamate residues that are known to be key residues for proton transport. On the basis of our simulation results, we conclude that the water wire that is formed inside the newly found pore acts as a proton pathway, which enables us to resolve many problems that could not be addressed by previous experimental studies. Copyright 2010 Biophysical Society. Published by Elsevier Inc. All rights reserved.

General order parameter based correlation analysis of protein backbone motions between experimental NMR relaxation measurements and molecular dynamics simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Qing; Shi, Chaowei; Yu, Lu

Internal backbone dynamic motions are essential for different protein functions and occur on a wide range of time scales, from femtoseconds to seconds. Molecular dynamic (MD) simulations and nuclear magnetic resonance (NMR) spin relaxation measurements are valuable tools to gain access to fast (nanosecond) internal motions. However, there exist few reports on correlation analysis between MD and NMR relaxation data. Here, backbone relaxation measurements of {sup 15}N-labeled SH3 (Src homology 3) domain proteins in aqueous buffer were used to generate general order parameters (S{sup 2}) using a model-free approach. Simultaneously, 80 ns MD simulations of SH3 domain proteins in amore » defined hydrated box at neutral pH were conducted and the general order parameters (S{sup 2}) were derived from the MD trajectory. Correlation analysis using the Gromos force field indicated that S{sup 2} values from NMR relaxation measurements and MD simulations were significantly different. MD simulations were performed on models with different charge states for three histidine residues, and with different water models, which were SPC (simple point charge) water model and SPC/E (extended simple point charge) water model. S{sup 2} parameters from MD simulations with charges for all three histidines and with the SPC/E water model correlated well with S{sup 2} calculated from the experimental NMR relaxation measurements, in a site-specific manner. - Highlights: • Correlation analysis between NMR relaxation measurements and MD simulations. • General order parameter (S{sup 2}) as common reference between the two methods. • Different protein dynamics with different Histidine charge states in neutral pH. • Different protein dynamics with different water models.« less

DEVELOPMENT OF HIGHLY-EFFICIENT AQUAPORIN-BASED WATER TREATMENTMEMBRANES FOR DESALINATION AND CONTAMINANT REMOVAL

EPA Science Inventory

As an outcome of this project data on the applicability of protein polymer membranes for application to water desalination will be obtained. This will provide information on the stability and permeability of these membranes under simulated desalination conditions. The struct...

WATER QUALITY MODELING AND SAMPLING STUDY IN A DISTRIBUTION SYSTEM

EPA Science Inventory

A variety of computer based models have been developed and used by the water industry to access the movement and fate of contaminants within the distribution system. uch models include: ynamic and steady state hydraulic models which simulate the flow quantity, flow direction, and...

Hydrogeolgy and Ground-Water-Flow Simulation in the Former Airfield Area of Naval Support Activity Mid-South, Millington, Tennessee

USGS Publications Warehouse

Haugh, Connor J.; Carmichael, John K.; Ladd, David E.

2004-01-01

Naval Support Activity Mid-South is a Department of the Navy base located in Millington, Tennessee. The facility was home to the Naval Aviation Technical Training Center from 1943 until 1996. As part of the Base Closure and Realignment Act of 1990, the primary training mission of the facility was realigned and most of the northern part of the base, referred to as the Northside and consisting primarily of an airfield, was transferred to the city of Millington in January 2000. During environmental investigations at the base, plumes of dissolved chlorinated solvents resulting from past aircraft maintenance and training operations were identified in shallow ground water beneath the airfield area. The airfield area containing the plumes has been designated as Area of Concern (AOC) A. Chlorinated solvents, primarily trichloroethene (TCE), are the principal contaminants in ground water at AOC A, with TCE identified in concentrations as high as 4,400 micrograms per liter. The nature and extent of these plumes at AOC A were addressed during a Resource Conservation and Recovery Act Facility Investigation, and selected options for remediation currently are being implemented under a corrective action program. As part of these efforts, the U.S. Geological Survey (USGS) is working with the Navy and its consultants to study the hydrogeologic framework of the base and surrounding area, with a focus on AOC A. Since 1997, investigations at and near the facility have produced data prompting revisions and additions to information published that year in two USGS reports. The updates are presented in this report and consist primarily of (1) refinements to selected hydrogeologic maps presented in the 1997 reports, on the basis of data collected from new wells at on- and off-base locations, (2) additional hydraulic-conductivity data collected for the alluvial-fluvial deposits aquifer at AOC A, and (3) construction of a potentiometric-surface map of the shallow aquifer for the former part of the Naval Support Activity Mid-South Northside and adjacent off-base locations for February and March 2000 water-level conditions. Additionally, a numerical ground-water-flow model of AOC A was developed and calibrated to the February and March 2000 potentiometric-surface data, the results of which also are presented in this report. Particle-tracking simulations were used with the model to simulate ground-water-flow paths from two sites suspected of being contaminant source areas at AOC A. The flow paths indicated by the particle tracking simulations agree reasonably well with maps of the interpreted extents of TCE plumes. The time-of-travel plots show that advective travel times from the two suspected source areas to the model boundary are controlled by relative proximities of the source areas to a part of AOC A identified from investigations and simulated with the model as having the highest horizontal hydraulic conductivity.

An initial investigation of multidimensional flow and transverse mixing characteristics of the Ohio River near Cincinnati, Ohio

USGS Publications Warehouse

Holtschlag, David J.

2009-01-01

Two-dimensional hydrodynamic and transport models were applied to a 34-mile reach of the Ohio River from Cincinnati, Ohio, upstream to Meldahl Dam near Neville, Ohio. The hydrodynamic model was based on the generalized finite-element hydrodynamic code RMA2 to simulate depth-averaged velocities and flow depths. The generalized water-quality transport code RMA4 was applied to simulate the transport of vertically mixed, water-soluble constituents that have a density similar to that of water. Boundary conditions for hydrodynamic simulations included water levels at the U.S. Geological Survey water-level gaging station near Cincinnati, Ohio, and flow estimates based on a gate rating at Meldahl Dam. Flows estimated on the basis of the gate rating were adjusted with limited flow-measurement data to more nearly reflect current conditions. An initial calibration of the hydrodynamic model was based on data from acoustic Doppler current profiler surveys and water-level information. These data provided flows, horizontal water velocities, water levels, and flow depths needed to estimate hydrodynamic parameters related to channel resistance to flow and eddy viscosity. Similarly, dye concentration measurements from two dye-injection sites on each side of the river were used to develop initial estimates of transport parameters describing mixing and dye-decay characteristics needed for the transport model. A nonlinear regression-based approach was used to estimate parameters in the hydrodynamic and transport models. Parameters describing channel resistance to flow (Manning’s “n”) were estimated in areas of deep and shallow flows as 0.0234, and 0.0275, respectively. The estimated RMA2 Peclet number, which is used to dynamically compute eddy-viscosity coefficients, was 38.3, which is in the range of 15 to 40 that is typically considered appropriate. Resulting hydrodynamic simulations explained 98.8 percent of the variability in depth-averaged flows, 90.0 percent of the variability in water levels, 93.5 percent of the variability in flow depths, and 92.5 percent of the variability in velocities. Estimates of the water-quality-transport-model parameters describing turbulent mixing characteristics converged to different values for the two dye-injection reaches. For the Big Indian Creek dye-injection study, an RMA4 Peclet number of 37.2 was estimated, which was within the recommended range of 15 to 40, and similar to the RMA2 Peclet number. The estimated dye-decay coefficient was 0.323. Simulated dye concentrations explained 90.2 percent of the variations in measured dye concentrations for the Big Indian Creek injection study. For the dye-injection reach starting downstream from Twelvemile Creek, however, an RMA4 Peclet number of 173 was estimated, which is far outside the recommended range. Simulated dye concentrations were similar to measured concentration distributions at the first four transects downstream from the dye-injection site that were considered vertically mixed. Farther downstream, however, simulated concentrations did not match the attenuation of maximum concentrations or cross-channel transport of dye that were measured. The difficulty of determining a consistent RMA4 Peclet was related to the two-dimension model assumption that velocity distributions are closely approximated by their depth-averaged values. Analysis of velocity data showed significant variations in velocity direction with depth in channel reaches with curvature. Channel irregularities (including curvatures, depth irregularities, and shoreline variations) apparently produce transverse currents that affect the distribution of constituents, but are not fully accounted for in a two-dimensional model. The two-dimensional flow model, using channel resistance to flow parameters of 0.0234 and 0.0275 for deep and shallow areas, respectively, and an RMA2 Peclet number of 38.3, and the RMA4 transport model with a Peclet number of 37.2, may have utility for emergency-planning purposes. Emergency-response efforts would be enhanced by continuous streamgaging records downstream from Meldahl Dam, real-time water-quality monitoring, and three-dimensional modeling. Decay coefficients are constituent specific.

Controlled laboratory experiments and modeling of vegetative filter strips with shallow water tables

NASA Astrophysics Data System (ADS)

Fox, Garey A.; Muñoz-Carpena, Rafael; Purvis, Rebecca A.

2018-01-01

Natural or planted vegetation at the edge of fields or adjacent to streams, also known as vegetative filter strips (VFS), are commonly used as an environmental mitigation practice for runoff pollution and agrochemical spray drift. The VFS position in lowlands near water bodies often implies the presence of a seasonal shallow water table (WT). In spite of its potential importance, there is limited experimental work that systematically studies the effect of shallow WTs on VFS efficacy. Previous research recently coupled a new physically based algorithm describing infiltration into soils bounded by a water table into the VFS numerical overland flow and transport model, VFSMOD, to simulate VFS dynamics under shallow WT conditions. In this study, we tested the performance of the model against laboratory mesoscale data under controlled conditions. A laboratory soil box (1.0 m wide, 2.0 m long, and 0.7 m deep) was used to simulate a VFS and quantify the influence of shallow WTs on runoff. Experiments included planted Bermuda grass on repacked silt loam and sandy loam soils. A series of experiments were performed including a free drainage case (no WT) and a static shallow water table (0.3-0.4 m below ground surface). For each soil type, this research first calibrated VFSMOD to the observed outflow hydrograph for the free drainage experiments to parameterize the soil hydraulic and vegetation parameters, and then evaluated the model based on outflow hydrographs for the shallow WT experiments. This research used several statistical metrics and a new approach based on hypothesis testing of the Nash-Sutcliffe model efficiency coefficient (NSE) to evaluate model performance. The new VFSMOD routines successfully simulated the outflow hydrographs under both free drainage and shallow WT conditions. Statistical metrics considered the model performance valid with greater than 99.5% probability across all scenarios. This research also simulated the shallow water table experiments with both free drainage and various water table depths to quantify the effect of assuming the former boundary condition. For these two soil types, shallow WTs within 1.0-1.2 m below the soil surface influenced infiltration. Existing models will suggest a more protective vegetative filter strip than what actually exists if shallow water table conditions are not considered.

Water-injected all-dielectric ultra-wideband and prominent oblique incidence metamaterial absorber in microwave regime

NASA Astrophysics Data System (ADS)

Huang, Xiaojun; Yang, Helin; Shen, Zhaoyang; Chen, Jiao; Lin, Hail; Yu, Zetai

2017-09-01

We present a water-injected all-dielectric metamaterial that can offer an extremely wide bandwidth of electromagnetic absorption and prominent wide incident angle range. Different from conventional metal-dielectric based metamaterial absorbers, the absorption mechanism of the proposed all-dielectric metamaterial absorber is to take advantage of the dispersion of water, rather than electric or/and magnetic resonance, which thoroughly overcomes the defects of narrow bandwidth and oblique incidence from metal-dielectric based metamaterial absorber. The simulated absorption was over 90% in 8.1-22.9 GHz with the relative bandwidth of 95.5% when the incident angle reaches 60°, and the corresponding microwave experiment is performed to support the simulations. The obtained excellent absorption performance reveals a possible application of the proposed absorber, which can be exploited for electromagnetic stealth purposes, especially for electromagnetic stealth of sea targets.

Experimental, Numerical, and Analytical Slosh Dynamics of Water and Liquid Nitrogen in a Spherical Tank

NASA Technical Reports Server (NTRS)

Storey, Jedediah Morse

2016-01-01

Understanding, predicting, and controlling fluid slosh dynamics is critical to safety and improving performance of space missions when a significant percentage of the spacecraft's mass is a liquid. Computational fluid dynamics simulations can be used to predict the dynamics of slosh, but these programs require extensive validation. Many experimental and numerical studies of water slosh have been conducted. However, slosh data for cryogenic liquids is lacking. Water and cryogenic liquid nitrogen are used in various ground-based tests with a spherical tank to characterize damping, slosh mode frequencies, and slosh forces. A single ring baffle is installed in the tank for some of the tests. Analytical models for slosh modes, slosh forces, and baffle damping are constructed based on prior work. Select experiments are simulated using a commercial CFD software, and the numerical results are compared to the analytical and experimental results for the purposes of validation and methodology-improvement.

Validation and application of a two-dimensional model to simulate soil salt transport under mulched drip irrigation

NASA Astrophysics Data System (ADS)

Jiao, Huiqing; Zhao, Chengyi; Sheng, Yu; Chen, Yan; Shi, Jianchu; Li, Baoguo

2017-04-01

Water shortage and soil salinization increasingly become the main constraints for sustainable development of agriculture in Southern Xinjiang, China. Mulched drip irrigation, as a high-efficient water-saving irrigation method, has been widely applied in Southern Xinjiang for cotton production. In order to analyze the reasonability of describing the three-dimensional soil water and salt transport processes under mulched drip irrigation with a relatively simple two-dimensional model, a field experiment was conducted from 2007 to 2015 at Aksu of Southern Xinjiang, and soil water and salt transport processes were simulated through the three-dimensional and two-dimensional models based on COMSOL. Obvious differences were found between three-dimensional and two-dimensional simulations for soil water flow within the early 12 h of irrigation event and for soil salt transport in the area within 15 cm away from drip tubes during the whole irrigation event. The soil water and salt contents simulated by the two-dimensional model, however, agreed well with the mean values between two adjacent emitters simulated by the three-dimensional model, and also coincided with the measurements as corresponding RMSE less than 0.037 cm3 cm-3 and 1.80 g kg-1, indicating that the two-dimensional model was reliable for field irrigation management. Subsequently, the two-dimensional model was applied to simulate the dynamics of soil salinity for five numerical situations and for a widely adopted irrigation pattern in Southern Xinjiang (about 350 mm through mulched drip irrigation during growing season of cotton and total 400 mm through flooding irrigations before sowing and after harvesting). The simulation results indicated that the contribution of transpiration to salt accumulation in root layer was about 75% under mulched drip irrigation. Moreover, flooding irrigations before sowing and after harvesting were of great importance for salt leaching of arable layer, especially in bare strip where drip irrigation water hardly reached, and thus providing suitable root zone environment for cotton. Nevertheless, flooding irrigation should be further optimized to enhance water use efficiency.

Simulation of effects of wastewater discharges on Sand Creek and lower Caddo Creek near Ardmore, Oklahoma

USGS Publications Warehouse

Wesolowski, Edwin A.

1999-01-01

A streamflow and water-quality model was developed for reaches of Sand and Caddo Creeks in south-central Oklahoma to simulate the effects of wastewater discharge from a refinery and a municipal treatment plant.The purpose of the model was to simulate conditions during low streamflow when the conditions controlling dissolved-oxygen concentrations are most severe. Data collected to calibrate and verify the streamflow and water-quality model include continuously monitored streamflow and water-quality data at two gaging stations and three temporary monitoring stations; wastewater discharge from two wastewater plants; two sets each of five water-quality samples at nine sites during a 24-hour period; dye and propane samples; periphyton samples; and sediment oxygen demand measurements. The water-quality sampling, at a 6-hour frequency, was based on a Lagrangian reference frame in which the same volume of water was sampled at each site. To represent the unsteady streamflows and the dynamic water-quality conditions, a transport modeling system was used that included both a model to route streamflow and a model to transport dissolved conservative constituents with linkage to reaction kinetics similar to the U.S. Environmental Protection Agency QUAL2E model to simulate nonconservative constituents. These model codes are the Diffusion Analogy Streamflow Routing Model (DAFLOW) and the branched Lagrangian transport model (BLTM) and BLTM/QUAL2E that, collectively, as calibrated models, are referred to as the Ardmore Water-Quality Model.The Ardmore DAFLOW model was calibrated with three sets of streamflows that collectively ranged from 16 to 3,456 cubic feet per second. The model uses only one set of calibrated coefficients and exponents to simulate streamflow over this range. The Ardmore BLTM was calibrated for transport by simulating dye concentrations collected during a tracer study when streamflows ranged from 16 to 23 cubic feet per second. Therefore, the model is expected to be most useful for low streamflow simulations. The Ardmore BLTM/QUAL2E model was calibrated and verified with water-quality data from nine sites where two sets of five samples were collected. The streamflow during the water-quality sampling in Caddo Creek at site 7 ranged from 8.4 to 20 cubic feet per second, of which about 5.0 to 9.7 cubic feet per second was contributed by Sand Creek. The model simulates the fate and transport of 10 water-quality constituents. The model was verified by running it using data that were not used in calibration; only phytoplankton were not verified.Measured and simulated concentrations of dissolved oxygen exhibited a marked daily pattern that was attributable to waste loading and algal activity. Dissolved-oxygen measurements during this study and simulated dissolved-oxygen concentrations using the Ardmore Water-Quality Model, for the conditions of this study, illustrate that the dissolved-oxygen sag curve caused by the upstream wastewater discharges is confined to Sand Creek.

The Water, Energy, and Biogeochemical Model (WEBMOD): A TOPMODEL application developed within the Modular Modeling System

NASA Astrophysics Data System (ADS)

Webb, R. M.; Wolock, D. M.; Linard, J. I.; Wieczorek, M. E.

2004-12-01

Process-based flow and transport simulation models can help increase understanding of how hydrologic flow paths affect biogeochemical mixing and reactions in watersheds. This presentation describes the Water, Energy, and Biogeochemical Model (WEBMOD), a new model designed to simulate water and chemical transport in both pristine and agricultural watersheds. WEBMOD simulates streamflow using TOPMODEL algorithms and also simulates irrigation, canopy interception, snowpack, and tile-drain flow; these are important processes for successful multi-year simulations of agricultural watersheds. In addition, the hydrologic components of the model are linked to the U.S. Geological Survey's (USGS) geochemical model PHREEQC such that solute chemistry for the hillslopes and streams also are computed. Model development, execution, and calibration take place within the USGS Modular Modeling System. WEBMOD is being validated at ten research watersheds. Five of these watersheds are nearly pristine and comprise the USGS Water, Energy, and Biogeochemical Budget (WEBB) Program field sites: Loch Vale, Colorado; Trout Lake, Wisconsin; Sleepers River, Vermont; Panola Mountain, Georgia; and the Luquillo Experimental Forest, Puerto Rico. The remaining five watersheds contain intensely cultivated fields being studied by USGS National Water Quality Assessment Program: Merced River, California; Granger Drain, Washington; Maple Creek, Nebraska; Sugar Creek, Indiana; and Morgan Creek, Delaware. Model calibration improved understanding of observed variations in soil moisture, solute concentrations, and stream discharge at the five WEBB watersheds and is now being set up to simulate the processes at the five agricultural watersheds that are now ending their first year of data collection.

Isobaric first-principles molecular dynamics of liquid water with nonlocal van der Waals interactions

NASA Astrophysics Data System (ADS)

Miceli, Giacomo; de Gironcoli, Stefano; Pasquarello, Alfredo

2015-01-01

We investigate the structural properties of liquid water at near ambient conditions using first-principles molecular dynamics simulations based on a semilocal density functional augmented with nonlocal van der Waals interactions. The adopted scheme offers the advantage of simulating liquid water at essentially the same computational cost of standard semilocal functionals. Applied to the water dimer and to ice Ih, we find that the hydrogen-bond energy is only slightly enhanced compared to a standard semilocal functional. We simulate liquid water through molecular dynamics in the NpH statistical ensemble allowing for fluctuations of the system density. The structure of the liquid departs from that found with a semilocal functional leading to more compact structural arrangements. This indicates that the directionality of the hydrogen-bond interaction has a diminished role as compared to the overall attractions, as expected when dispersion interactions are accounted for. This is substantiated through a detailed analysis comprising the study of the partial radial distribution functions, various local order indices, the hydrogen-bond network, and the selfdiffusion coefficient. The explicit treatment of the van der Waals interactions leads to an overall improved description of liquid water.

Ground-Water Availability in the Wailuku Area, Maui, Hawai'i

USGS Publications Warehouse

Gingerich, Stephen B.

2008-01-01

Most of the public water supply in Maui, Hawai'i, is from a freshwater lens in the Wailuku area of the island. Because of population growth, ground-water withdrawals from wells in this area increased from less than 10 Mgal/d during 1970 to about 23 Mgal/d during 2006. In response to increased withdrawals from the freshwater lens in the Wailuku area, water levels declined, the transition zone between freshwater and saltwater became shallower, and the chloride concentrations of water pumped from wells increased. These responses led to concern over the long-term sustainability of withdrawals from existing and proposed wells. A three-dimensional numerical ground-water flow and transport model was developed to simulate the effects of selected withdrawal and recharge scenarios on water levels, on the transition zone between freshwater and saltwater, and on surface-water/ground-water interactions. The model was constructed using time-varying recharge, withdrawals, and ocean levels. Hydraulic characteristics used to construct the model were initially based on published estimates but ultimately were varied to obtain better agreement between simulated and measured water levels and salinity profiles in the modeled area during the period 1926-2006. Scenarios included ground-water withdrawal at 2006 and 1996 rates and locations with average recharge (based on 2000-04 land use and 1926-2004 rainfall) and withdrawal at redistributed rates and locations with several different recharge scenarios. Simulation results indicate that continuing 1996 and 2006 withdrawal distributions into the future results in decreased water levels, a thinner freshwater lens, increased salinity from pumped wells, and higher salinity at several current withdrawal sites. A redistributed withdrawal condition in which ground-water withdrawal was redistributed to maximize withdrawal and minimize salinities in the withdrawn water was determined. The redistributed withdrawal simulates 27.1 Mgal/d of withdrawal from 14 wells or well fields in the Wailuku area. Simulation results from the five scenarios that include redistributed withdrawal conditions indicate the following for the Wailuku Aquifer Sector: (1) withdrawal during times of average recharge rates cause average water levels to decrease 2-3 ft and the transition zone to become more than 200 ft shallower after 150 years; (2) a 5-yr drought condition similar to the 1998-2002 drought results in additional salinity increases after 30 years (12.5 years of normal recharge after drought conditions) but only one well has salinity increases of concern; (3) additional recharge from restored streamflow significantly increases water levels, thickens the freshwater body, and decreases salinity at withdrawal sites in the Waihe'e and 'Iao Aquifer Systems; and (4) a complete removal of irrigation recharge decreases water levels and increases salinity in the central isthmus where irrigation is reduced, but recharge through restored streams still significantly increases water levels, thickens the freshwater body, and decreases salinity at withdrawal sites in the Waihe'e and 'Iao Aquifer Systems.

Using Advances in Research on Louisiana Coastal Restoration and Protection to Develop Undergraduate Hydrology Education Experiences Delivered via a Web Interface

NASA Astrophysics Data System (ADS)

Bodin, M.; Habib, E. H.; Meselhe, E. A.; Visser, J.; Chimmula, S.

2014-12-01

Utilizing advances in hydrologic research and technology, learning modules can be developed to deliver visual, case-based, data and simulation driven educational experiences. This paper focuses on the development of web modules based on case studies in Coastal Louisiana, one of three ecosystems that comprise an ongoing hydrology education online system called HydroViz. The Chenier Plain ecosystem in Coastal Louisiana provides an abundance of concepts and scenarios appropriate for use in many undergraduate water resource and hydrology curricula. The modules rely on a set of hydrologic data collected within the Chenier Plain along with inputs and outputs of eco-hydrology and vegetation-change simulation models that were developed to analyze different restoration and protection projects within the 2012 Louisiana Costal Master Plan. The modules begin by investigating the basic features of the basin and it hydrologic characteristics. The eco-hydrology model is then introduced along with its governing equations, numerical solution scheme and how it represents the study domain. Concepts on water budget in a coastal basin are then introduced using the simulation model inputs, outputs and boundary conditions. The complex relationships between salinity, water level and vegetation changes are then investigated through the use of the simulation models and associated field data. Other student activities focus on using the simulation models to evaluate tradeoffs and impacts of actual restoration and protection projects that were proposed as part of 2012 Louisiana Master Plan. The hands-on learning activities stimulate student learning of hydrologic and water management concepts by providing real-world context and opportunity to build fundamental knowledge as well as practical skills. The modules are delivered through a carefully designed user interface using open source and free technologies which enable wide dissemination and encourage adaptation by others.

Numerical simulation of water flow and Nitrate transport through variably saturated porous media in laboratory condition using HYDRUS 2D

NASA Astrophysics Data System (ADS)

Jahangeer, F.; Gupta, P. K.; Yadav, B. K.

2017-12-01

Due to the reducing availability of water resources and the growing competition for water between residential, industrial, and agricultural users, increasing irrigation efficiency, by several methods like drip irrigation, is a demanding concern for agricultural experts. The understanding of the water and contaminants flow through the subsurface is needed for the sustainable irrigation water management, pollution assessment, polluted site remediation and groundwater recharge. In this study, the Windows-based computer software package HYDRUS-2D, which numerically simulates water and solute movement in two-dimensional, variably-saturated porous media, was used to evaluate the distribution of water and Nitrate in the sand tank. The laboratory and simulation experiments were conducted to evaluate the role of drainage, recharge flux, and infiltration on subsurface flow condition and subsequently, on nitrate movement in the subsurface. The water flow in the unsaturated zone model by Richards' equation, which was highly nonlinear and its parameters were largely dependent on the moisture content and pressure head of the partially saturated zone. Following different cases to be considered to evaluate- a) applying drainage and recharge flux to study domains, b) transient infiltration in a vertical soil column and c) subsequently, nitrate transport in 2D sand tank setup. A single porosity model was used for the simulation of water and nitrate flow in the study domain. The results indicate the transient water table position decreases as the time increase significantly by applying drainage flux at the bottom. Similarly, the water table positions in study domains increasing in the domain by applying recharge flux. Likewise, the water flow profile shows the decreasing water table elevation with increasing water content in the vertical domain. Moreover, the nitrate movement was dominated by advective flux and highly affected by the recharge flux in the vertical direction. The findings of the study help to enhance the understanding of the sustainable soil-water resources management and agricultural practices.

The Doubly Labeled Water Method for Measuring Human Energy Expenditure: Adaptations for Spaceflight

NASA Technical Reports Server (NTRS)

Schulz, Leslie O.

1991-01-01

It is essential to determine human energy requirements in space, and the doubly labeled water method has been identified as the most appropriate means of indirect calorimetry to meet this need. The method employs naturally occurring, stable isotopes of hydrogen (H-2, deuterium) and oxygen (O-18) which, after dosing, mix with body water. The deuterium is lost from the body as water while the O-18 is eliminated as both water and CO2. The difference between the two isotope elimination rates is therefore a measure of CO2 production and hence energy expenditure. Spaceflight will present a unique challenge to the application of the doubly labeled water method. Specifically, interpretation of doubly labeled water results assumes that the natural abundance or 'background' levels of the isotopes remain constant during the measurement interval. To address this issue, an equilibration model will be developed in an ongoing ground-based study. As energy requirements of women matched to counterparts in the Astronauts Corps are being determined by doubly labeled water, the baseline isotope concentration will be changed by consumption of 'simulated Shuttle water' which is artificially enriched. One group of subjects will be equilibrated on simulated Shuttle water prior to energy determinations by doubly labeled water while the others will consume simulated Shuttle water after dosing. This process will allow us to derive a prediction equation to mathematically model the effect of changing background isotope concentrations.

The Model of Lake Operation in Water Transfer Projects Based on the Theory of Water- right

NASA Astrophysics Data System (ADS)

Bi-peng, Yan; Chao, Liu; Fang-ping, Tang

the lake operation is a very important content in Water Transfer Projects. The previous studies have not any related to water-right and water- price previous. In this paper, water right is divided into three parts, one is initialization waterright, another is by investment, and the third is government's water- right re-distribution. The water-right distribution model is also build. After analyzing the cost in water transfer project, a model and computation method for the capacity price as well as quantity price is proposed. The model of lake operation in water transfer projects base on the theory of water- right is also build. The simulation regulation for the lake was carried out by using historical data and Genetic Algorithms. Water supply and impoundment control line of the lake was proposed. The result can be used by south to north water transfer projects.

Simulation of ground-water flow in the Coastal Plain aquifer system of North Carolina

USGS Publications Warehouse

Giese, G.I.; Eimers, J.L.; Coble, R.W.

1997-01-01

A three-dimensional finite-difference digital model was used to simulate ground-water flow in the 25,000-square-mile aquifer system of the North Carolina Coastal Plain. The model was developed from a hydrogeologic framework that is based on an alternating sequence of 10 aquifers and 9 confining units, which make up a seaward-thickening wedge of sediments that form the Coastal Plain aquifer system in the State of North Carolina. The model was calibrated by comparing observed and simulated water levels. The model calibration was achieved by adjusting model parameters, primarily leakance of confining units and transmissivity of aquifers, until differences between observed and simulated water levels were within acceptable limits, generally within 15 feet. The maximum transmissivity of an individual aquifer in the calibrated model is 200,000 feet squared per day in a part of the Castle Hayne aquifer, which consists predominantly of limestone. The maximum value for simulated vertical hydraulic conductivity in a confining unit was 2.5 feet per day, in a part of the confining unit overlying the upper Cape Fear aquifer. The minimum value was 4.1x10-6 feet per day, in part of the confining unit overlying the lower Cape Fear aquifer. Analysis indicated the model is highly sensitive to changes in transmissivity and leakance near pumping centers; away from pumping centers, the model is only slightly sensitive to changes in transmissivity but is moderately sensitive to changes in leakance. Recharge from precipitation to the surficial aquifer ranges from about 12 inches per year in areas having clay at the surface to about 20 inches per year in areas having sand at the surface. Most of this recharge moves laterally to streams, and only about 1 inch per year moves downward to the confined parts of the aquifer system. Under predevelopment conditions, the confined aquifers were generally recharged in updip interstream areas and discharged through streambeds and in downdip coastward areas. Hydrologic analysis of the flow system using the calibrated model indicated that, because of ground-water withdrawals, areas of ground-water recharge have expanded and encroached upon some major stream valleys and into coastal area. Simulations of pumping conditions indicate that by 1980 large parts of the former coastal discharge areas had become areas of potential or actual recharge. Declines of ground-water level, which are the result of water taken from storage, are extensive in some areas and minimal in others. Hydraulic head declines of more than 135 feet have occurred in the northern Coastal Plain since 1940 primarily due to withdrawals in the Franklin area in Virginia. Declines of ground-water levels greater than 110 feet have occurred in aquifers in the central Coastal Plain due to combined effects of pumpage for public and industrial water supplies. Water-level declines exceeding 100 feet have occurred in the Beaufort County area because of withdrawals for a mining operation and water supplies for a chemical plant. Head declines have been less than 10 feet in the shallow surficial and Yorktown aquifers and in the updip parts of the major confined aquifers distant from areas of major withdrawals. In 1980, contribution from aquifer storage was 14 cubic feet per second, which is about 4.8 percent of pumpage and about 0.05 percent of ground-water recharge. A water-budget analysis using the model simulations indicates that much of the water removed from the ground-water system by pumping ultimately is made up by a reduction in water leaving the aquifer system, which discharges to streams as base flow. The reduction in stream base flow was 294 cubic feet per second in 1980 and represents about 1.1 percent of the ground-water recharge. The net reduction to streamflow is not large, however, because most pumped ground water is eventually discharged to streams. In places, such as at rock quarries in Onslow and Craven Counties, water is lost from st

Simulation of Variable-Density Ground-Water Flow and Saltwater Intrusion beneath Manhasset Neck, Nassau County, New York, 1905-2005

USGS Publications Warehouse

Monti, Jack; Misut, Paul E.; Busciolano, Ronald J.

2009-01-01

The coastal-aquifer system of Manhasset Neck, Nassau County, New York, has been stressed by pumping, which has led to saltwater intrusion and the abandonment of one public-supply well in 1944. Measurements of chloride concentrations and water levels in 2004 from the deep, confined aquifers indicate active saltwater intrusion in response to public-supply pumping. A numerical model capable of simulating three-dimensional variable-density ground-water flow and solute transport in heterogeneous, anisotropic aquifers was developed using the U.S. Geological Survey finite-element, variable-density, solute-transport simulator SUTRA, to investigate the extent of saltwater intrusion beneath Manhasset Neck. The model is composed of eight layers representing the hydrogeologic system beneath Manhasset Neck. Four modifications to the area?s previously described hydrogeologic framework were made in the model (1) the bedrock-surface altitude at well N12191 was corrected from a previously reported value, (2) part of the extent of the Raritan confining unit was shifted, (3) part of the extent of the North Shore confining unit was shifted, and (4) a clay layer in the upper glacial aquifer was added in the central and southern parts of the Manhasset Neck peninsula. Ground-water flow and the location of the freshwater-saltwater interface were simulated for three conditions (time periods) (1) a steady-state (predevelopment) simulation of no pumping prior to about 1905, (2) a 40-year transient simulation based on 1939 pumpage representing the 1905-1944 period of gradual saltwater intrusion, and (3) a 60-year transient simulation based on 1995 pumpage representing the 1945-2005 period of stabilized withdrawals. The 1939 pumpage rate (12.1 million gallons per day (Mgal/d)) applied to the 1905-1944 transient simulation caused modeled average water-level declines of 2 and 4 feet (ft) in the shallow and deep aquifer systems from predevelopment conditions, respectively, a net decrease of 5.2 Mgal/d in freshwater discharge to offshore areas and a net increase of 6.9 Mgal/d of freshwater entering the model from the eastern, western, and southern lateral boundaries. The 1995 pumpage rate (43.3 Mgal/d) applied to the 1945-2005 transient simulation caused modeled average water-level declines of 5 and 8 ft in the shallow and deep aquifer systems from predevelopment conditions, respectively, a net decrease of 13.2 Mgal/d in freshwater discharge to offshore areas and a net increase of 30.1 Mgal/d of freshwater entering the model from the eastern, western, and southern lateral boundaries. The simulated decrease in freshwater discharge to the offshore areas caused saltwater intrusion in two parts of the deep aquifer system under Manhasset Neck. Saline ground water simulated in a third part of the deep aquifer system under Manhasset Neck was due to the absence of the North Shore confining unit near Sands Point. Simulated chloride concentrations greater than 250 milligrams per liter (mg/L) were used to represent the freshwater-saltwater interface, and the movement of this concentration was evaluated for transient simulations. The decrease in the 1905-1944 simulated freshwater discharge to the offshore areas caused the freshwater-saltwater interface in the deep aquifer system to advance landward more than 1,700 ft from its steady-state position in the vicinity of Baxter Estates Village, Long Island, New York. The decrease in the 1945-2005 simulated freshwater discharge to the offshore areas caused a different area of the freshwater-saltwater interface in the deep aquifer system to advance more than 600 ft from its steady-state position approximately 1 mile south of the Baxter Estates Village. However, the 1945-2005 transient simulation underestimates the concentration and extent of saltwater intrusion determined from water-quality samples collected from wells N12508 and N12793, where measured chloride concentrations increased from 625 and 18 mg/L in 1997 t

Hydrogeology and simulation of ground-water flow at Arnold Air Force Base, Coffee and Franklin counties, Tennessee

USGS Publications Warehouse

Haugh, C.J.; Mahoney, E.N.

1994-01-01

The U.S. Air Force at Arnold Air Force Base (AAFB), in Coffee and Franklin Counties, Tennessee, is investigating ground-water contamination in selected areas of the base. This report documents the results of a comprehensive investigation of the regional hydrogeology of the AAFB area. Three aquifers within the Highland Rim aquifer system, the shallow aquifer, the Manchester aquifer, and the Fort Payne aquifer, have been identified in the study area. Of these, the Manchester aquifer is the primary source of water for domestic use. Drilling and water- quality data indicate that the Chattanooga Shale is an effective confining unit, isolating the Highland Rim aquifer system from the deeper, upper Central Basin aquifer system. A regional ground-water divide, approximately coinciding with the Duck River-Elk River drainage divide, underlies AAFB and runs from southwest to northeast. The general direction of most ground-water flow is to the north- west or to the northwest or to the southeast from the divide towards tributary streams that drain the area. Recharge estimates range from 4 to 11 inches per year. Digital computer modeling was used to simulate and provide a better understanding of the ground-water flow system. The model indicates that most of the ground-water flow occurs in the shallow and Manchester aquifers. The model was most sensitive to increases in hydraulic conductivity and changes in recharge rates. Particle-tracking analysis from selected sites of ground-water contamination indicates a potential for contami- nants to be transported beyond the boundary of AAFB.

Simulation of the effects of development of the ground-water flow system of Long Island, New York

USGS Publications Warehouse

Buxton, Herbert T.; Smolensky, Douglas A.

1999-01-01

Extensive development on Long Island since the late 19th century and projections of increased urbanization and ground-water use makes effective water-resource management essential for preservation of the island's hydrologic environment and maintenance of a reliable source of water supply. This report presents results of a ground-water flow simulation analysis of the effects of development on the Long Island ground-water system. It describes ground-water levels, stream-flow, and the ground-water budget for the predevelopment period (pre-1900), the 1960's drought, and a more recent (1968-83) period with significant hydrologic stress. The report also presents estimated effects of a proposed water-supply strategy for the year 2020. Long Island has three major aquifers-the upper glacial (water-table), the Magothy, and the Lloyd aquifers-that are separated to varying degrees by confining units. Before development, recharge from precipitation entered the ground-water system at a rate of more than 1.1 billion gallons per day. An equal amount discharged to streams (41 percent), the shore (52 percent), and subsea boundaries (7 percent) . Urbanization and withdrawal of more than 400 Mgal/d (million gallons per day) from wells have resulted in local effects that include declines in ground-water levels, drying up and burial of streams and wetlands, reduction of ground-water recharge by increased overland flow to the ocean, a general decrease in ground-water discharge, and salt water intrusion. In some areas, the reduction in recharge is mitigated by leakage from water-supply and wastewater disposal lines, and infiltration of storm water through recharge basins. During 1968-83, a net loss of 240 Mgal/d from the ground-water system caused a decrease in ground-water discharge to streams (135 Mgal/d), to the shore (82 Mgal/d), and to subsea boundaries (23Mgal/d).The greatest adverse effects have been in western Long Island, where the most severe development has occurred. This analysis shows stream base flow to be highly sensitive to water-table fluctuations, and long streams to be more sensitive than short ones. A water-supply scenario for the year 2020 was simulated that employs redistribution of pumping centers to mitigate extreme local effects . Although the net stress on the ground-water system was projected to increase 57 Mgal/d (24 percent) above that of 1968-83, redistribution of ground-water withdrawals across the island would allow recovery of cones of depression in western Long Island, thereby reducing the threat of salt water intrusion and increasing base flow of some streams . The increased stress would cause a net decrease in base flow island wide of 44 Mgal/d; total base flow would be 281 Mgal/d - 39 percent below predevelopment levels or 14 percent below 1968-83 levels. The most severe effects would be in Nassau and western Suffolk Counties.

Numerical Simulation of Ground-Water Flow and Assessment of the Effects of Artificial Recharge in the Rialto-Colton Basin, San Bernardino County, California

USGS Publications Warehouse

Woolfenden, Linda R.; Koczot, Kathryn M.

2001-01-01

The Rialto?Colton Basin, in western San Bernardino County, California, was chosen for storage of imported water because of the good quality of native ground water, the known storage capacity for additional ground-water storage in the basin, and the availability of imported water. To supplement native ground-water resources and offset overdraft conditions in the basin during dry periods, artificial-recharge operations during wet periods in the Rialto?Colton Basin were begun in 1982 to store surplus imported water. Local water purveyors recognized that determining the movement and ultimate disposition of the artificially recharged imported water would require a better understanding of the ground-water flow system. In this study, a finite-difference model was used to simulate ground-water flow in the Rialto?Colton Basin to gain a better understanding of the ground-water flow system and to evaluate the hydraulic effects of artificial recharge of imported water. The ground-water basin was simulated as four horizontal layers representing the river- channel deposits and the upper, middle, and lower water-bearing units. Several flow barriers bordering and internal to the Rialto?Colton Basin influence the direction of ground-water flow. Ground water may flow relatively unrestricted in the shallow parts of the flow system; however, the faults generally become more restrictive at depth. A particle-tracking model was used to simulate advective transport of imported water within the ground-water flow system and to evaluate three artificial-recharge alternatives. The ground-water flow model was calibrated to transient conditions for 1945?96. Initial conditions for the transient-state simulation were established by using 1945 recharge and discharge rates, and assuming no change in storage in the basin. Average hydrologic conditions for 1945?96 were used for the predictive simulations (1997?2027). Ground-water-level measurements made during 1945 were used for comparison with the initial-conditions simulation to determine if there was a reasonable match, and thus reasonable starting heads, for the transient simulation. The comparison between simulated head and measured water levels indicates that, overall, the simulated heads match measured water levels well; the goodness-of-fit value is 0.99. The largest differences between simulated head and measured water level occurred between Barrier H and the Rialto?Colton Fault. Simulated heads near the Santa Ana River and Warm Creek, and simulated heads northwest of Barrier J, generally are within 30 feet of measured water levels and five are within 20 feet. Model-simulated heads were compared with measured long-term changes in hydrographs of composite water levels in selected wells, and with measured short-term changes in hydrographs of water levels in multiple-depth observation wells installed for this project. Simulated hydraulic heads generally matched measured water levels in wells northwest of Barrier J (in the northwestern part of the basin) and in the central part of the basin during 1945?96. In addition, the model adequately simulated water levels in the southeastern part of the basin near the Santa Ana River and Warm Creek and east of an unnamed fault that subparallels the San Jacinto Fault. Simulated heads and measured water levels in the central part of the basin generally are within 10 feet until about 1982?85 when differences become greater. In the northwestern part of the basin southeast of Barrier J, simulated heads were as much as 50 feet higher than measured water levels during 1945?82 but matched measured water levels well after 1982. In the compartment between Barrier H and the Rialto?Colton Fault, simulated heads match well during 1945?82 but are comparatively low during 1982?96. Near the Santa Ana River and Warm Creek, simulated heads generally rose above measured water levels except during 1965?72 when simulated heads compared well with measured water levels. Average

Forecasting the quality of water-suppressed 1 H MR spectra based on a single-shot water scan.

PubMed

Kyathanahally, Sreenath P; Kreis, Roland

2017-08-01

To investigate whether an initial non-water-suppressed acquisition that provides information about the signal-to-noise ratio (SNR) and linewidth is enough to forecast the maximally achievable final spectral quality and thus inform the operator whether the foreseen number of averages and achieved field homogeneity is adequate. A large range of spectra with varying SNR and linewidth was simulated and fitted with popular fitting programs to determine the dependence of fitting errors on linewidth and SNR. A tool to forecast variance based on a single acquisition was developed and its performance evaluated on simulated and in vivo data obtained at 3 Tesla from various brain regions and acquisition settings. A strong correlation to real uncertainties in estimated metabolite contents was found for the forecast values and the Cramer-Rao lower bounds obtained from the water-suppressed spectra. It appears to be possible to forecast the best-case errors associated with specific metabolites to be found in model fits of water-suppressed spectra based on a single water scan. Thus, nonspecialist operators will be able to judge ahead of time whether the planned acquisition can possibly be of sufficient quality to answer the targeted clinical question or whether it needs more averages or improved shimming. Magn Reson Med 78:441-451, 2017. © 2016 International Society for Magnetic Resonance in Medicine. © 2016 International Society for Magnetic Resonance in Medicine.

High resolution modelling of extreme precipitation events in urban areas

NASA Astrophysics Data System (ADS)

Siemerink, Martijn; Volp, Nicolette; Schuurmans, Wytze; Deckers, Dave

2015-04-01

The present day society needs to adjust to the effects of climate change. More extreme weather conditions are expected, which can lead to longer periods of drought, but also to more extreme precipitation events. Urban water systems are not designed for such extreme events. Most sewer systems are not able to drain the excessive storm water, causing urban flooding. This leads to high economic damage. In order to take appropriate measures against extreme urban storms, detailed knowledge about the behaviour of the urban water system above and below the streets is required. To investigate the behaviour of urban water systems during extreme precipitation events new assessment tools are necessary. These tools should provide a detailed and integral description of the flow in the full domain of overland runoff, sewer flow, surface water flow and groundwater flow. We developed a new assessment tool, called 3Di, which provides detailed insight in the urban water system. This tool is based on a new numerical methodology that can accurately deal with the interaction between overland runoff, sewer flow and surface water flow. A one-dimensional model for the sewer system and open channel flow is fully coupled to a two-dimensional depth-averaged model that simulates the overland flow. The tool uses a subgrid-based approach in order to take high resolution information of the sewer system and of the terrain into account [1, 2]. The combination of using the high resolution information and the subgrid based approach results in an accurate and efficient modelling tool. It is now possible to simulate entire urban water systems using extreme high resolution (0.5m x 0.5m) terrain data in combination with a detailed sewer and surface water network representation. The new tool has been tested in several Dutch cities, such as Rotterdam, Amsterdam and The Hague. We will present the results of an extreme precipitation event in the city of Schiedam (The Netherlands). This city deals with significant soil consolidation and the low-lying areas are prone to urban flooding. The simulation results are compared with measurements in the sewer network. References [1] Guus S. Stelling G.S., 2012. Quadtree flood simulations with subgrid digital elevation models. Water Management 165 (WM1):1329-1354. [2] Vincenzo Cassuli and Guus S. Stelling, 2013. A semi-implicit numerical model for urban drainage systems. International Journal for Numerical Methods in Fluids. Vol. 73:600-614. DOI: 10.1002/fld.3817

Performance of MDockPP in CAPRI rounds 28-29 and 31-35 including the prediction of water-mediated interactions.

PubMed

Xu, Xianjin; Qiu, Liming; Yan, Chengfei; Ma, Zhiwei; Grinter, Sam Z; Zou, Xiaoqin

2017-03-01

Protein-protein interactions are either through direct contacts between two binding partners or mediated by structural waters. Both direct contacts and water-mediated interactions are crucial to the formation of a protein-protein complex. During the recent CAPRI rounds, a novel parallel searching strategy for predicting water-mediated interactions is introduced into our protein-protein docking method, MDockPP. Briefly, a FFT-based docking algorithm is employed in generating putative binding modes, and an iteratively derived statistical potential-based scoring function, ITScorePP, in conjunction with biological information is used to assess and rank the binding modes. Up to 10 binding modes are selected as the initial protein-protein complex structures for MD simulations in explicit solvent. Water molecules near the interface are clustered based on the snapshots extracted from independent equilibrated trajectories. Then, protein-ligand docking is employed for a parallel search for water molecules near the protein-protein interface. The water molecules generated by ligand docking and the clustered water molecules generated by MD simulations are merged, referred to as the predicted structural water molecules. Here, we report the performance of this protocol for CAPRI rounds 28-29 and 31-35 containing 20 valid docking targets and 11 scoring targets. In the docking experiments, we predicted correct binding modes for nine targets, including one high-accuracy, two medium-accuracy, and six acceptable predictions. Regarding the two targets for the prediction of water-mediated interactions, we achieved models ranked as "excellent" in accordance with the CAPRI evaluation criteria; one of these two targets is considered as a difficult target for structural water prediction. Proteins 2017; 85:424-434. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Ethoprophos fate on soil-water interface and effects on non-target terrestrial and aquatic biota under Mediterranean crop-based scenarios.

PubMed

Leitão, Sara; Moreira-Santos, Matilde; Van den Brink, Paul J; Ribeiro, Rui; José Cerejeira, M; Sousa, José Paulo

2014-05-01

The present study aimed to assess the environmental fate of the insecticide and nematicide ethoprophos in the soil-water interface following the pesticide application in simulated maize and potato crops under Mediterranean agricultural conditions, particularly of irrigation. Focus was given to the soil-water transfer pathways (leaching and runoff), to the pesticide transport in soil between pesticide application (crop row) and non-application areas (between crop rows), as well as to toxic effects of the various matrices on terrestrial and aquatic biota. A semi-field methodology mimicking a "worst-case" ethoprophos application (twice the recommended dosage for maize and potato crops: 100% concentration v/v) in agricultural field situations was used, in order to mimic a possible misuse by the farmer under realistic conditions. A rainfall was simulated under a slope of 20° for both crop-based scenarios. Soil and water samples were collected for the analysis of pesticide residues. Ecotoxicity of soil and aquatic samples was assessed by performing lethal and sublethal bioassays with organisms from different trophic levels: the collembolan Folsomia candida, the earthworm Eisenia andrei and the cladoceran Daphnia magna. Although the majority of ethoprophos sorbed to the soil application area, pesticide concentrations were detected in all water matrices illustrating pesticide transfer pathways of water contamination between environmental compartments. Leaching to groundwater proved to be an important transfer pathway of ethoprophos under both crop-based scenarios, as it resulted in high pesticide concentration in leachates from Maize (130µgL(-1)) and Potato (630µgL(-1)) crop scenarios, respectively. Ethoprophos application at the Potato crop scenario caused more toxic effects on terrestrial and aquatic biota than at the Maize scenario at the recommended dosage and lower concentrations. In both crop-based scenarios, ethoprophos moved with the irrigation water flow to the soil between the crop rows where no pesticide was applied, causing toxic effects on terrestrial organisms. The two simulated agricultural crop-based scenarios had the merit to illustrate the importance of transfer pathways of pesticides from soil to groundwater through leaching and from crop rows to the surrounding soil areas in a soil-water interface environment, which is representative for irrigated agricultural crops under Mediterranean conditions. Copyright © 2014 Elsevier Inc. All rights reserved.

A watershed model to integrate EO data

NASA Astrophysics Data System (ADS)

Jauch, Eduardo; Chambel-Leitao, Pedro; Carina, Almeida; Brito, David; Cherif, Ines; Alexandridis, Thomas; Neves, Ramiro

2013-04-01

MOHID LAND is a open source watershed model developed by MARETEC and is part of the MOHID Framework. It integrates four mediums (or compartments): porous media, surface, rivers and atmosphere. The movement of water between these mediums are based on mass and momentum balance equations. The atmosphere medium is not explicity simulated. Instead, it's used as boundary condition to the model through meteorological properties: precipitation, solar radiation, wind speed/direction, relative humidity and air temperature. The surface medium includes the overland runoff and vegetation growth processes and is simulated using a 2D grid. The porous media includes both the unsaturated (soil) and saturated zones (aquifer) and is simulated using a 3D grid. The river flow is simulated through a 1D drainage network. All these mediums are linked through evapotranspiration and flow exchanges (infiltration, river-soil growndwater flow, surface-river overland flow). Besides the water movement, it is also possible to simulate water quality processes and solute/sediment transport. Model setup include the definition of the geometry and the properties of each one of its compartments. After the setup of the model, the only continuous input data that MOHID LAND requires are the atmosphere properties (boundary conditions) that can be provided as timeseries or spacial data. MOHID LAND has been adapted the last 4 years under FP7 and ESA projects to integrate Earth Observation (EO) data, both variable in time and in space. EO data can be used to calibrate/validate or as input/assimilation data to the model. The currently EO data used include LULC (Land Use Land Cover) maps, LAI (Leaf Area Index) maps, EVTP (Evapotranspiration) maps and SWC (Soil Water Content) maps. Model results are improved by the EO data, but the advantage of this integration is that the model can still run without the EO data. This means that model do not stop due to unavailability of EO data and can run on a forecast mode. The LCLU maps are coupled with a database that transforms land use into model properties through lookup tables. The LAI maps, usually based on NDVI satellite images, can be used directly as input to the model. When the vegetation growth is being simulated, the use of a LAI distributed in space improve the model results, by improving, for example, the estimated evapotranspiration, the estimated values of biomass, the nutrient uptake, etc. MOHID LAND calculates a Reference Evapotranspiration (rEVTP), based on the meteorological properties. The Actual Evapotranspiration (aEVTP) is then computed based on vegetation transpiration, soil evaporation and the available water in soil. Alternatively, EO derived maps of EVTP can be used as input to the model, in the place of the rEVTP, or even in the place of the aEVTP, both being provided as boundary condition. The same can be done with SWC maps, that can be used to initialize the model soil water content. The integration of EO data with MOHID LAND was tested and is being continuously developed and applied for support farmers and to help water managers to improve the water management.

A digital-computer model of the Big Sioux aquifer in Minnehaha County, South Dakota

USGS Publications Warehouse

Koch, N.C.

1982-01-01

A finite-difference digital model was used to simulate steady-state conditions of the Big Sioux aquifer in Minnehaha County. Average water levels and average base flow discharge (4.9 cu ft/s) of the Big Sioux River were based on data from 1970 through 1979. The computer model was calibrated for transient conditions by simulating monthly historic conditions for 1976. During 1976, pumpage was offset mostly by surface-water recharge to the aquifer from January through June and ground-water discharge from storage from July through December. Measured drawdowns during 1976 generally were less than 2 feet except in the Sioux Falls city well field where drawdowns were as much as 15 feet. The model was used to study the effects of increased withdrawals under three hypothetical hydrologic situations. One hypothetical situation consisted of using 1976 pumping rates, recharge, and evapotranspiration but the Big Sioux River dry. The pumping rate after 16 months was decreased by 40 percent from the actual pumping rate for that month in order to complete the monthly simulation without the storage being depleted at a nodal area. The second hypothetical situation consisted of a pumpage rate of 44.4 cubic feet per second from 60 wells spaced throughout the aquifer under historic 1976 hydrologic conditions. The results were that the aquifer could supply the additional withdrawal. The third hypothetical situation used the same hydrologic conditions as the second except that recharge was zero and the Big Sioux River was dry downstream from row 54. After 18 monthly simulations, the pumping rate was decreased by 44 percent to prevent pumping wells from depleting the aquifer, and, at that rate, 63 percent of the water being pumped was being replaced by water from the river. (USGS)

Comparison of model performance and simulated water balance using NASIM and SWAT for the Wupper River Basin, Germany

NASA Astrophysics Data System (ADS)

Lorza, Paula; Nottebohm, Martin; Scheibel, Marc; aus der Beek, Tim

2017-04-01

Under the framework of the Horizon 2020 project BINGO (Bringing INnovation to onGOing water management), climate change impacts on the water cycle in the Wupper catchment area are being studied. With this purpose, a set of hydrological models in NASIM and SWAT have been set up, calibrated, and validated for past conditions using available data. NASIM is a physically-based, lumped, hydrological model based on the water balance equation. For the upper part of the Dhünn catchment area - Wupper River's main tributary - a SWAT model was also implemented. Observed and simulated discharge by NASIM and SWAT for the drainage area upstream of Neumühle hydrometric station (close to Große Dhünn reservoir's inlet) are compared. Comparison of simulated water balance for several hydrological years between the two models is also carried out. While NASIM offers high level of detail for modelling of complex urban areas and the possibility of entering precipitation time series at fine temporal resolution (e.g. minutely data), SWAT enables to study long-term impacts offering a huge variety of input and output variables including different soil properties, vegetation and land management practices. Beside runoff, also sediment and nutrient transport can be simulated. For most calculations, SWAT operates on a daily time step. The objective of this and future work is to determine catchment responses on different meteorological events and to study parameter sensitivity of stationary inputs such as soil parameters, vegetation or land use. Model performance is assessed with different statistical metrics (relative volume error, coefficient of determination, and Nash-Sutcliffe Efficiency).

Toward ab initio molecular dynamics modeling for sum-frequency generation spectra; an efficient algorithm based on surface-specific velocity-velocity correlation function.

PubMed

Ohto, Tatsuhiko; Usui, Kota; Hasegawa, Taisuke; Bonn, Mischa; Nagata, Yuki

2015-09-28

Interfacial water structures have been studied intensively by probing the O-H stretch mode of water molecules using sum-frequency generation (SFG) spectroscopy. This surface-specific technique is finding increasingly widespread use, and accordingly, computational approaches to calculate SFG spectra using molecular dynamics (MD) trajectories of interfacial water molecules have been developed and employed to correlate specific spectral signatures with distinct interfacial water structures. Such simulations typically require relatively long (several nanoseconds) MD trajectories to allow reliable calculation of the SFG response functions through the dipole moment-polarizability time correlation function. These long trajectories limit the use of computationally expensive MD techniques such as ab initio MD and centroid MD simulations. Here, we present an efficient algorithm determining the SFG response from the surface-specific velocity-velocity correlation function (ssVVCF). This ssVVCF formalism allows us to calculate SFG spectra using a MD trajectory of only ∼100 ps, resulting in the substantial reduction of the computational costs, by almost an order of magnitude. We demonstrate that the O-H stretch SFG spectra at the water-air interface calculated by using the ssVVCF formalism well reproduce those calculated by using the dipole moment-polarizability time correlation function. Furthermore, we applied this ssVVCF technique for computing the SFG spectra from the ab initio MD trajectories with various density functionals. We report that the SFG responses computed from both ab initio MD simulations and MD simulations with an ab initio based force field model do not show a positive feature in its imaginary component at 3100 cm(-1).

Improving simulations of snow water equivalent and total water storage changes over the Upper Yangtze River basin using multi-source remote sensing data

NASA Astrophysics Data System (ADS)

Han, P.; Long, D.

2017-12-01

Snow water equivalent (SWE) and total water storage (TWS) changes are important hydrological state variables over cryospheric regions, such as China's Upper Yangtze River (UYR) basin. Accurate simulation of these two state variables plays a critical role in understanding hydrological processes over this region and, in turn, benefits water resource management, hydropower development, and ecological integrity over the lower reaches of the Yangtze River, one of the largest rivers globally. In this study, an improved CREST model coupled with a snow and glacier melting module was used to simulate SWE and TWS changes over the UYR, and to quantify contributions of snow and glacier meltwater to the total runoff. Forcing, calibration, and validation data are mainly from multi-source remote sensing observations, including satellite-based precipitation estimates, passive microwave remote sensing-based SWE, and GRACE-derived TWS changes, along with streamflow measurements at the Zhimenda gauging station. Results show that multi-source remote sensing information can be extremely valuable in model forcing, calibration, and validation over the poorly gauged region. The simulated SWE and TWS changes and the observed counterparts are highly consistent, showing NSE coefficients higher than 0.8. The results also show that the contributions of snow and glacier meltwater to the total runoff are 8% and 6%, respectively, during the period 2003‒2014, which is an important source of runoff. Moreover, from this study, the TWS is found to increase at a rate of 5 mm/a ( 0.72 Gt/a) for the period 2003‒2014. The snow melting module may overestimate SWE for high precipitation events and was improved in this study. Key words: CREST model; Remote Sensing; Melting model; Source Region of the Yangtze River