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.

Reservoir-development impacts on surface-water quantity and quality in the Yampa River basin, Colorado and Wyoming

USGS Publications Warehouse

Adams, D. Briane; Bauer, Daniel P.; Dale, Robert H.; Steele, Timothy Doak

1983-01-01

Development of coal resources and associated economy is accelerating in the Yampa River basin in northwestern Colorado and south-central Wyoming. Increased use of the water resources of the area will have a direct impact on their quantity and quality. As part of 18 surface-water projects, 35 reservoirs have been proposed with a combined total storage of 2.18 million acre-feet, 41% greater than the mean annual outflow from the basin. Three computer models were used to demonstrate methods of evaluating future impacts of reservoir development in the Yampa River basin. Four different reservoir configurations were used to simulate the effects of different degrees of proposed reservoir development. A multireservoir-flow model included both within-basin and transmountain diversions. Simulations indicated that in many cases diversion amounts would not be available for either type of diversion. A corresponding frequency analysis of reservoir storage levels indicated that most reservoirs would be operating with small percentages of total capacities and generally with less than 20% of conservation-pool volumes. Simulations using a dissolved-solids model indicated that extensive reservoir development could increase average annual concentrations at most locations. Simulations using a single-reservoir model indicated no significant occurrence of water-temperature stratification in most reservoirs due to limited reservoir storage. (USGS)

Global Water Cycle Agreement in the Climate Models Assessed in the IPCC AR4

NASA Technical Reports Server (NTRS)

Waliser, D.; Seo, K. -W.; Schubert, S.; Njoku, E.

2007-01-01

This study examines the fidelity of the global water cycle in the climate model simulations assessed in the IPCC Fourth Assessment Report. The results demonstrate good model agreement in quantities that have had a robust global observational basis and that are physically unambiguous. The worst agreement occurs for quantities that have both poor observational constraints and whose model representations can be physically ambiguous. In addition, components involving water vapor (frozen water) typically exhibit the best (worst) agreement, and fluxes typically exhibit better agreement than reservoirs. These results are discussed in relation to the importance of obtaining accurate model representation of the water cycle and its role in climate change. Recommendations are also given for facilitating the needed model improvements.

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.

[Review on HSPF model for simulation of hydrology and water quality processes].

PubMed

Li, Zhao-fu; Liu, Hong-Yu; Li, Yan

2012-07-01

Hydrological Simulation Program-FORTRAN (HSPF), written in FORTRAN, is one ol the best semi-distributed hydrology and water quality models, which was first developed based on the Stanford Watershed Model. Many studies on HSPF model application were conducted. It can represent the contributions of sediment, nutrients, pesticides, conservatives and fecal coliforms from agricultural areas, continuously simulate water quantity and quality processes, as well as the effects of climate change and land use change on water quantity and quality. HSPF consists of three basic application components: PERLND (Pervious Land Segment) IMPLND (Impervious Land Segment), and RCHRES (free-flowing reach or mixed reservoirs). In general, HSPF has extensive application in the modeling of hydrology or water quality processes and the analysis of climate change and land use change. However, it has limited use in China. The main problems with HSPF include: (1) some algorithms and procedures still need to revise, (2) due to the high standard for input data, the accuracy of the model is limited by spatial and attribute data, (3) the model is only applicable for the simulation of well-mixed rivers, reservoirs and one-dimensional water bodies, it must be integrated with other models to solve more complex problems. At present, studies on HSPF model development are still undergoing, such as revision of model platform, extension of model function, method development for model calibration, and analysis of parameter sensitivity. With the accumulation of basic data and imorovement of data sharing, the HSPF model will be applied more extensively in China.

Simulated effects of irrigation on salinity in the Arkansas River Valley in Colorado

USGS Publications Warehouse

Goff, K.; Lewis, M.E.; Person, M.A.; Konikow, Leonard F.

1998-01-01

Agricultural irrigation has a substantial impact on water quantity and quality in the lower Arkansas River valley of southeastern Colorado. A two-dimensional flow and solute transport model was used to evaluate the potential effects of changes in irrigation on the quantity and quality of water in the alluvial aquifer and in the Arkansas River along an 17.7 km reach of the fiver. The model was calibrated to aquifer water level and dissolved solids concentration data collected throughout the 24 year study period (197195). Two categories of irrigation management were simulated with the calibrated model: (1) a decrease in ground water withdrawals for irrigation; and (2) cessation of all irrigation from ground water and surface water sources. In the modeled category of decreased irrigation from ground water pumping, there was a resulting 6.9% decrease in the average monthly ground water salinity, a 0.6% decrease in average monthly river salinity, and an 11.1% increase in ground water return flows to the river. In the modeled category of the cessation of all irrigation, average monthly ground water salinity decreased by 25%; average monthly river salinity decreased by 4.4%; and ground water return flows to the river decreased by an average of 64%. In all scenarios, simulated ground water salinity decreased relative to historical conditions for about 12 years before reaching a new dynamic equilibrium condition. Aquifer water levels were not sensitive to any of the modeled scenarios. These potential changes in salinity could result in improved water quality for irrigation purposes downstream from the affected area.

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...

Hydrology and water quality of a field and riparian buffer adjacent to a mangrove wetland in Jobos Bay Watershed, Puerto Rico

USDA-ARS?s Scientific Manuscript database

Models that estimate the effects of agricultural conservation practices on water quantity and quality have become increasingly important tools for short- and long-term assessments. In this study, we simulated the water quality and hydrology of a portion of the Jobos Bay watershed, Puerto Rico using...

An integrated model of water resources optimization allocation based on projection pursuit model - Grey wolf optimization method in a transboundary river basin

NASA Astrophysics Data System (ADS)

Yu, Sen; Lu, Hongwei

2018-04-01

Under the effects of global change, water crisis ranks as the top global risk in the future decade, and water conflict in transboundary river basins as well as the geostrategic competition led by it is most concerned. This study presents an innovative integrated PPMGWO model of water resources optimization allocation in a transboundary river basin, which is integrated through the projection pursuit model (PPM) and Grey wolf optimization (GWO) method. This study uses the Songhua River basin and 25 control units as examples, adopting the PPMGWO model proposed in this study to allocate the water quantity. Using water consumption in all control units in the Songhua River basin in 2015 as reference to compare with optimization allocation results of firefly algorithm (FA) and Particle Swarm Optimization (PSO) algorithms as well as the PPMGWO model, results indicate that the average difference between corresponding allocation results and reference values are 0.195 bil m3, 0.151 bil m3, and 0.085 bil m3, respectively. Obviously, the average difference of the PPMGWO model is the lowest and its optimization allocation result is closer to reality, which further confirms the reasonability, feasibility, and accuracy of the PPMGWO model. And then the PPMGWO model is adopted to simulate allocation of available water quantity in Songhua River basin in 2018, 2020, and 2030. The simulation results show water quantity which could be allocated in all controls demonstrates an overall increasing trend with reasonable and equal exploitation and utilization of water resources in the Songhua River basin in future. In addition, this study has a certain reference value and application meaning to comprehensive management and water resources allocation in other transboundary river basins.

A Water Rich Mars Surface Mission Scenario

NASA Technical Reports Server (NTRS)

Hoffman, Stephen J.; Andrews, Alida; Joosten, B. Kent; Watts, Kevin

2017-01-01

In an on-going effort to make human Mars missions more affordable and sustainable, NASA continues to investigate the innovative leveraging of technological advances in conjunction with the use of accessible Martian resources directly applicable to these missions. One of the resources with the broadest utility for human missions is water. Many past studies of human Mars missions assumed a complete lack of water derivable from local sources. However, recent advances in our understanding of the Martian environment provides growing evidence that Mars may be more "water rich" than previously suspected. This is based on data indicating that substantial quantities of water are mixed with surface regolith, bound in minerals located at or near the surface, and buried in large glacier-like forms. This paper describes an assessment of what could be done in a "water rich" human Mars mission scenario. A description of what is meant by "water rich" in this context is provided, including a quantification of the water that would be used by crews in this scenario. The different types of potential feedstock that could be used to generate these quantities of water are described, drawing on the most recently available assessments of data being returned from Mars. This paper specifically focuses on sources that appear to be buried quantities of water ice. (An assessment of other potential feedstock materials is documented in another paper.) Technologies and processes currently used in terrestrial Polar Regions are reviewed. One process with a long history of use on Earth and with potential application on Mars - the Rodriguez Well - is described and results of an analysis simulating the performance of such a well on Mars are presented. These results indicate that a Rodriguez Well capable of producing the quantities of water identified for a "water rich" human mission are within the capabilities assumed to be available on the Martian surface, as envisioned in other comparable Evolvable Mars Campaign assessments. The paper concludes by capturing additional findings and describing additional simulations and tests that should be conducted to better characterize the performance of the identified terrestrial technologies for accessing subsurface ice, as well as the Rodriguez Well, under Mars environmental conditions.

A Water Rich Mars Surface Mission Scenario

NASA Technical Reports Server (NTRS)

Hoffman, Stephen J.; Andrews, Alida; Joosten, B. Kent; Watts, Kevin

2017-01-01

In an on-going effort to make human Mars missions more affordable and sustainable, NASA continues to investigate the innovative leveraging of technological advances in conjunction with the use of accessible Martian resources directly applicable to these missions. One of the resources with the broadest utility for human missions is water. Many past studies of human Mars missions assumed a complete lack of water derivable from local sources. However, recent advances in our understanding of the Martian environment provides growing evidence that Mars may be more "water rich" than previously suspected. This is based on data indicating that substantial quantities of water are mixed with surface regolith, bound in minerals located at or near the surface, and buried in large glacier-like forms. This paper describes an assessment of what could be done in a "water rich" human Mars mission scenario. A description of what is meant by "water rich" in this context is provided, including a quantification of the water that would be used by crews in this scenario. The different types of potential feedstock that could be used to generate these quantities of water are described, drawing on the most recently available assessments of data being returned from Mars. This paper specifically focuses on sources that appear to be buried quantities of water ice. (An assessment of other potential feedstock materials is documented in another paper.) Technologies and processes currently used in terrestrial polar regions is reviewed. One process with a long history of use on Earth and with potential application on Mars - the Rodriguez Well - is described and results of an analysis simulating the performance of such a well on Mars are presented. These results indicate that a Rodriguez Well capable of producing the quantities of water identified for a "water rich" human mission are within the capabilities assumed to be available on the Martian surface, as envisioned in other comparable Evolvable Mars Campaign assessments. The paper concludes by capturing additional findings and describing additional simulations and tests that should be conducted to better characterize the performance of the identified terrestrial technologies for accessing subsurface ice, as well as the Rodriguez Well, under Mars environmental conditions.

Simulation of Management Effect on Runoff and Sediment Transport in Riparian Forest Buffers by APEX Model

USDA-ARS?s Scientific Manuscript database

Hydrologic/water quality models are increasingly used to explore management and policy alternatives for managing water quality and quantity from intensive silvicultural practices with Best Management Practices (BMPs) in forested watersheds due to the limited number of studies and the cost of conduct...

Methodology for assessing quantities of water and proppant injection, and water production associated with development of continuous petroleum accumulations

USGS Publications Warehouse

Haines, Seth S.

2015-07-13

The quantities of water and hydraulic fracturing proppant required for producing petroleum (oil, gas, and natural gas liquids) from continuous accumulations, and the quantities of water extracted during petroleum production, can be quantitatively assessed using a probabilistic approach. The water and proppant assessment methodology builds on the U.S. Geological Survey methodology for quantitative assessment of undiscovered technically recoverable petroleum resources in continuous accumulations. The U.S. Geological Survey assessment methodology for continuous petroleum accumulations includes fundamental concepts such as geologically defined assessment units, and probabilistic input values including well-drainage area, sweet- and non-sweet-spot areas, and success ratio within the untested area of each assessment unit. In addition to petroleum-related information, required inputs for the water and proppant assessment methodology include probabilistic estimates of per-well water usage for drilling, cementing, and hydraulic-fracture stimulation; the ratio of proppant to water for hydraulic fracturing; the percentage of hydraulic fracturing water that returns to the surface as flowback; and the ratio of produced water to petroleum over the productive life of each well. Water and proppant assessments combine information from recent or current petroleum assessments with water- and proppant-related input values for the assessment unit being studied, using Monte Carlo simulation, to yield probabilistic estimates of the volume of water for drilling, cementing, and hydraulic fracture stimulation; the quantity of proppant for hydraulic fracture stimulation; and the volumes of water produced as flowback shortly after well completion, and produced over the life of the well.

Urban Stormwater Management Model and Tools for Designing Stormwater Management of Green Infrastructure Practices

NASA Astrophysics Data System (ADS)

Haris, H.; Chow, M. F.; Usman, F.; Sidek, L. M.; Roseli, Z. A.; Norlida, M. D.

2016-03-01

Urbanization is growing rapidly in Malaysia. Rapid urbanization has known to have several negative impacts towards hydrological cycle due to decreasing of pervious area and deterioration of water quality in stormwater runoff. One of the negative impacts of urbanization is the congestion of the stormwater drainage system and this situation leading to flash flood problem and water quality degradation. There are many urban stormwater management softwares available in the market such as Storm Water Drainage System design and analysis program (DRAINS), Urban Drainage and Sewer Model (MOUSE), InfoWorks River Simulation (InfoWork RS), Hydrological Simulation Program-Fortran (HSPF), Distributed Routing Rainfall-Runoff Model (DR3M), Storm Water Management Model (SWMM), XP Storm Water Management Model (XPSWMM), MIKE-SWMM, Quality-Quantity Simulators (QQS), Storage, Treatment, Overflow, Runoff Model (STORM), and Hydrologic Engineering Centre-Hydrologic Modelling System (HEC-HMS). In this paper, we are going to discuss briefly about several softwares and their functionality, accessibility, characteristics and components in the quantity analysis of the hydrological design software and compare it with MSMA Design Aid and Database. Green Infrastructure (GI) is one of the main topics that has widely been discussed all over the world. Every development in the urban area is related to GI. GI can be defined as green area build in the develop area such as forest, park, wetland or floodway. The role of GI is to improve life standard such as water filtration or flood control. Among the twenty models that have been compared to MSMA SME, ten models were selected to conduct a comprehensive review for this study. These are known to be widely accepted by water resource researchers. These ten tools are further classified into three major categories as models that address the stormwater management ability of GI in terms of quantity and quality, models that have the capability of conducting the economic analysis of GI and models that can address both stormwater management and economic aspects together.

Simulation of soluble waste transport and buildup in surface waters using tracers

USGS Publications Warehouse

Kilpatrick, F.A.

1993-01-01

Soluble tracers can be used to simulate the transport and dispersion of soluble wastes that might have been introduced or are planned for introduction into surface waters. Measured tracer-response curves produced from the injection of a known quantity of soluble tracer can be used in conjunction with the superposition principle to simulate potential waste buildup in streams, lakes, and estuaries. Such information is particularly valuable to environmental and water-resource planners in determining the effects of proposed waste discharges. The theory, techniques, analysis, and presentation of results of tracer-waste simulation tests in rivers, lakes, and estuaries are described. This manual builds on other manuals dealing with dye tracing by emphasizing the expanded use of data from time-of-travel studies.

Simulation of soluble waste transport and buildup in surface waters using tracers

USGS Publications Warehouse

Kilpatrick, Frederick A.

1992-01-01

Soluble tracers can be used to simulate the transport and dispersion of soluble wastes that might have been introduced or are planned for introduction into surface waters. Measured tracer-response curves produced from the injection of a known quantity of soluble tracer can be used in conjunction with the superposition principle to simulate potential waste buildup in streams, lakes, and estuaries. Such information is particularly valuable to environmental and water-resource planners in determining the effects of proposed waste discharges.The theory, techniques, analysis, and presentation of results of tracer-waste simulation tests in rivers, lakes, and estuaries are described. This manual builds on other manuals on dye tracing with emphasis on the expanded use of time-of-travel type data.

Simulated effects of ground-water management scenarios on the Santa Fe group aquifer system, Middle Rio Grande Basin, New Mexico, 2001-40

USGS Publications Warehouse

Bexfield, Laura M.; McAda, Douglas P.

2003-01-01

Future conditions in the Santa Fe Group aquifer system through 2040 were simulated using the most recent revision of the U.S. Geological Survey groundwater- flow model for the Middle Rio Grande Basin. Three simulations were performed to investigate the likely effects of different scenarios of future groundwater pumping by the City of Albuquerque on the ground-water system. For simulation I, pumping was held constant at known year-2000 rates. For simulation II, pumping was increased to simulate the use of pumping to meet all projected city water demand through 2040. For simulation III, pumpingwas reduced in accordance with a plan by the City of Albuquerque to use surfacewater to meet most of the projectedwater demand. The simulations indicate that for each of the three pumping scenarios, substantial additional watertable declines would occur in some areas of the basin through 2040. However, the reduced pumping scenario of simulation III also results in water-table rise over a broad area of the city. All three scenarios indicate that the contributions of aquifer storage and river leakage to the ground-water system would change between 2000 and 2040. Comparisons among the results for simulations I, II, and III indicate that the various pumping scenarios have substantially different effects on water-level declines in the Albuquerque area and on the contribution of each water-budget component to the total budget for the ground-water system. Between 2000 and 2040, water-level declines for continued pumping at year-2000 rates are as much as 120 feet greater than for reduced pumping; water-level declines for increased pumping to meet all projected city demand are as much as 160 feet greater. Over the same time period, reduced pumping results in retention in aquifer storage of about 1,536,000 acre-feet of ground water as compared with continued pumping at year- 2000 rates and of about 2,257,000 acre-feet as compared with increased pumping. The quantity of water retained in the Rio Grande as a result of reduced pumping and the associated decrease in induced recharge from the river is about 731,000 acre-feet as compared with continued pumping at year-2000 rates and about 872,000 acre-feet as compared with increased pumping. Reduced pumping results in slight increases in the quantity of water lost from the groundwater system to evapotranspiration and agriculturaldrain flow compared with the other pumping scenarios.

Removing the barrier to the calculation of activation energies: Diffusion coefficients and reorientation times in liquid water.

PubMed

Piskulich, Zeke A; Mesele, Oluwaseun O; Thompson, Ward H

2017-10-07

General approaches for directly calculating the temperature dependence of dynamical quantities from simulations at a single temperature are presented. The method is demonstrated for self-diffusion and OH reorientation in liquid water. For quantities which possess an activation energy, e.g., the diffusion coefficient and the reorientation time, the results from the direct calculation are in excellent agreement with those obtained from an Arrhenius plot. However, additional information is obtained, including the decomposition of the contributions to the activation energy. These results are discussed along with prospects for additional applications of the direct approach.

Proximity functions for electrons up to 10 keV

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

Chmelevsky, D.; Kellerer, A.M.; Terrissol, M.

1980-11-01

Proximity functions for electrons up to 10 keV in water are computed from simulated particle tracks. Numerical results are given for the differential functions t(x) and the integral functions T(x). Basic characteristics of these functions and their connections to other microdosimetric quantities are considered. As an example of the applicability of the proximity functions, the quantity y/sub D/ for spheres is derived from t(x).

Impact of length of calibration period on the APEX model water quantity and quality simulation performance

USDA-ARS?s Scientific Manuscript database

Availability of continuous long-term measured data for model calibration and validation is limited due to time and resources constraints. As a result, hydrologic and water quality models are calibrated and, if possible, validated when measured data is available. Past work reported on the impact of t...

Investigation of polarization effects in the gramicidin A channel from ab initio molecular dynamics simulations.

PubMed

Timko, Jeff; Kuyucak, Serdar

2012-11-28

Polarization is an important component of molecular interactions and is expected to play a particularly significant role in inhomogeneous environments such as pores and interfaces. Here we investigate the effects of polarization in the gramicidin A ion channel by performing quantum mechanics/molecular mechanics molecular dynamics (MD) simulations and comparing the results with those obtained from classical MD simulations with non-polarizable force fields. We consider the dipole moments of backbone carbonyl groups and channel water molecules as well as a number of structural quantities of interest. The ab initio results show that the dipole moments of the carbonyl groups and water molecules are highly sensitive to the hydrogen bonds (H-bonds) they participate in. In the absence of a K(+) ion, water molecules in the channel are quite mobile, making the H-bond network highly dynamic. A central K(+) ion acts as an anchor for the channel waters, stabilizing the H-bond network and thereby increasing their average dipole moments. In contrast, the K(+) ion has little effect on the dipole moments of the neighboring carbonyl groups. The weakness of the ion-peptide interactions helps to explain the near diffusion-rate conductance of K(+) ions through the channel. We also address the sampling issue in relatively short ab initio MD simulations. Results obtained from a continuous 20 ps ab initio MD simulation are compared with those generated by sampling ten windows from a much longer classical MD simulation and running each window for 2 ps with ab initio MD. Both methods yield similar results for a number of quantities of interest, indicating that fluctuations are fast enough to justify the short ab initio MD simulations.

Building a framework to explore water-human interaction for sustainable agro ecosystems in US Midwest

NASA Astrophysics Data System (ADS)

Mishra, S. K.; Ding, D.; Rapolu, U.

2012-12-01

Human activity is intricately linked to the quality and quantity of water resources. Although many studies have examined water-human interaction, the complexity of such coupled systems is not well understood largely because of gaps in our knowledge of water-cycle processes which are heavily influenced by socio-economic drivers. On this context, this team has investigated connections among agriculture, policy, climate, land use/land cover, and water quality in Iowa over the past couple of years. To help explore these connections the team is developing a variety of cyber infrastructure tools that facilitate the collection, analysis and visualization of data, and the simulation of system dynamics. In an ongoing effort, the prototype system is applied to Clear Creek watershed, an agricultural dominating catchment in Iowa in the US Midwest, to understand water-human processes relevant to management decisions by farmers regarding agro ecosystems. The primary aim of this research is to understand the connections that exist among the agricultural and biofuel economy, land use/land cover change, and water quality. To help explore these connections an agent-based model (ABM) of land use change has been developed that simulates the decisions made by farmers given alternative assumptions about market forces, farmer characteristics, and water quality regulations. The SWAT model was used to simulate the impact of these decisions on the movement of sediment, nitrogen, and phosphorus across the landscape. The paper also demonstrate how through the use of this system researchers can, for example, search for scenarios that lead to desirable socio-economic outcomes as well as preserve water quantity and quality.

Characterization and simulation of the quantity and quality of water in the Highland Lakes, Texas, 1983-92

USGS Publications Warehouse

Raines, Timothy H.; Rast, Walter

1999-01-01

Results from the simulations indicate that saline inflows to the Highland Lakes similar to those of the releases from Natural Dam Salt Lake during 1987–89 are unlikely to cause large increases in future concentrations of dissolved solids, chloride, and sulfate in the Highland Lakes. The results also indicate that high-salinity water will continue to be diluted as it is transported downstream through the Highland Lakes, even during extended dry periods.

Irrigation Dynamics and Tactics - Developing a Sustainable and Profitable Irrigation Strategy for Agricultural Areas

NASA Astrophysics Data System (ADS)

Van Opstal, J.; Neale, C. M. U.; Lecina, S.

2014-12-01

Irrigation management is a dynamic process that adapts according to weather conditions and water availability, as well as socio-economic influences. The goal of water users is to adapt their management to achieve maximum profits. However, these decisions should take into account the environmental impact on the surroundings. Agricultural irrigation systems need to be viewed as a system that is an integral part of a watershed. Therefore changes in the infrastructure, operation and management of an irrigated area, has an impact on the water quantity and quality available for other water users. A strategy can be developed for decision-makers using an irrigation system modelling tool. Such a tool can simulate the impact of the infrastructure, operation and management of an irrigation area on its hydrology and agricultural productivity. This combination of factors is successfully simulated with the Ador model, which is able to reproduce on-farm irrigation and water delivery by a canal system. Model simulations for this study are supported with spatial analysis tools using GIS and remote sensing. Continuous measurements of drainage water will be added to indicate the water quality aspects. The Bear River Canal Company located in Northern Utah (U.S.A.) is used as a case study for this research. The irrigation area encompasses 26,000 ha and grows mainly alfalfa, grains, corn and onions. The model allows the simulation of different strategies related to water delivery, on-farm water use, crop rotations, and reservoirs and networks capacities under different weather and water availability conditions. Such changes in the irrigation area will have consequences for farmers in the study area regarding crop production, and for downstream users concerning both the quantity and quality of outflows. The findings from this study give insight to decision-makers and water users for changing irrigation water delivery strategies to improve the sustainability and profitability of agriculture in the future.

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

Evaluation of water conservation capacity of loess plateau typical mountain ecosystems based on InVEST model simulation

NASA Astrophysics Data System (ADS)

Lv, Xizhi; Zuo, Zhongguo; Xiao, Peiqing

2017-06-01

With increasing demand for water resources and frequently a general deterioration of local water resources, water conservation by forests has received considerable attention in recent years. To evaluate water conservation capacities of different forest ecosystems in mountainous areas of Loess Plateau, the landscape of forests was divided into 18 types in Loess Plateau. Under the consideration of the factors such as climate, topography, plant, soil and land use, the water conservation of the forest ecosystems was estimated by means of InVEST model. The result showed that 486417.7 hm2 forests in typical mountain areas were divided into 18 forest types, and the total water conservation quantity was 1.64×1012m3, equaling an average of water conversation quantity of 9.09×1010m3. There is a great difference in average water conversation capacity among various forest types. The water conservation function and its evaluation is crucial and complicated issues in the study of ecological service function in modern times.

Model Refinement and Simulation of Groundwater Flow in Clinton, Eaton, and Ingham Counties, Michigan

USGS Publications Warehouse

Luukkonen, Carol L.

2010-01-01

A groundwater-flow model that was constructed in 1996 of the Saginaw aquifer was refined to better represent the regional hydrologic system in the Tri-County region, which consists of Clinton, Eaton, and Ingham Counties, Michigan. With increasing demand for groundwater, the need to manage withdrawals from the Saginaw aquifer has become more important, and the 1996 model could not adequately address issues of water quality and quantity. An updated model was needed to better address potential effects of drought, locally high water demands, reduction of recharge by impervious surfaces, and issues affecting water quality, such as contaminant sources, on water resources and the selection of pumping rates and locations. The refinement of the groundwater-flow model allows simulations to address these issues of water quantity and quality and provides communities with a tool that will enable them to better plan for expansion and protection of their groundwater-supply systems. Model refinement included representation of the system under steady-state and transient conditions, adjustments to the estimated regional groundwater-recharge rates to account for both temporal and spatial differences, adjustments to the representation and hydraulic characteristics of the glacial deposits and Saginaw Formation, and updates to groundwater-withdrawal rates to reflect changes from the early 1900s to 2005. 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 annual and monthly time scales and changes in storage within the system were included). These simulations included investigation of the potential effects of reduced recharge due to impervious areas or to low-rainfall/drought conditions, delineation of contributing areas with recent pumping rates, and optimization of pumping subject to various quantity and quality constraints. Simulation results indicate potential declines in water levels in both the upper glacial aquifer and the upper sandstone bedrock aquifer under steady-state and transient conditions when recharge was reduced by 20 and 50 percent in urban areas. Transient simulations were done to investigate reduced recharge due to low rainfall and increased pumping to meet anticipated future demand with 24 months (2 years) of modified recharge or modified recharge and pumping rates. During these two simulation years, monthly recharge rates were reduced by about 30 percent, and monthly withdrawal rates for Lansing area production wells were increased by 15 percent. The reduction in the amount of water available to recharge the groundwater system affects the upper model layers representing the glacial aquifers more than the deeper bedrock layers. However, with a reduction in recharge and an increase in withdrawals from the bedrock aquifer, water levels in the bedrock layers are affected more than those in the glacial layers. Differences in water levels between simulations with reduced recharge and reduced recharge with increased pumping are greatest in the Lansing area and least away from pumping centers, as expected. Additionally, the increases in pumping rates had minimal effect on most simulated streamflows. Additional simulations included updating the estimated 10-year wellhead-contributing areas for selected Lansing-area wells under 2006-7 pumping conditions. Optimization of groundwater withdrawals with a water-resource management model was done to determine withdrawal rates while minimizing operational costs and to determine withdrawal locations to achieve additional capacity while meeting specified head constraints. In these optimization scenarios, the desired groundwater withdrawals are achieved by simulating managed wells (where pumping rates can be optimized) and unmanaged wells (where pumping rates are not optimized) and by using various combinations of existing and proposed well locations.

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.

Simulation of nitrous oxide effluxes, crop yields and soil physical properties using the LandscapeDNDC model in managed ecosystem

NASA Astrophysics Data System (ADS)

Nyckowiak, Jedrzej; Lesny, Jacek; Haas, Edwin; Juszczak, Radoslaw; Kiese, Ralf; Butterbach-Bahl, Klaus; Olejnik, Janusz

2014-05-01

Modeling of nitrous oxide emissions from soil is very complex. Many different biological and chemical processes take place in soils which determine the amount of emitted nitrous oxide. Additionaly, biogeochemical models contain many detailed factors which may determine fluxes and other simulated variables. We used the LandscapeDNDC model in order to simulate N2O emissions, crop yields and soil physical properties from mineral cultivated soils in Poland. Nitrous oxide emissions from soils were modeled for fields with winter wheat, winter rye, spring barley, triticale, potatoes and alfalfa crops. Simulations were carried out for the plots of the Brody arable experimental station of Poznan University of Life Science in western Poland and covered the period 2003 - 2012. The model accuracy and its efficiency was determined by comparing simulations result with measurements of nitrous oxide emissions (measured with static chambers) from about 40 field campaigns. N2O emissions are strongly dependent on temperature and soil water content, hence we compared also simulated soil temperature at 10cm depth and soil water content at the same depth with the daily measured values of these driving variables. We compared also simulated yield quantities for each individual experimental plots with yield quantities which were measured in the period 2003-2012. We conclude that the LandscapeDNDC model is capable to simulate soil N2O emissions, crop yields and physical properties of soil with satisfactorily good accuracy and efficiency.

Demonstration of landfill gas enhancement techniques in landfill simulators

NASA Astrophysics Data System (ADS)

Walsh, J. J.; Vogt, W. G.

1982-02-01

Various techniques to enhance gas production in sanitary landfills were applied to landfill simulators. These techniques include (1) accelerated moisture addition, (2) leachate recycling, (3) buffer addition, (4) nutrient addition, and (5) combinations of the above. Results are compiled through on-going operation and monitoring of sixteen landfill simulators. These test cells contain about 380 kg of municipal solid waste. Quantities of buffer and nutrient materials were placed in selected cells at the time of loading. Water is added to all test cells on a monthly basis; leachate is withdrawn from all cells (and recycled on selected cells) also on a monthly basis. Daily monitoring of gas volumes and refuse temperatures is performed. Gas and leachate samples are collected and analyzed on a monthly basis. Leachate and gas quality and quantity reslts are presented for the first 18 months of operation.

Equilibration and analysis of first-principles molecular dynamics simulations of water

NASA Astrophysics Data System (ADS)

Dawson, William; Gygi, François

2018-03-01

First-principles molecular dynamics (FPMD) simulations based on density functional theory are becoming increasingly popular for the description of liquids. In view of the high computational cost of these simulations, the choice of an appropriate equilibration protocol is critical. We assess two methods of estimation of equilibration times using a large dataset of first-principles molecular dynamics simulations of water. The Gelman-Rubin potential scale reduction factor [A. Gelman and D. B. Rubin, Stat. Sci. 7, 457 (1992)] and the marginal standard error rule heuristic proposed by White [Simulation 69, 323 (1997)] are evaluated on a set of 32 independent 64-molecule simulations of 58 ps each, amounting to a combined cumulative time of 1.85 ns. The availability of multiple independent simulations also allows for an estimation of the variance of averaged quantities, both within MD runs and between runs. We analyze atomic trajectories, focusing on correlations of the Kohn-Sham energy, pair correlation functions, number of hydrogen bonds, and diffusion coefficient. The observed variability across samples provides a measure of the uncertainty associated with these quantities, thus facilitating meaningful comparisons of different approximations used in the simulations. We find that the computed diffusion coefficient and average number of hydrogen bonds are affected by a significant uncertainty in spite of the large size of the dataset used. A comparison with classical simulations using the TIP4P/2005 model confirms that the variability of the diffusivity is also observed after long equilibration times. Complete atomic trajectories and simulation output files are available online for further analysis.

Equilibration and analysis of first-principles molecular dynamics simulations of water.

PubMed

Dawson, William; Gygi, François

2018-03-28

First-principles molecular dynamics (FPMD) simulations based on density functional theory are becoming increasingly popular for the description of liquids. In view of the high computational cost of these simulations, the choice of an appropriate equilibration protocol is critical. We assess two methods of estimation of equilibration times using a large dataset of first-principles molecular dynamics simulations of water. The Gelman-Rubin potential scale reduction factor [A. Gelman and D. B. Rubin, Stat. Sci. 7, 457 (1992)] and the marginal standard error rule heuristic proposed by White [Simulation 69, 323 (1997)] are evaluated on a set of 32 independent 64-molecule simulations of 58 ps each, amounting to a combined cumulative time of 1.85 ns. The availability of multiple independent simulations also allows for an estimation of the variance of averaged quantities, both within MD runs and between runs. We analyze atomic trajectories, focusing on correlations of the Kohn-Sham energy, pair correlation functions, number of hydrogen bonds, and diffusion coefficient. The observed variability across samples provides a measure of the uncertainty associated with these quantities, thus facilitating meaningful comparisons of different approximations used in the simulations. We find that the computed diffusion coefficient and average number of hydrogen bonds are affected by a significant uncertainty in spite of the large size of the dataset used. A comparison with classical simulations using the TIP4P/2005 model confirms that the variability of the diffusivity is also observed after long equilibration times. Complete atomic trajectories and simulation output files are available online for further analysis.

Amending greenroof soil with biochar to affect runoff water quantity and quality.

PubMed

Beck, Deborah A; Johnson, Gwynn R; Spolek, Graig A

2011-01-01

Numbers of greenroofs in urban areas continue to grow internationally; so designing greenroof soil to reduce the amount of nutrients in the stormwater runoff from these roofs is becoming essential. This study evaluated changes in extensive greenroof water discharge quality and quantity after adding biochar, a soil amendment promoted for its ability to retain nutrients in soils and increase soil fertility. Prototype greenroof trays with and without biochar were planted with sedum or ryegrass, with barren soil trays used as controls. The greenroof trays were subjected to two sequential 7.4cm/h rainfall events using a rain simulator. Runoff from the rain events was collected and evaluated. Trays containing 7% biochar showed increased water retention and significant decreases in discharge of total nitrogen, total phosphorus, nitrate, phosphate, and organic carbon. The addition of biochar to greenroof soil improves both runoff water quality and retention. Copyright © 2011 Elsevier Ltd. All rights reserved.

Evaluating Water Supply and Water Quality Management Options for Las Vegas Valley

NASA Astrophysics Data System (ADS)

Ahmad, S.

2007-05-01

The ever increasing population in Las Vegas is generating huge demand for water supply on one hand and need for infrastructure to collect and treat the wastewater on the other hand. Current plans to address water demand include importing water from Muddy and Virgin Rivers and northern counties, desalination of seawater with trade- payoff in California, water banking in Arizona and California, and more intense water conservation efforts in the Las Vegas Valley (LVV). Water and wastewater in the LVV are intrinsically related because treated wastewater effluent is returned back to Lake Mead, the drinking water source for the Valley, to get a return credit thereby augmenting Nevada's water allocation from the Colorado River. The return of treated wastewater however, is a major contributor of nutrients and other yet unregulated pollutants to Lake Mead. Parameters that influence the quantity of water include growth of permanent and transient population (i.e., tourists), indoor and outdoor water use, wastewater generation, wastewater reuse, water conservation, and return flow credits. The water quality of Lake Mead and the Colorado River is affected by the level of treatment of wastewater, urban runoff, groundwater seepage, and a few industrial inputs. We developed an integrated simulation model, using system dynamics modeling approach, to account for both water quantity and quality in the LVV. The model captures the interrelationships among many variables that influence both, water quantity and water quality. The model provides a valuable tool for understanding past, present and future pathways of water and its constituents in the LVV. The model is calibrated and validated using the available data on water quantity (flows at water and wastewater treatment facilities and return water credit flow rates) and water quality parameters (TDS and phosphorus concentrations). We used the model to explore important questions: a)What would be the effect of the water transported from the northern counties on the water supply and water quality of Lake Mead? b)What would be the impact of increased reuse of wastewater on return credits? c)What would be the effect of treating runoff water on the load of nutrients to Lake Mead?

Comparison of Varied Precipitation and Soil Data Types for Use in Watershed Modeling.

EPA Science Inventory

The accuracy of water quality and quantity models depends on calibration to ensure reliable simulations of streamflow, which in turn requires accurate climatic forcing data. Precipitation is widely acknowledged to be the largest source of uncertainty in watershed modeling, and so...

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

Stimpson, Shane G; Powers, Jeffrey J; Clarno, Kevin T

The Consortium for Advanced Simulation of Light Water Reactors (CASL) aims to provide high-fidelity, multiphysics simulations of light water reactors (LWRs) by coupling a variety of codes within the Virtual Environment for Reactor Analysis (VERA). One of the primary goals of CASL is to predict local cladding failure through pellet-clad interaction (PCI). This capability is currently being pursued through several different approaches, such as with Tiamat, which is a simulation tool within VERA that more tightly couples the MPACT neutron transport solver, the CTF thermal hydraulics solver, and the MOOSE-based Bison-CASL fuel performance code. However, the process in this papermore » focuses on running fuel performance calculations with Bison-CASL to predict PCI using the multicycle output data from coupled neutron transport/thermal hydraulics simulations. In recent work within CASL, Watts Bar Unit 1 has been simulated over 12 cycles using the VERA core simulator capability based on MPACT and CTF. Using the output from these simulations, Bison-CASL results can be obtained without rerunning all 12 cycles, while providing some insight into PCI indicators. Multi-cycle Bison-CASL results are presented and compared against results from the FRAPCON fuel performance code. There are several quantities of interest in considering PCI and subsequent fuel rod failures, such as the clad hoop stress and maximum centerline fuel temperature, particularly as a function of time. Bison-CASL performs single-rod simulations using representative power and temperature distributions, providing high-resolution results for these and a number of other quantities. This will assist in identifying fuels rods as potential failure locations for use in further analyses.« less

Simulated water-level and water-quality changes in the bolson-fill aquifer, Post Headquarters area, White Sands Missile Range, New Mexico

USGS Publications Warehouse

Risser, D.W.

1988-01-01

The quantity of freshwater available in the Post Headquarters well field, White Sand Missile Range, New Mexico, is limited and its quality is threatened by saltwater enroachment. A three-dimensional, finite-difference, groundwater flow model and a cross-sectional, density-dependent solute-transport model were constructed to simulate possible future water level declines and water quality changes in the Post Headquarters well field. A six-layer flow model was constructed using hydraulic-conductivity values in the upper 600 ft of saturated aquifer ranging from 0.1 to 10 ft/day, specific yield of 0.15, and average recharge of about 1,590 acre-ft/yr. Water levels simulated by the model closely matched measured water levels for 1948-82. Possible future water level changes for 1983-2017 were simulated using rates of groundwater withdrawal of 1,033 and 2 ,066 acre-ft/year and wastewater return flow of 0 or 30% of the groundwater withdrawal rate. The cross-sectional solute-transport model indicated that the freshwater zone is about 1,500 to 2,000 ft thick beneath the well field. Transient simulations show that solutes probably will move laterally toward the well field rather than from beneath the well field. (USGS)

Numerical simulation of groundwater flow for the Yakima River basin aquifer system, Washington

USGS Publications Warehouse

Ely, D.M.; Bachmann, M.P.; Vaccaro, J.J.

2011-01-01

Five applications (scenarios) of the model were completed to obtain a better understanding of the relation between pumpage and surface-water resources and groundwater levels. For the first three scenarios, the calibrated transient model was used to simulate conditions without: (1) pumpage from all hydrogeologic units, (2) pumpage from basalt hydrogeologic units, and (3) exempt-well pumpage. The simulation results indicated potential streamflow capture by the existing pumpage from 1960 through 2001. The quantity of streamflow capture generally was inversely related to the total quantity of pumpage eliminated in the model scenarios. For the fourth scenario, the model simulated 1994 through 2001 under existing conditions with additional pumpage estimated for pending groundwater applications. The differences between the calibrated model streamflow and this scenario indicated additional decreases in streamflow of 91 cubic feet per second in the model domain. Existing conditions representing 1994 through 2001 were projected through 2025 for the fifth scenario and indicated additional streamflow decreases of 38 cubic feet per second and groundwater-level declines.

ELEVATED CO2 AND TEMPERATURE ALTER THE RESPONSE OF PINUS PONDEROSA TO OZONE: A SIMULATION ANALYSIS

EPA Science Inventory

Forests regulate numerous biogeochemical cycles, storing and cycling large quantities of carbon, water, and nutrients, however, there is concern how climate change, elevated CO2 and tropospheric O3 will affect these processes. We investigated the potential impact of O3 in combina...

Simulation and analysis of soil-water conditions in the Great Plains and adjacent areas, central United States, 1951-80

USGS Publications Warehouse

Dugan, Jack T.; Zelt, Ronald B.

2000-01-01

Ground-water recharge and consumptive-irrigation requirements in the Great Plains and adjacent areas largely depend upon an environment extrinsic to the ground-water system. This extrinsic environment, which includes climate, soils, and vegetation, determines the water demands of evapotranspiration, the availability of soil water to meet these demands, and the quantity of soil water remaining for potential ground-water recharge after these demands are met. The geographic extent of the Great Plains contributes to large regional differences among all elements composing the extrinsic environment, particularly the climatic factors. A soil-water simulation program, SWASP, which synthesizes selected climatic, soil, and vegetation factors, was used to simulate the regional soil-water conditions during 1951-80. The output from SWASP consists of several soil-water characteristics, including surface runoff, infiltration, consumptive water requirements, actual evapotranspiration, potential recharge or deep percolation under various conditions, consumptive irrigation requirements, and net fluxes from the ground-water system under irrigated conditions. Simulation results indicate that regional patterns of potential recharge, consumptive irrigation requirements, and net fluxes from the ground-water system under irrigated conditions are largely determined by evapotranspiration and precipitation. The local effects of soils and vegetation on potential recharge cause potential recharge to vary by more than 50 percent in some areas having similar climatic conditions.

Large eddy simulation of hydrodynamic cavitation

NASA Astrophysics Data System (ADS)

Bhatt, Mrugank; Mahesh, Krishnan

2017-11-01

Large eddy simulation is used to study sheet to cloud cavitation over a wedge. The mixture of water and water vapor is represented using a homogeneous mixture model. Compressible Navier-Stokes equations for mixture quantities along with transport equation for vapor mass fraction employing finite rate mass transfer between the two phases, are solved using the numerical method of Gnanaskandan and Mahesh. The method is implemented on unstructured grid with parallel MPI capabilities. Flow over a wedge is simulated at Re = 200 , 000 and the performance of the homogeneous mixture model is analyzed in predicting different regimes of sheet to cloud cavitation; namely, incipient, transitory and periodic, as observed in the experimental investigation of Harish et al.. This work is supported by the Office of Naval Research.

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.

Robust three-body water simulation model

NASA Astrophysics Data System (ADS)

Tainter, C. J.; Pieniazek, P. A.; Lin, Y.-S.; Skinner, J. L.

2011-05-01

The most common potentials used in classical simulations of liquid water assume a pairwise additive form. Although these models have been very successful in reproducing many properties of liquid water at ambient conditions, none is able to describe accurately water throughout its complicated phase diagram. The primary reason for this is the neglect of many-body interactions. To this end, a simulation model with explicit three-body interactions was introduced recently [R. Kumar and J. L. Skinner, J. Phys. Chem. B 112, 8311 (2008), 10.1021/jp8009468]. This model was parameterized to fit the experimental O-O radial distribution function and diffusion constant. Herein we reparameterize the model, fitting to a wider range of experimental properties (diffusion constant, rotational correlation time, density for the liquid, liquid/vapor surface tension, melting point, and the ice Ih density). The robustness of the model is then verified by comparing simulation to experiment for a number of other quantities (enthalpy of vaporization, dielectric constant, Debye relaxation time, temperature of maximum density, and the temperature-dependent second and third virial coefficients), with good agreement.

Simulated bioavailability of phosphorus from aquatic macrophytes and hytoplankton by aqueous suspension and incubation with alkaline phosphatase

USDA-ARS?s Scientific Manuscript database

Bioavailability of phosphorus (P) in aquatic macrophytes and algae on lake eutrophication was studied by evaluation their P forms and quantities in their water suspensions and impact by alkaline phosphatase hydrolysis. using solution 31P-nuclear magnetic resonance (NMR). The laboratory suspension an...

Geant4-DNA example applications for track structure simulations in liquid water: a report from the Geant4-DNA Project.

PubMed

Incerti, S; Kyriakou, I; Bernal, M A; Bordage, M C; Francis, Z; Guatelli, S; Ivanchenko, V; Karamitros, M; Lampe, N; Lee, S B; Meylan, S; Min, C H; Shin, W G; Nieminen, P; Sakata, D; Tang, N; Villagrasa, C; Tran, H; Brown, J M C

2018-06-14

This Special Report presents a description of Geant4-DNA user applications dedicated to the simulation of track structures (TS) in liquid water and associated physical quantities (e.g. range, stopping power, mean free path…). These example applications are included in the Geant4 Monte Carlo toolkit and are available in open access. Each application is described and comparisons to recent international recommendations are shown (e.g. ICRU, MIRD), when available. The influence of physics models available in Geant4-DNA for the simulation of electron interactions in liquid water is discussed. Thanks to these applications, the authors show that the most recent sets of physics models available in Geant4-DNA (the so-called "option4″ and "option 6″ sets) enable more accurate simulation of stopping powers, dose point kernels and W-values in liquid water, than the default set of models ("option 2″) initially provided in Geant4-DNA. They also serve as reference applications for Geant4-DNA users interested in TS simulations. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

Optimising The Available Scarce Water Resources At European Scale In A Modelling Environment: Results And Challenges

NASA Astrophysics Data System (ADS)

de Roo, Ad; Burek, Peter; Gentile, Alessandro; Udias, Angel; Bouraoui, Faycal

2013-04-01

As a next step to European drought monitoring and forecasting, which is covered in the European Drought Observatory (EDO) activity of JRC, a modeling environment has been developed to assess optimum measures to match water availability and water demand, while keeping ecological, water quality and flood risk aspects also into account. A multi-modelling environment has been developed to assess combinations of water retention measures, water savings measures, and nutrient reduction measures for continental Europe. These simulations have been carried out to assess the effects of those measures on several hydro-chemical indicators, such as the Water Exploitation Index, Environmental Flow indicators, low-flow frequency, N and P concentrations in rivers, the 50-year return period river discharge as an indicator for flooding, and economic losses due to water scarcity for the agricultural sector, the industrial sector, and the public sector. Also, potential flood damage of a 100-year return period flood has been used as an indicator. This modeling environment consists of linking the agricultural CAPRI model, the land use LUMP model, the water quantity LISFLOOD model, the water quality EPIC model, the combined water quantity/quality and hydro-economic LISQUAL model and a multi-criteria optimization routine. A python interface platform (IMO) has been built to link the different models. The work was carried out in the framework of a new European Commission policy document "Blueprint to Safeguard Europe's Water Resources", COM(2012)673), launched in November 2012. Simulations have been carried out to assess the effects of water retention measures, water savings measures, and nutrient reduction measures on several hydro-chemical indicators, such as the Water Exploitation Index, Environmental Flow indicators, N and P concentrations in rivers, the 50-year return period river discharge as an indicator for flooding, and economic losses due to water scarcity for the agricultural sector, the manufacturing-industry sector, the energy-production sector and the domestic sector. Also, potential flood damage of a 100-year return period flood has been used as an indicator. The study has shown that technically this modelling software environment can deliver optimum scenario combinations of packages of measures that improve various water quantity and water quality indicators, but that additional work is needed before final conclusions can be made using the tool. Further work is necessary, especially in the economic loss estimations, the water prices and price-elasticity, as well as the implementation and maintenance costs of individual scenarios. First results and challenges will be presented and discussed.

CFD Lagrangian Modeling of Water Droplet Transport for ISS Hygiene Activity Application

NASA Technical Reports Server (NTRS)

Son, Chang H.

2013-01-01

The goal of this study was to assess the impacts of free water propagation in the Waste and Hygiene Compartment (WHC) installed in Node 3. Free water can be generated inside the WHC in small quantities due to crew hygiene activity. To mitigate potential impact of free water in Node 3 cabin the WHC doorway is enclosed by a waterproof bump-out, Kabin, with openings at the top and bottom. At the overhead side of the rack, there is a screen that prevents large drops of water from exiting. However, as the avionics fan in the WHC causes airflow toward the deck side of the rack, small quantities of free water may exit at the bottom of the Kabin. A Computational Fluid Dynamics (CFD) analysis of Node 3 cabin airflow enable identifying the paths of water transport. To simulate the droplet transport the Lagrangian discrete phase approach was used. Various initial droplet distributions were considered in the study. The droplet diameter was varied in the range of 5-20 mm. The results of the computations showed that most of the drops fall to the rack surface not far from the WHC curtain.

Linking the Scales of Scientific inquiry and Watershed Management: A Focus on Green Infrastructure

NASA Astrophysics Data System (ADS)

Golden, H. E.; Hoghooghi, N.

2017-12-01

Urbanization modifies the hydrologic cycle, resulting in potentially deleterious downstream water quality and quantity effects. However, the cumulative interacting effects of water storage, transport, and biogeochemical processes occurring within other land cover and use types of the same watershed can render management explicitly targeted to limit the negative outcomes from urbanization ineffective. For example, evidence indicates that green infrastructure, or low impact development (LID), practices can attenuate the adverse water quality and quantity effects of urbanizing systems. However, the research providing this evidence has been conducted at local scales (e.g., plots, small homogeneous urban catchments) that isolate the measurable effects of such approaches. Hence, a distinct disconnect exists between the scale of scientific inquiry and the scale of management and decision-making practices. Here we explore the oft-discussed yet rarely directly addressed scientific and management conundrum: How do we scale our well-documented scientific knowledge of the water quantity and quality responses to LID practices measured and modeled at local scales to that of "actual" management scales? We begin by focusing on LID practices in mixed land cover watersheds. We present key concepts that have emerged from LID research at the local scale, considerations for scaling this research to watersheds, recent advances and findings in scaling the effects of LID practices on water quality and quantity at watershed scales, and the use of combined novel measurements and models for these scaling efforts. We underscore these concepts with a case study that evaluates the effects of three LID practices using simulation modeling across a mixed land cover watershed. This synthesis and case study highlight that scientists are making progress toward successfully tailoring fundamental research questions with decision-making goals in mind, yet we still have a long road ahead.

Global sensitivity analysis for urban water quality modelling: Terminology, convergence and comparison of different methods

NASA Astrophysics Data System (ADS)

Vanrolleghem, Peter A.; Mannina, Giorgio; Cosenza, Alida; Neumann, Marc B.

2015-03-01

Sensitivity analysis represents an important step in improving the understanding and use of environmental models. Indeed, by means of global sensitivity analysis (GSA), modellers may identify both important (factor prioritisation) and non-influential (factor fixing) model factors. No general rule has yet been defined for verifying the convergence of the GSA methods. In order to fill this gap this paper presents a convergence analysis of three widely used GSA methods (SRC, Extended FAST and Morris screening) for an urban drainage stormwater quality-quantity model. After the convergence was achieved the results of each method were compared. In particular, a discussion on peculiarities, applicability, and reliability of the three methods is presented. Moreover, a graphical Venn diagram based classification scheme and a precise terminology for better identifying important, interacting and non-influential factors for each method is proposed. In terms of convergence, it was shown that sensitivity indices related to factors of the quantity model achieve convergence faster. Results for the Morris screening method deviated considerably from the other methods. Factors related to the quality model require a much higher number of simulations than the number suggested in literature for achieving convergence with this method. In fact, the results have shown that the term "screening" is improperly used as the method may exclude important factors from further analysis. Moreover, for the presented application the convergence analysis shows more stable sensitivity coefficients for the Extended-FAST method compared to SRC and Morris screening. Substantial agreement in terms of factor fixing was found between the Morris screening and Extended FAST methods. In general, the water quality related factors exhibited more important interactions than factors related to water quantity. Furthermore, in contrast to water quantity model outputs, water quality model outputs were found to be characterised by high non-linearity.

An integrated modeling framework of socio-economic, biophysical, and hydrological processes in Midwest landscapes: Remote sensing data, agro-hydrological model, and agent-based model

NASA Astrophysics Data System (ADS)

Ding, Deng

Intensive human-environment interactions are taking place in Midwestern agricultural systems. An integrated modeling framework is suitable for predicting dynamics of key variables of the socio-economic, biophysical, hydrological processes as well as exploring the potential transitions of system states in response to changes of the driving factors. The purpose of this dissertation is to address issues concerning the interacting processes and consequent changes in land use, water balance, and water quality using an integrated modeling framework. This dissertation is composed of three studies in the same agricultural watershed, the Clear Creek watershed in East-Central Iowa. In the first study, a parsimonious hydrologic model, the Threshold-Exceedance-Lagrangian Model (TELM), is further developed into RS-TELM (Remote Sensing TELM) to integrate remote sensing vegetation data for estimating evapotranspiration. The goodness of fit of RS-TELM is comparable to a well-calibrated SWAT (Soil and Water Assessment Tool) and even slightly superior in capturing intra-seasonal variability of stream flow. The integration of RS LAI (Leaf Area Index) data improves the model's performance especially over the agriculture dominated landscapes. The input of rainfall datasets with spatially explicit information plays a critical role in increasing the model's goodness of fit. In the second study, an agent-based model is developed to simulate farmers' decisions on crop type and fertilizer application in response to commodity and biofuel crop prices. The comparison between simulated crop land percentage and crop rotations with satellite-based land cover data suggest that farmers may be underestimating the effects that continuous corn production has on yields (yield drag). The simulation results given alternative market scenarios based on a survey of agricultural land owners and operators in the Clear Creek Watershed show that, farmers see cellulosic biofuel feedstock production in the form of perennial grasses or corn stover as a more risky enterprise than their current crop production systems, likely because of market and production risks and lock in effects. As a result farmers do not follow a simple farm-profit maximization rule. In the third study, the consequent water quantity and quality change of the potential land use transitions given alternative biofuel crop market scenarios is explored in a case study in the Clear Creek watershed. A computer program is developed to implement the loose-coupling strategy to couple an agent-based land use model with SWAT. The simulation results show that watershed-scale water quantity (water yield and runoff) and quality variables (sediment and nutrient loads) decrease in values as switchgrass price increases. However, negligence of farmers risk aversions towards biofuel crop adoption would cause overestimation of the impacts of switchgrass price on water quantity and quality.

Estimation of urban runoff and water quality using remote sensing and artificial intelligence.

PubMed

Ha, S R; Park, S Y; Park, D H

2003-01-01

Water quality and quantity of runoff are strongly dependent on the landuse and landcover (LULC) criteria. In this study, we developed a more improved parameter estimation procedure for the environmental model using remote sensing (RS) and artificial intelligence (AI) techniques. Landsat TM multi-band (7bands) and Korea Multi-Purpose Satellite (KOMPSAT) panchromatic data were selected for input data processing. We employed two kinds of artificial intelligence techniques, RBF-NN (radial-basis-function neural network) and ANN (artificial neural network), to classify LULC of the study area. A bootstrap resampling method, a statistical technique, was employed to generate the confidence intervals and distribution of the unit load. SWMM was used to simulate the urban runoff and water quality and applied to the study watershed. The condition of urban flow and non-point contaminations was simulated with rainfall-runoff and measured water quality data. The estimated total runoff, peak time, and pollutant generation varied considerably according to the classification accuracy and percentile unit load applied. The proposed procedure would efficiently be applied to water quality and runoff simulation in a rapidly changing urban area.

Simulated fate and transport of metolachlor in the unsaturated zone, Maryland, USA

USGS Publications Warehouse

Bayless, E.R.; Capel, P.D.; Barbash, J.E.; Webb, R.M.T.; Hancock, T.L.C.; Lampe, D.C.

2008-01-01

An unsaturated-zone transport model was used to examine the transport and fate of metolachlor applied to an agricultural site in Maryland, USA. The study site was instrumented to collect data on soil-water content, soil-water potential, ground water levels, major ions, pesticides, and nutrients from the unsaturated zone during 2002-2004. The data set was enhanced with site-specific information describing weather, soils, and agricultural practices. The Root Zone Water Quality Model was used to simulate physical, chemical, and biological processes occurring in the unsaturated zone. Model calibration to bromide tracer concentrations indicated flow occurred through the soil matix. Simulated recharge rates were within the measured range of values. The pesticide transport model was calibrated to the intensive data collection period (2002-2004), and the calibrated model was then used to simulate the period 1984 through 2004 to examine the impact of sustained agricultural management practices on the concentrations of metolachlor and its degradates at the study site. Simulation results indicated that metolachlor degrades rapidly in the root zone but that the degradates are transported to depth in measurable quantities. Simulations indicated that degradate transport is strongly related to the duration of sustained use of metolachlor and the extent of biodegradation. 

Ground-water hydrology of the upper Sevier River Basin, south-central Utah, and simulation of ground-water flow in the valley-fill in Panguitch Valley.

USGS Publications Warehouse

Thiros, Susan A.; Brothers, William C.

1993-01-01

The ground-water hydrology of the upper Sevier River basin, primarily of the unconsolidated valley-fill aquifers, was studied from 1988 to 1989. Recharge to the valley-fill aquifers is mostly by seepage from surface-water sources. Changes in soil-moisture content am water levels were measured in Panguitch Valley both at a flood-irrigated and at a sprinkler-irrigated alfalfa field to quantify seepage from unconsumed irrigation water. Lag time between irrigation and water-level response decreased from 6 to 2 days in the flood-irrigated field as the soil-moisture content increased. Water levels measured in the sprinkler-irrigated field did not respond to irrigation. Discharge from the valley-fill aquifer to the Sevier River in Panguitch Valley is about 53,570 acre-feet per year.Water levels measured in wells from 1951 to 1989 tend to fluctuate with the quantity of precipitation falling at higher elevations. Ground-water discharge to the Sevier River in Panguitch Valley causes a general increase in the specific conductance of the river in a downstream direction.A three-layered ground-water-flow model was used to simulate the effects of changes in irrigation practices am increased ground-water withdrawals in Panguitch Valley. The establishment of initial conditions consisted of comparing simulated water levels and simulated gains and losses from the Sevier River and selected canals with values measured during the 1988 irrigation season. The model was calibrated by comparing water-level changes measured from 1961 to 1963 to simulated changes. A simulated change from flood to sprinkler irrigation resulted in a maximum decline in water level of 0.9 feet after the first year of change. Simulating additional discharge from wells resulted in drawdowns of about 20 feet after the first year of pumping.

Fully-Integrated Simulation of Conjunctive Use from Field to Basin Scales: Development of a Surface Water Operations Module for MODFLOW-OWHM

NASA Astrophysics Data System (ADS)

Ferguson, I. M.; Boyce, S. E.; Hanson, R. T.; Llewellyn, D.

2014-12-01

It is well established that groundwater pumping affects surface-water availability by intercepting groundwater that would otherwise discharge to streams and/or by increasing seepage from surface-water channels. Conversely, surface-water management operations effect groundwater availability by altering the timing, location, and quantity of groundwater recharge and demand. Successful conjunctive use may require analysis with an integrated approach that accounts for the many interactions and feedbacks between surface-water and groundwater availability and their joint management. In order to improve simulation and analysis of conjunctive use, Bureau of Reclamation and USGS are collaborating to develop a surface-water operations module within MODFLOW One Water Hydrologic Flow Model (MF-OWHM), a new version of the USGS Modular Groundwater Flow Model (MODFLOW). Here we describe the development and application of the surface-water operations module. We provide an overview of the conceptual approach used to simulate surface-water operations—including surface-water storage, allocation, release, diversion, and delivery on monthly to seasonal time frames—in a fully-integrated manner. We then present results from a recent case study analysis of the Rio Grande Project, a large-scale irrigation project located in New Mexico and Texas, under varying surface-water operations criteria and climate conditions. Case study results demonstrate the importance of integrated hydrologic simulation of surface water and groundwater operations in analysis and management of conjunctive-use systems.

[Characteristic of ammonia nitrogen adsorption on karst underground river sediments].

PubMed

Guo, Fang; Chen, Kun-Kun; Jiang, Guang-Hui

2011-02-01

Karst aquifers are one of the most important aquifers in Southwestern China. One of the characteristics of karst aquifers is the enhanced permeability permits high flow velocities are capable of transporting suspended and bedload sediments. Mobile sediment in karst may act as a vector for the transport of contaminates. 14 sediment samples were collected from two underground rivers in two typical karst areas in Liuzhou city, Guangxi Autonomous Region, China. According to simulated experiment methods, characteristic of adsorption of ammonia nitrogen on sediment was studied. The results of ammonia nitrogen adsorption dynamics on sediments showed that the maximum adsorption velocity was less than 2 h. The adsorption balance quantity in 5 h accounted for 71% - 98% of the maximum adsorption quantity. The maximum adsorption quantity of ammonia nitrogen was 385.5 mg/kg, which was sediment from a cave in the middle areas of Guancun underground river system. The study of isotherm adsorption indicated adsorption quantity of NH4+ increase followed by incremental balance concentration of NH4+ in the aquatic phase. Adsorption quantity of ammonia nitrogen in sediments has a relative linear relationship with adsorption balance concentrations. Adsorption-desorption balance concentrations were all low, indicating sediments from underground rivers have great adsorption potential. Under the condition of low and high concentrations of ammonia nitrogen in overlying water, Langmuir and Tempkin couldn't simulate or simulate results couldn't reach remarkable level, whilst Linear and Freundlich models could simulate well. Research on different type sediments, sampling times and depths from two underground rivers shows characteristic of ammonia nitrogen adsorption on karst underground river sediments doesn't have good correspondence with the type of sediments. One of the reasons is there is no big difference between sediments in the development of climate, geology, hydrological conditions and pollution history. The other reason maybe the article is lack of research on pH, salinity and others factors which may affect adsorption and desorption.

Assessment of impacts of agricultural and climate change scenarios on watershed water quantity and quality, and crop production

NASA Astrophysics Data System (ADS)

Teshager, Awoke D.; Gassman, Philip W.; Schoof, Justin T.; Secchi, Silvia

2016-08-01

Modeling impacts of agricultural scenarios and climate change on surface water quantity and quality provides useful information for planning effective water, environmental and land use policies. Despite the significant impacts of agriculture on water quantity and quality, limited literature exists that describes the combined impacts of agricultural land use change and climate change on future bioenergy crop yields and watershed hydrology. In this study, the soil and water assessment tool (SWAT) eco-hydrological model was used to model the combined impacts of five agricultural land use change scenarios and three downscaled climate pathways (representative concentration pathways, RCPs) that were created from an ensemble of eight atmosphere-ocean general circulation models (AOGCMs). These scenarios were implemented in a well-calibrated SWAT model for the intensively farmed and tiled Raccoon River watershed (RRW) located in western Iowa. The scenarios were executed for the historical baseline, early century, mid-century and late century periods. The results indicate that historical and more corn intensive agricultural scenarios with higher CO2 emissions consistently result in more water in the streams and greater water quality problems, especially late in the 21st century. Planting more switchgrass, on the other hand, results in less water in the streams and water quality improvements relative to the baseline. For all given agricultural landscapes simulated, all flow, sediment and nutrient outputs increase from early-to-late century periods for the RCP4.5 and RCP8.5 climate scenarios. We also find that corn and switchgrass yields are negatively impacted under RCP4.5 and RCP8.5 scenarios in the mid- and late 21st century.

Effects of nearshore recharge on groundwater interactions with a lake in mantled karst terrain

USGS Publications Warehouse

Lee, Terrie M.

2000-01-01

The recharge and discharge of groundwater were investigated for a lake basin in the mantled karst terrain of central Florida to determine the relative importance of transient groundwater inflow to the lake water budget. Variably saturated groundwater flow modeling simulated water table responses observed beneath two hillsides radiating outward from the groundwater flow‐through lake. Modeling results indicated that transient water table mounding and groundwater flow reversals in the nearshore region following large daily rainfall events generated most of the net groundwater inflow to the lake. Simulated daily groundwater inflow was greatest following water table mounding near the lake, not following subsequent peaks in the water level of upper basin wells. Transient mounding generated net groundwater inflow to the lake, that is, groundwater inflow in excess of the outflow occurring through the deeper lake bottom. The timing of the modeled net groundwater inflow agreed with an independent lake water budget; however, the quantity was considerably less than the budget‐derived value.

Integrated Water Resources Simulation Model for Rural Community

NASA Astrophysics Data System (ADS)

Li, Y.-H.; Liao, W.-T.; Tung, C.-P.

2012-04-01

The purpose of this study is to develop several water resources simulation models for residence houses, constructed wetlands and farms and then integrate these models for a rural community. Domestic and irrigation water uses are the major water demand in rural community. To build up a model estimating domestic water demand for residence houses, the average water use per person per day should be accounted first, including water uses of kitchen, bathroom, toilet and laundry. On the other hand, rice is the major crop in the study region, and its productive efficiency sometimes depends on the quantity of irrigation water. The water demand can be estimated by crop water use, field leakage and water distribution loss. Irrigation water comes from rainfall, water supply system and reclaimed water which treated by constructed wetland. In recent years, constructed wetlands play an important role in water resources recycle. They can purify domestic wastewater for water recycling and reuse. After treating from constructed wetlands, the reclaimed water can be reused in washing toilets, watering gardens and irrigating farms. Constructed wetland is one of highly economic benefits for treating wastewater through imitating the processing mechanism of natural wetlands. In general, the treatment efficiency of constructed wetlands is determined by evapotranspiration, inflow, and water temperature. This study uses system dynamics modeling to develop models for different water resource components in a rural community. Furthermore, these models are integrated into a whole system. The model not only is utilized to simulate how water moves through different components, including residence houses, constructed wetlands and farms, but also evaluates the efficiency of water use. By analyzing the flow of water, the water resource simulation model can optimizes water resource distribution under different scenarios, and the result can provide suggestions for designing water resource system of a rural community. Keywords: Water Resources, Simulation Model, Domestic Water, Irrigation, Constructed Wetland, Rural Community

Regolith Volatile Recovery at Simulated Lunar Environments

NASA Technical Reports Server (NTRS)

Kleinhenz, Julie; Paulsen, Gale; Zacny, Kris; Schmidt, Sherry; Boucher, Dale

2016-01-01

Lunar Polar Volatiles: Permanently shadowed craters at the lunar poles contain water, 5 wt according to LCROSS. Interest in water for ISRU applications. Desire to ground truth water using surface prospecting e.g. Resource Prospector and RESOLVE. How to access subsurface water resources and accurately measure quantity. Excavation operations and exposure to lunar environment may affect the results. Volatile capture tests: A series a ground based dirty thermal vacuum tests are being conducted to better understand the subsurface sampling operations. Sample removal and transfer. Volatiles loss during sampling operations. Concept of operations, Instrumentation. This presentation is a progress report on volatiles capture results from these tests with lunar polar drill prototype hardware.

Spring floods prediction with the use of optical satellite data in Québec

NASA Astrophysics Data System (ADS)

Roy, A.; Royer, A.; Turcotte, R.

2009-04-01

The Centre d'expertise hydrique du Québec (CEHQ) operates a distributed hydrological model, which integrates a snow model, for the management of dams in the south of Québec. It appears that the estimation of the water quantity of snowmelt in spring remains a variable with a large uncertainty and induces generally to an important error in stream flow simulation. Therefore, the National snow and ice center (NSIDC) produces, from MODIS (Moderate Resolution Imaging Spectroradiometer) data, continuous and homogeneous spatial snow cover (snow/swow-free) data on the whole territory, but with a cloud contamination. This research aims to improve the prediction of spring floods and the estimation of the rate of discharge by integrating snow cover data in the CEHQ's snow model. The study is done on two watersheds: du Nord river watershed (45,8°N) and Aux Écorces river watershed (47,9°N). The snow model used in the study (SPH-AV) is an implementation developed by the CEHQ of the snowmelt model of HYDROLTEL in is hydrological forecast system to simulate the melted water. The melted water estimated is then used as input in the empirical hydrological model MOHYSE to simulate stream flow. MODIS data are considered valid only when the cloud cover on each pixel of the watersheds is less then 30%. A pixel by pixel correction is applied to the snow pack when there is a difference between satellite snow cover and modeled snow cover. In the case of model shows to much snow, a factor is applied on temperatures by iterative process (starting from the last valid MODIS data) to melt the snow. In the opposite case, the snow quantity added to the last valid MODIS data is found by iterative process so that the pixel's snow water equivalent is equal to the nonzero neighbor minimum value. The study shows, through the simulations done on the two watersheds, the interest of the use of snow/snow-free product for the operational update of snow water equivalent with the objective to improve spring snowmelt stream flow simulations. The binary aspect (snow/snowfree) of the data is however a limit. Alternatives are discussed (passive microwave data). Keywords : satellite snow cover data, MODIS, satellite data integration, snow model, hydrological model, stream flow simulation, flood.

Proactive modeling of water quality impacts of extreme precipitation events in a drinking water reservoir.

PubMed

Jeznach, Lillian C; Hagemann, Mark; Park, Mi-Hyun; Tobiason, John E

2017-10-01

Extreme precipitation events are of concern to managers of drinking water sources because these occurrences can affect both water supply quantity and quality. However, little is known about how these low probability events impact organic matter and nutrient loads to surface water sources and how these loads may impact raw water quality. This study describes a method for evaluating the sensitivity of a water body of interest from watershed input simulations under extreme precipitation events. An example application of the method is illustrated using the Wachusett Reservoir, an oligo-mesotrophic surface water reservoir in central Massachusetts and a major drinking water supply to metropolitan Boston. Extreme precipitation event simulations during the spring and summer resulted in total organic carbon, UV-254 (a surrogate measurement for reactive organic matter), and total algae concentrations at the drinking water intake that exceeded recorded maximums. Nutrient concentrations after storm events were less likely to exceed recorded historical maximums. For this particular reservoir, increasing inter-reservoir transfers of water with lower organic matter content after a large precipitation event has been shown in practice and in model simulations to decrease organic matter levels at the drinking water intake, therefore decreasing treatment associated oxidant demand, energy for UV disinfection, and the potential for formation of disinfection byproducts. Copyright © 2017 Elsevier Ltd. All rights reserved.

[Coupling SWAT and CE-QUAL-W2 models to simulate water quantity and quality in Shanmei Reservoir watershed].

PubMed

Liu, Mei-Bing; Chen, Dong-Ping; Chen, Xing-Wei; Chen, Ying

2013-12-01

A coupled watershed-reservoir modeling approach consisting of a watershed distributed model (SWAT) and a two-dimensional laterally averaged model (CE-QUAL-W2) was adopted for simulating the impact of non-point source pollution from upland watershed on water quality of Shanmei Reservoir. Using the daily serial output from Shanmei Reservoir watershed by SWAT as the input to Shanmei Reservoir by CE-QUAL-W2, the coupled modeling was calibrated for runoff and outputs of sediment and pollutant at watershed scale and for elevation, temperature, nitrate, ammonium and total nitrogen in Shanmei Reservoir. The results indicated that the simulated values agreed fairly well with the observed data, although the calculation precision of downstream model would be affected by the accumulative errors generated from the simulation of upland model. The SWAT and CE-QUAL-W2 coupled modeling could be used to assess the hydrodynamic and water quality process in complex watershed comprised of upland watershed and downstream reservoir, and might further provide scientific basis for positioning key pollution source area and controlling the reservoir eutrophication.

Large scale hydro-economic modelling for policy support

NASA Astrophysics Data System (ADS)

de Roo, Ad; Burek, Peter; Bouraoui, Faycal; Reynaud, Arnaud; Udias, Angel; Pistocchi, Alberto; Lanzanova, Denis; Trichakis, Ioannis; Beck, Hylke; Bernhard, Jeroen

2014-05-01

To support European Union water policy making and policy monitoring, a hydro-economic modelling environment has been developed to assess optimum combinations of water retention measures, water savings measures, and nutrient reduction measures for continental Europe. This modelling environment consists of linking the agricultural CAPRI model, the LUMP land use model, the LISFLOOD water quantity model, the EPIC water quality model, the LISQUAL combined water quantity, quality and hydro-economic model, and a multi-criteria optimisation routine. With this modelling environment, river basin scale simulations are carried out to assess the effects of water-retention measures, water-saving measures, and nutrient-reduction measures on several hydro-chemical indicators, such as the Water Exploitation Index (WEI), Nitrate and Phosphate concentrations in rivers, the 50-year return period river discharge as an indicator for flooding, and economic losses due to water scarcity for the agricultural sector, the manufacturing-industry sector, the energy-production sector and the domestic sector, as well as the economic loss due to flood damage. Recently, this model environment is being extended with a groundwater model to evaluate the effects of measures on the average groundwater table and available resources. Also, water allocation rules are addressed, while having environmental flow included as a minimum requirement for the environment. Economic functions are currently being updated as well. Recent development and examples will be shown and discussed, as well as open challenges.

Modeling climate change impacts on water trading.

PubMed

Luo, Bin; Maqsood, Imran; Gong, Yazhen

2010-04-01

This paper presents a new method of evaluating the impacts of climate change on the long-term performance of water trading programs, through designing an indicator to measure the mean of periodic water volume that can be released by trading through a water-use system. The indicator is computed with a stochastic optimization model which can reflect the random uncertainty of water availability. The developed method was demonstrated in the Swift Current Creek watershed of Prairie Canada under two future scenarios simulated by a Canadian Regional Climate Model, in which total water availabilities under future scenarios were estimated using a monthly water balance model. Frequency analysis was performed to obtain the best probability distributions for both observed and simulated water quantity data. Results from the case study indicate that the performance of a trading system is highly scenario-dependent in future climate, with trading effectiveness highly optimistic or undesirable under different future scenarios. Trading effectiveness also largely depends on trading costs, with high costs resulting in failure of the trading program. (c) 2010 Elsevier B.V. All rights reserved.

Modeled ground water age distributions

USGS Publications Warehouse

Woolfenden, Linda R.; Ginn, Timothy R.

2009-01-01

The age of ground water in any given sample is a distributed quantity representing distributed provenance (in space and time) of the water. Conventional analysis of tracers such as unstable isotopes or anthropogenic chemical species gives discrete or binary measures of the presence of water of a given age. Modeled ground water age distributions provide a continuous measure of contributions from different recharge sources to aquifers. A numerical solution of the ground water age equation of Ginn (1999) was tested both on a hypothetical simplified one-dimensional flow system and under real world conditions. Results from these simulations yield the first continuous distributions of ground water age using this model. Complete age distributions as a function of one and two space dimensions were obtained from both numerical experiments. Simulations in the test problem produced mean ages that were consistent with the expected value at the end of the model domain for all dispersivity values tested, although the mean ages for the two highest dispersivity values deviated slightly from the expected value. Mean ages in the dispersionless case also were consistent with the expected mean ages throughout the physical model domain. Simulations under real world conditions for three dispersivity values resulted in decreasing mean age with increasing dispersivity. This likely is a consequence of an edge effect. However, simulations for all three dispersivity values tested were mass balanced and stable demonstrating that the solution of the ground water age equation can provide estimates of water mass density distributions over age under real world conditions.

Monitoring Soil Infiltration In Semi-Arid Regions With Meteosat And A Coupled Model Approach Using PROMET And SLC

NASA Astrophysics Data System (ADS)

Klug, P.; Bach, H.; Migdall, S.

2013-12-01

In arid regions the infiltration of sparse rainfalls and resulting ground water recharge is a critical quantity for the water cycle. With the PROMET model the infiltration process can be simulated in detail, since 4 soil layers together with the hourly calculation time step allow simulating the vertical water transport. Wet soils are darker than dry soils. Using the SLC reflectance model this effect can be simulated and compared to temporal high resolution time series of measured reflectances from Meteosat in order to monitor the drying process. This study demonstrates how MSG can be used to better parameterize the simulation of the infiltration process and reduce uncertainties in ground water recharge estimation. The study is carried out in the frame of the EU FP7 project CLIMB (Climate Induced Changes on the Hydrology of Mediterranean Basins). According to climate projections, Mediterranean countries are at risk of changes in the hydrological budget, the agricultural productivity and drinking water supply in the future. The CLIMB FP-7 project coordinated by the University of Munich (LMU) aims at employing integrated hydrological modelling in a new framework to reduce existing uncertainties in climate change impact analysis of the Mediterranean region [1, 2].

On the deterministic and stochastic use of hydrologic models

USGS Publications Warehouse

Farmer, William H.; Vogel, Richard M.

2016-01-01

Environmental simulation models, such as precipitation-runoff watershed models, are increasingly used in a deterministic manner for environmental and water resources design, planning, and management. In operational hydrology, simulated responses are now routinely used to plan, design, and manage a very wide class of water resource systems. However, all such models are calibrated to existing data sets and retain some residual error. This residual, typically unknown in practice, is often ignored, implicitly trusting simulated responses as if they are deterministic quantities. In general, ignoring the residuals will result in simulated responses with distributional properties that do not mimic those of the observed responses. This discrepancy has major implications for the operational use of environmental simulation models as is shown here. Both a simple linear model and a distributed-parameter precipitation-runoff model are used to document the expected bias in the distributional properties of simulated responses when the residuals are ignored. The systematic reintroduction of residuals into simulated responses in a manner that produces stochastic output is shown to improve the distributional properties of the simulated responses. Every effort should be made to understand the distributional behavior of simulation residuals and to use environmental simulation models in a stochastic manner.

Folgen des Globalen Wandels für das Grundwasser in Süddeutschland - Teil 2: Sozioökonomische Aspekte

NASA Astrophysics Data System (ADS)

Barthel, Roland; Krimly, Tatjana; Elbers, Michael; Soboll, Anja; Wackerbauer, Johann; Hennicker, Rolf; Janisch, Stephan; Reichenau, Tim G.; Dabbert, Stephan; Schmude, Jürgen; Ernst, Andreas; Mauser, Wolfram

2011-12-01

In order to account for complex interactions between humans climate and the water cycle, the research consortium GLOWA-Danube (www.glowa-danube.de) has developed the simulation system DANUBIA which consists of 17 coupled models. DANUBIA was applied to investigate various impacts of global-change between 2011 and 2060 in the Upper Danube Catchment. This article describes part 2 of an article series with investigations of socio-economic aspects, while part 1 (Barthel et al. in Grundwasser 16(4), doi:10.1007/s007-011-01794, 2011) deals with natural-spatial aspects. The principles of socio-economic actor-modeling and interactions between socio-economic and natural science model components are described here. We present selected simulations that show impacts on groundwater from changes in agriculture, tourism, economy, domestic water users and water supply. Despite decreases in water consumption, the scenario simulations show significant decreases in groundwater quantity. On the other hand, groundwater quality will likely be influenced more severely by land use changes compared to direct climatic causes. However, overall changes will not be dramatic.

Hydro-environmental management of groundwater resources: A fuzzy-based multi-objective compromise approach

NASA Astrophysics Data System (ADS)

Alizadeh, Mohammad Reza; Nikoo, Mohammad Reza; Rakhshandehroo, Gholam Reza

2017-08-01

Sustainable management of water resources necessitates close attention to social, economic and environmental aspects such as water quality and quantity concerns and potential conflicts. This study presents a new fuzzy-based multi-objective compromise methodology to determine the socio-optimal and sustainable policies for hydro-environmental management of groundwater resources, which simultaneously considers the conflicts and negotiation of involved stakeholders, uncertainties in decision makers' preferences, existing uncertainties in the groundwater parameters and groundwater quality and quantity issues. The fuzzy multi-objective simulation-optimization model is developed based on qualitative and quantitative groundwater simulation model (MODFLOW and MT3D), multi-objective optimization model (NSGA-II), Monte Carlo analysis and Fuzzy Transformation Method (FTM). Best compromise solutions (best management policies) on trade-off curves are determined using four different Fuzzy Social Choice (FSC) methods. Finally, a unanimity fallback bargaining method is utilized to suggest the most preferred FSC method. Kavar-Maharloo aquifer system in Fars, Iran, as a typical multi-stakeholder multi-objective real-world problem is considered to verify the proposed methodology. Results showed an effective performance of the framework for determining the most sustainable allocation policy in groundwater resource management.

CFD Model of Water Droplet Transport for ISS Hygiene Activity

NASA Technical Reports Server (NTRS)

Son, Chang H.

2011-01-01

The goal of the study is to assess the impacts of free water propagation in the Waste and Hygiene Compartment (WHC). Free water can be generated inside the WHC in small quantities due to crew hygiene activity. To mitigate potential impact of free water in Node 3 cabin the WHC doorway is enclosed by a waterproof bump-out, Kabin, with openings at the top and bottom. At the overhead side of the rack, there is a screen that prevents large drops of water from exiting. However, as the avionics fan in the WHC causes airflow toward the deck side of the rack, small quantities of free water may exit at the bottom of the Kabin. A Computational Fluid Dynamics (CFD) analysis of Node 3 cabin airflow made possible to identify the paths of water transport. The Node 3 airflow was computed for several ventilation scenarios. To simulate the droplet transport the Lagrangian discrete phase approach was used. Various initial droplet distributions were considered in the study. The droplet diameter was varied in the range of 2-20 mm. The results of the computations showed that most of the drops fall to the rack surface not far from the WHC curtain. The probability of the droplet transport to the adjacent rack surface with electronic equipment was predicted.

A simple water model in the presence of inert Lennard-Jones obstacles II: the hydrophobic effect

NASA Astrophysics Data System (ADS)

Kurtjak, Mario; Urbic, Tomaz

2015-04-01

Using Monte Carlo computer simulations, hydrophobic effect for a non-polar particle with the diameter of a water molecule was studied in water, confined within a disordered matrix. Freely mobile two-dimensional Mercedes-Benz water was put in a disordered, but fixed, matrix of Lennard-Jones disks. Influence of temperature and matrix properties on the thermodynamic quantities of a non-polar solute solvation was studied. The hydrophobic effect is changed by the presence of the obstacles. Smaller matrix particles change the solute-water structure and thermodynamics drastically, as it was also observed for the properties of pure confined water. The study is bringing new scientific important observations in understanding the role of hydrophobic forces under confinement.

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.

Molecular dynamics simulation of siderite-hematite-quartz flotation with sodium oleate

NASA Astrophysics Data System (ADS)

Li, Lixia; Hao, Haiqing; Yuan, Zhitao; Liu, Jiongtian

2017-10-01

Models of sodium oleate adsorption on siderite, hematite and quartz were investigated by molecular dynamic simulation, respectively. Surface energy was calculated to confirm the cleavage plan of hematite and quartz. Both natural cleavage plane of siderite and calculated plane were used to investigate the flotation of the three minerals. Based on the molecular simulation in solution with water as medium, adsorption quantity and interaction capability of oleate ions on the three minerals indicated that siderite could be collected efficiently by sodium oleate at neutral pH. Results of flotation experiments were further demonstrated by analysis of relative concentration of carbon atoms and oxygen atoms.

Predicting effects of environmental change on river inflows to ...

EPA Pesticide Factsheets

Estuarine river watersheds provide valued ecosystem services to their surrounding communities including drinking water, fish habitat, and regulation of estuarine water quality. However, the provisioning of these services can be affected by changes in the quantity and quality of river water, such as those caused by altered landscapes or shifting temperatures or precipitation. We used the ecohydrology model, VELMA, in the Trask River watershed to simulate the effects of environmental change scenarios on estuarine river inputs to Tillamook Bay (OR) estuary. The Trask River watershed is 453 km2 and contains extensive agriculture, silviculture, urban, and wetland areas. VELMA was parameterized using existing spatial datasets of elevation, soil type, land use, air temperature, precipitation, river flow, and water quality. Simulated land use change scenarios included alterations in the distribution of the nitrogen-fixing tree species Alnus rubra, and comparisons of varying timber harvest plans. Scenarios involving spatial and temporal shifts in air temperature and precipitation trends were also simulated. Our research demonstrates the utility of ecohydrology models such as VELMA to aid in watershed management decision-making. Model outputs of river water flow, temperature, and nutrient concentrations can be used to predict effects on drinking water quality, salmonid populations, and estuarine water quality. This modeling effort is part of a larger framework of

Possible changes in ground-water flow to the Pecos River caused by Santa Rosa Lake, Guadalupe County, New Mexico

USGS Publications Warehouse

Risser, D.W.

1987-01-01

In 1980 Santa Rosa Dam began impounding water on the Pecos River about 7 miles north of Santa Rosa, New Mexico, to provide flood control, sediment control, and storage for irrigation. Santa Rosa Lake has caused changes in the groundwater flow system, which may cause changes in the streamflow of the Pecos River that cannot be detected at the present streamflow gaging stations. Data collected at these stations are used to measure the amount of water available for downstream users. A three-dimensional groundwater flow model for a 950 sq mi area between Anton Chico and Puerto de Luna was used to simulate the effects of Santa Rosa Lake on groundwater flow to a gaining reach of the Pecos River for lake levels of 4,675, 4,715, 4,725, 4,750, 4,776, and 4,797 feet above sea level and durations of impoundment of 30, 90, 182, and 365 days for all levels except 4 ,797 feet. These simulations indicated that streamflow in the Pecos River could increase by as much as 2 cu ft/sec between the dam and Puerto de Luna if the lake level were maintained at 4 ,797 feet for 90 days or 4,776 feet for 1 year. About 90% of this increased streamflow would occur < 0.5 mi downstream from the dam, some of which would be measured at the streamflow gaging station located 0.2 mile downstream from the dam. Simulations also indicated that the lake will affect groundwater flow such that inflow to the study area may be decreased by as much as 1.9 cu ft/sec. This water may leave the Pecos River drainage basin or be diverted back to the Pecos River downstream from the gaging station near Puerto de Luna. In either case, this quantity represents a net loss of water upstream from Puerto de Luna. Most simulations indicated that the decrease in groundwater flow into the study area would be of about the same quantity as the simulated increase in streamflow downstream from the dam. Therefore, the net effect of the lake on the flow of the Pecos River in the study area appears to be negligible. Model simulations indicated that effect of lake levels below 4 ,750 feet on water levels in observation wells completed in the San Andres Limestone could not be distinguished from the effects of other hydrologic stresses. (Author 's abstract)

Anomalies in bulk supercooled water at negative pressure

PubMed Central

Pallares, Gaël; El Mekki Azouzi, Mouna; González, Miguel A.; Aragones, Juan L.; Abascal, José L. F.; Valeriani, Chantal; Caupin, Frédéric

2014-01-01

Water anomalies still defy explanation. In the supercooled liquid, many quantities, for example heat capacity and isothermal compressibility κT, show a large increase. The question arises if these quantities diverge, or if they go through a maximum. The answer is key to our understanding of water anomalies. However, it has remained elusive in experiments because crystallization always occurred before any extremum is reached. Here we report measurements of the sound velocity of water in a scarcely explored region of the phase diagram, where water is both supercooled and at negative pressure. We find several anomalies: maxima in the adiabatic compressibility and nonmonotonic density dependence of the sound velocity, in contrast with a standard extrapolation of the equation of state. This is reminiscent of the behavior of supercritical fluids. To support this interpretation, we have performed simulations with the 2005 revision of the transferable interaction potential with four points. Simulations and experiments are in near-quantitative agreement, suggesting the existence of a line of maxima in κT (LMκT). This LMκT could either be the thermodynamic consequence of the line of density maxima of water [Sastry S, Debenedetti PG, Sciortino F, Stanley HE (1996) Phys Rev E 53:6144–6154], or emanate from a critical point terminating a liquid–liquid transition [Sciortino F, Poole PH, Essmann U, Stanley HE (1997) Phys Rev E 55:727–737]. At positive pressure, the LMκT has escaped observation because it lies in the “no man’s land” beyond the homogeneous crystallization line. We propose that the LMκT emerges from the no man’s land at negative pressure. PMID:24843177

CFD simulation of water vapour condensation in the presence of non-condensable gas in vertical cylindrical condensers.

PubMed

Li, Jun-De

2013-02-01

This paper presents the simulation of the condensation of water vapour in the presence of non-condensable gas using computational fluid dynamics (CFD) for turbulent flows in a vertical cylindrical condenser tube. The simulation accounts for the turbulent flow of the gas mixture, the condenser wall and the turbulent flow of the coolant in the annular channel with no assumptions of constant wall temperature or heat flux. The condensate film is assumed to occupy a negligible volume and its effect on the condensation of the water vapour has been taken into account by imposing a set of boundary conditions. A new strategy is used to overcome the limitation of the currently available commercial CFD package to solve the simultaneous simulation of flows involving multispecies and fluids of gas and liquid in separate channels. The results from the CFD simulations are compared with the experimental results from the literature for the condensation of water vapour with air as the non-condensable gas and for inlet mass fraction of the water vapour from 0.66 to 0.98. The CFD simulation results in general agree well with the directly measured quantities and it is found that the variation of heat flux in the condenser tube is more complex than a simple polynomial curve fit. The CFD results also show that, at least for flows involving high water vapour content, the axial velocity of the gas mixture at the interface between the gas mixture and the condensate film is in general not small and cannot be neglected.

CFD simulation of water vapour condensation in the presence of non-condensable gas in vertical cylindrical condensers

PubMed Central

Li, Jun-De

2013-01-01

This paper presents the simulation of the condensation of water vapour in the presence of non-condensable gas using computational fluid dynamics (CFD) for turbulent flows in a vertical cylindrical condenser tube. The simulation accounts for the turbulent flow of the gas mixture, the condenser wall and the turbulent flow of the coolant in the annular channel with no assumptions of constant wall temperature or heat flux. The condensate film is assumed to occupy a negligible volume and its effect on the condensation of the water vapour has been taken into account by imposing a set of boundary conditions. A new strategy is used to overcome the limitation of the currently available commercial CFD package to solve the simultaneous simulation of flows involving multispecies and fluids of gas and liquid in separate channels. The results from the CFD simulations are compared with the experimental results from the literature for the condensation of water vapour with air as the non-condensable gas and for inlet mass fraction of the water vapour from 0.66 to 0.98. The CFD simulation results in general agree well with the directly measured quantities and it is found that the variation of heat flux in the condenser tube is more complex than a simple polynomial curve fit. The CFD results also show that, at least for flows involving high water vapour content, the axial velocity of the gas mixture at the interface between the gas mixture and the condensate film is in general not small and cannot be neglected. PMID:24850953

Using large-scale diagnostic quantities to investigate change in East Coast Lows

NASA Astrophysics Data System (ADS)

Ji, Fei; Evans, Jason P.; Argueso, Daniel; Fita, Lluis; Di Luca, Alejandro

2015-11-01

East Coast Lows (ECLs) are intense low-pressure systems that affect the eastern seaboard of Australia. They have attracted research interest for both their destructive nature and water supplying capability. Estimating the changes in ECLs in the future has a major impact on emergency response as well as water management strategies for the coastal communities on the east coast of Australia. In this study, ECLs were identified using two large-scale diagnostic quantities: isentropic potential vorticity (IPV) and geostrophic vorticity (GV), which were calculated from outputs of historical and future regional climate simulations from the NSW/ACT regional climate modelling (NARCliM) project. The diagnostic results for the historical period were evaluated against a subjective ECL event database. Future simulations using a high emission scenario were examined to estimate changes in frequency, duration, and intensity of ECLs. The use of a relatively high resolution regional climate model makes this the first study to examine future changes in ECLs while resolving the full range of ECL sizes which can be as small as 100-200 km in diameter. The results indicate that it is likely that there will be fewer ECLs, with weaker intensity in the future. There could also be a seasonal shift in ECLs from cool months to warm months. These changes have the potential to significantly impact the water security on the east coast of Australia.

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.

Simple process-led algorithms for simulating habitats (SPLASH v.1.0): robust indices of radiation, evapotranspiration and plant-available moisture

NASA Astrophysics Data System (ADS)

Davis, Tyler W.; Prentice, I. Colin; Stocker, Benjamin D.; Thomas, Rebecca T.; Whitley, Rhys J.; Wang, Han; Evans, Bradley J.; Gallego-Sala, Angela V.; Sykes, Martin T.; Cramer, Wolfgang

2017-02-01

Bioclimatic indices for use in studies of ecosystem function, species distribution, and vegetation dynamics under changing climate scenarios depend on estimates of surface fluxes and other quantities, such as radiation, evapotranspiration and soil moisture, for which direct observations are sparse. These quantities can be derived indirectly from meteorological variables, such as near-surface air temperature, precipitation and cloudiness. Here we present a consolidated set of simple process-led algorithms for simulating habitats (SPLASH) allowing robust approximations of key quantities at ecologically relevant timescales. We specify equations, derivations, simplifications, and assumptions for the estimation of daily and monthly quantities of top-of-the-atmosphere solar radiation, net surface radiation, photosynthetic photon flux density, evapotranspiration (potential, equilibrium, and actual), condensation, soil moisture, and runoff, based on analysis of their relationship to fundamental climatic drivers. The climatic drivers include a minimum of three meteorological inputs: precipitation, air temperature, and fraction of bright sunshine hours. Indices, such as the moisture index, the climatic water deficit, and the Priestley-Taylor coefficient, are also defined. The SPLASH code is transcribed in C++, FORTRAN, Python, and R. A total of 1 year of results are presented at the local and global scales to exemplify the spatiotemporal patterns of daily and monthly model outputs along with comparisons to other model results.

Documentation of a dissolved-solids model of the Tongue River, southeastern Montana

USGS Publications Warehouse

Woods, Paul F.

1981-01-01

A model has been developed for assessing potential increases in dissolved solids of the Tongue River as a result of leaching of overburden materials used to backfill pits in surface coal-mining operations. The model allows spatial and temporal simulation of streamflow and dissolved-solids loads and concentrations under user-defined scenarios of surface coal mining and agricultural development. The model routes an input quantity of streamflow and dissolved solids from the upstream end to the downstream end of a stream reach while algebraically accounting for gains and losses of streamflow and dissolved solids within the stream reach. Input data needed to operate the model include the following: simulation number, designation of hydrologic conditions for each simulated month, either user-defined or regression-defined concentrations of dissolved solids input by the Tongue River Reservoir, number of irrigated acres, number of mined acres, dissolved-solids concentration of mine leachates and quantity of other water losses. A listing of the Fortran computer program, definitions of all variables in the model, and an example output permit use of the model by interested persons. (USGS)

Better Insight Into Water Resources Management With Integrated Hydrodynamic And Water Quality Models

NASA Astrophysics Data System (ADS)

Debele, B.; Srinivasan, R.; Parlange, J.

2004-12-01

Models have long been used in water resources management to guide decision making and improve understanding of the system. Numerous models of different scales -spatial and temporal - are available. Yet, very few models manage to bridge simulations of hydrological and water quality parameters from both upland watershed and riverine system. Most water quality models, such as QUAL2E and EPD-RIV1 concentrate on the riverine system while CE-QUAL-W2 and WASP models focus on larger waterbodies, such as lakes and reservoirs. On the other hand, the original SWAT model, HSPF and other upland watershed hydrological models simulate agricultural (diffuse) pollution sources with limited number of processes incorporated to handle point source pollutions that emanate from industrial sectors. Such limitations, which are common in most hydrodynamic and water quality models undermine better understanding that otherwise could be uncovered by employing integrated hydrological and water quality models for both upland watershed and riverine system. The SWAT model is a well documented and verified hydrological and water quality model that has been developed to simulate the effects of various management scenarios on the health of the environment in terms of water quantity and quality. Recently, the SWAT model has been extended to include the simulation of hydrodynamic and water quality parameters in the river system. The extended SWAT model (ESWAT) has been further extended to run using diurnally varying (hourly) weather data and produce outputs at hourly timescales. This and other improvements in the ESWAT model have been documented in the current work. Besides, the results from two case studies in Texas will be reported.

Water Quantity and Water Quality Impacts of Intensive Woody Biomass Feedstock Production in the Southeastern US.

NASA Astrophysics Data System (ADS)

Bitew, M. M.; Jackson, C. R.; Vache, K. B.; Griffiths, N.; Starr, G.; McDonnell, J.; Rau, B.; Younger, S. E.; Fouts, K.

2016-12-01

Intensively managed loblolly pine is a candidate species for biofuel feedstock production in the southeastern Coastal Plain of the United States. However, the water quantity and quality effects of high intensity, short-rotation silviculture are largely unknown. Here we evaluate the potential hydrologic and water quality impacts of biofuel-induced land use changes based on model scenarios developed using existing forest BMPs and industry wide experiences. We quantified the effect of bio-energy production scenarios on each of water the balance components by applying an integrated physically based distributed watershed modeling system, and multi-objective assessment functions that accurately describes the flow regimes, water quality, and isotopic observations from three experimental headwater watersheds of Fourmile Creek at Savannah River Site, SC. The model incorporates optimized travel times of groundwater flowpaths and flow control processes in the riparian region allowing water quality analysis of groundwater dominated watershed systems. We compared five different short rotation pine management scenarios ranging from 35 year (low intensity) to 10 year (high intensity) rotations and a mixture of forestry and agriculture/pasture production practices. Simulation results, based on long-term climate records, revealed that complete conversion to short-rotation woody crops would have a negligible effect on water budget components; <2% decrease in streamflow, <1.5% increase in actual evapotranspiration, an average 0.5 m fall in the groundwater table, and no change in subsurface flow due to biofuel production. Simulation results of mixed 50% agriculture and pasture and 50% short-rotation woody crops showed the largest deviation in water budget components compared to the reference condition. Analysis of extreme stream flows showed that the largest effect was observed in the low intensity mixed land use scenario. The smallest effect was in the low intensity biomass production scenario with a 0.5% increase in a 100 year return event.

Skill of ship-following large-eddy simulations in reproducing MAGIC observations across the northeast Pacific stratocumulus to cumulus transition region

DOE PAGES

McGibbon, J.; Bretherton, C. S.

2017-03-17

During the Marine ARM GPCI Investigation of Clouds (MAGIC) in October 2011 to September 2012, a container ship making periodic cruises between Los Angeles, CA, and Honolulu, HI, was instrumented with surface meteorological, aerosol and radiation instruments, a cloud radar and ceilometer, and radiosondes. Here large-eddy simulation (LES) is performed in a ship-following frame of reference for 13 four day transects from the MAGIC field campaign. The goal is to assess if LES can skillfully simulate the broad range of observed cloud characteristics and boundary layer structure across the subtropical stratocumulus to cumulus transition region sampled during different seasons andmore » meteorological conditions. Results from Leg 15A, which sampled a particularly well-defined stratocumulus to cumulus transition, demonstrate the approach. The LES reproduces the observed timing of decoupling and transition from stratocumulus to cumulus and matches the observed evolution of boundary layer structure, cloud fraction, liquid water path, and precipitation statistics remarkably well. Considering the simulations of all 13 cruises, the LES skillfully simulates the mean diurnal variation of key measured quantities, including liquid water path (LWP), cloud fraction, measures of decoupling, and cloud radar-derived precipitation. The daily mean quantities are well represented, and daily mean LWP and cloud fraction show the expected correlation with estimated inversion strength. There is a –0.6 K low bias in LES near-surface air temperature that results in a high bias of 5.6 W m –2 in sensible heat flux (SHF). Altogether, these results build confidence in the ability of LES to represent the northeast Pacific stratocumulus to trade cumulus transition region.« less

Establishing politically feasible water markets: a multi-criteria approach.

PubMed

Ballestero, Enrique; Alarcón, Silverio; García-Bernabeu, Ana

2002-08-01

A multiple criteria decision-making (MCDM) model to simulate the establishment of water markets is developed. The environment is an irrigated area governed by a non-profit agency, which is responsible for water production, allocation, and pricing. There is a traditional situation of historical rights, average-cost pricing for water allocation, large quantities of water used, and inefficiency. A market-oriented policy could be implemented by accounting for ecological and political objectives such as saving groundwater and safeguarding historical rights while promoting economic efficiency. In this paper, a problem is solved by compromise programming, a multi-criteria technique based on the principles of Simonian logic. The model is theoretically developed and applied to the Lorca region in Spain near the Mediterranean Sea.

Atomic-Scale Simulation of Electrochemical Processes at Electrode/Water Interfaces under Referenced Bias Potential.

PubMed

Bouzid, Assil; Pasquarello, Alfredo

2018-04-19

Based on constant Fermi-level molecular dynamics and a proper alignment scheme, we perform simulations of the Pt(111)/water interface under variable bias potential referenced to the standard hydrogen electrode (SHE). Our scheme yields a potential of zero charge μ pzc of ∼0.22 eV relative to the SHE and a double layer capacitance C dl of ≃19 μF cm -2 , in excellent agreement with experimental measurements. In addition, we study the structural reorganization of the electrical double layer for bias potentials ranging from -0.92 eV to +0.44 eV and find that O down configurations, which are dominant at potentials above the pzc, reorient to favor H down configurations as the measured potential becomes negative. Our modeling scheme allows one to not only access atomic-scale processes at metal/water interfaces, but also to quantitatively estimate macroscopic electrochemical quantities.

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.

A geochemical module for "AMDTreat" to compute caustic quantity, effluent quantity, and sludge volume

USGS Publications Warehouse

Cravotta, Charles A.; Parkhurst, David L.; Means, Brent P; McKenzie, Bob; Morris, Harry; Arthur, Bill

2010-01-01

Treatment with caustic chemicals typically is used to increase pH and decrease concentrations of dissolved aluminum, iron, and/or manganese in largevolume, metal-laden discharges from active coal mines. Generally, aluminum and iron can be removed effectively at near-neutral pH (6 to 8), whereas active manganese removal requires treatment to alkaline pH (~10). The treatment cost depends on the specific chemical used (NaOH, CaO, Ca(OH)2, Na2CO3, or NH3) and increases with the quantities of chemical added and sludge produced. The pH and metals concentrations do not change linearly with the amount of chemical added. Consequently, the amount of caustic chemical needed to achieve a target pH and the corresponding effluent composition and sludge volume can not be accurately determined without empirical titration data or the application of geochemical models to simulate the titration of the discharge water with caustic chemical(s). The AMDTreat computer program (http://amd.osmre.gov/ ) is widely used to compute costs for treatment of coal-mine drainage. Although AMDTreat can use results of empirical titration with industrial grade caustic chemicals to compute chemical costs for treatment of net-acidic or net-alkaline mine drainage, such data are rarely available. To improve the capability of AMDTreat to estimate (1) the quantity and cost of caustic chemicals to attain a target pH, (2) the concentrations of dissolved metals in treated effluent, and (3) the volume of sludge produced by the treatment, a titration simulation is being developed using the geochemical program PHREEQC (wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc/) that will be coupled as a module to AMDTreat. The simulated titration results can be compared with or used in place of empirical titration data to estimate chemical quantities and costs. This paper describes the development, evaluation, and potential utilization of the PHREEQC titration module for AMDTreat.

Simulated effects of proposed reservoir-development alternatives on streamflow quantity in the White River, Colorado and Utah

USGS Publications Warehouse

Kuhn, Gerhard; Ellis, S.R.

1984-01-01

Numerous reservoirs have been proposed for the White River basin in Colorado and Utah, primarily to provide water for oil-shale development. A multireservoir-flow model was used to simulate the effects of streamflow withdrawal at four of the proposed reservoirs using historical streamflow data from the 1932-81 water years. The proposed reservoirs considered in the study were Avery, Powell Park, Taylor Draw, and White River Reservoirs; construction of Taylor Draw Dam was completed during the study. Annual streamflow depletions from the White River ranging from about 93,000 to 226,000 acre-feet were simulated for the 50 year period. Simulated streamflow throughout the year generally became smaller and more constant as streamflow throughout the year generally became smaller and more constant as streamflow depletion increased. Minimum streamflow requirements would not have been met for a maximum of 13 years and water-use requirements associated with the proposed reservoirs would not have been met for a maximum of 3 years. The current water-use pattern, which depletes about 40,000 acre-feet per year and is dominated by irrigation of hay meadows and pastureland, was maintained in the simulation. Relations between reservoir active capacity and yield applicable to the White River also were developed. These relations show that reservoir storage of about 400,000 acre-feet is the maximum practicable for the White River. (USGS)

Management of Water Quantity and Quality Based on Copula for a Tributary to Miyun Reservoir, Beijing

NASA Astrophysics Data System (ADS)

Zang, N.; Wang, X.; Liang, P.

2017-12-01

Due to the complex mutual influence between water quantity and water quality of river, it is difficult to reflect the actual characters of the tributaries to reservoir. In this study, the acceptable marginal probability distributions for water quantity and quality of reservoir inflow were calculated. A bivariate Archimedean copula was further applied to establish the joint distribution function of them. Then multiple combination scenarios of water quantity and water quality were designed to analyze their coexistence relationship and reservoir management strategies. Taking Bai river, an important tributary into the Miyun Reservoir, as a study case. The results showed that it is feasible to apply Frank copula function to describe the jointed distribution function of water quality and water quantity for Bai river. Furthermore, the monitoring of TP concentration needs to be strengthen in Bai river. This methodology can be extended to larger dimensions and is transferable to other reservoirs via establishment of models with relevant data for a particular area. Our findings help better analyzing the coexistence relationship and influence degree of the water quantity and quality of the tributary to reservoir for the purpose of water resources protection.

Sensitivity analysis for the coupling of a subglacial hydrology model with a 3D ice-sheet model.

NASA Astrophysics Data System (ADS)

Bertagna, L.; Perego, M.; Gunzburger, M.; Hoffman, M. J.; Price, S. F.

2017-12-01

When studying the movement of ice sheets, one of the most important factors that influence the velocity of the ice is the amount of friction against the bedrock. Usually, this is modeled by a friction coefficient that may depend on the bed geometry and other quantities, such as the temperature and/or water pressure at the ice-bedrock interface. These quantities are often assumed to be known (either by indirect measurements or by means of parameter estimation) and constant in time. Here, we present a 3D computational model for the simulation of the ice dynamics which incorporates a 2D model proposed by Hewitt (2011) for the subglacial water pressure. The hydrology model is fully coupled with the Blatter-Pattyn model for the ice sheet flow, as the subglacial water pressure appears in the expression for the ice friction coefficient, and the ice velocity appears as a source term in the hydrology model. We will present results on real geometries, and perform a sensitivity analysis with respect to the hydrology model parameters.

Molecular Dynamics in Physiological Solutions: Force Fields, Alkali Metal Ions, and Ionic Strength.

PubMed

Zhang, Chao; Raugei, Simone; Eisenberg, Bob; Carloni, Paolo

2010-07-13

The monovalent ions Na(+) and K(+) and Cl(-) are present in any living organism. The fundamental thermodynamic properties of solutions containing such ions is given as the excess (electro-)chemical potential differences of single ions at finite ionic strength. This quantity is key for many biological processes, including ion permeation in membrane ion channels and DNA-protein interaction. It is given by a chemical contribution, related to the ion activity, and an electric contribution, related to the Galvani potential of the water/air interface. Here we investigate molecular dynamics based predictions of these quantities by using a variety of ion/water force fields commonly used in biological simulation, namely the AMBER (the newly developed), CHARMM, OPLS, Dang95 with TIP3P, and SPC/E water. Comparison with experiment is made with the corresponding values for salts, for which data are available. The calculations based on the newly developed AMBER force field with TIP3P water agrees well with experiment for both KCl and NaCl electrolytes in water solutions, as previously reported. The simulations based on the CHARMM-TIP3P and Dang95-SPC/E force fields agree well for the KCl and NaCl solutions, respectively. The other models are not as accurate. Single cations excess (electro-)chemical potential differences turn out to be similar for all the force fields considered here. In the case of KCl, the calculated electric contribution is consistent with higher level calculations. Instead, such agreement is not found with NaCl. Finally, we found that the calculated activities for single Cl(-) ions turn out to depend clearly on the type of counterion used, with all the force fields investigated. The implications of these findings for biomolecular systems are discussed.

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.

A negotiation support system for disputes between Iraq and Turkey over the Tigris-Euphrates basin

NASA Astrophysics Data System (ADS)

Zagonari, Fabio; Rossi, Claudio

2014-06-01

This paper describes a flexible prototype negotiation support system (NSS), to be used in a participatory context, based on the negotiation setting that was suggested by Turkey: bilateral negotiations between Turkey and Iraq, annual analysis, the assumption that Iraq and Syria have no inherent water rights, differences in water entitlements or needs are neglected, analysis restricted to the Tigris-Euphrates basin, current irrigation technologies in Turkey and Iraq, and negotiations on water quantity and quality that account for national dam construction plans. The analysis is based on all principles of the 1997 UN Convention that are recognised by Turkey: net benefits defined at a basin level, equitable use, non-significant harm, maintenance of water quality. The goal is to achieve a balance of interests among the parties that combines analysis of the quantity and quality of water and the net benefits. The negotiation outcomes arise from simulated dynamic interactions between the parties. We demonstrate an application of the NSS based on plausible and reasonable, but tentative, data to provide insights into water allocation rules, side-payments, water requirements of the two parties, and cooperation. Allocations should meet Iraqi non-significant harm and equitable use constraints and allocate the remaining water to Turkey for agricultural use in the feasible negotiation scenario, whereas allocations should meet Turkish maximum agricultural water demands and allocate the remaining water to Iraq for agricultural use in the unlikely cooperation scenario.

Access to improved water and its relationship with diarrhoea in Kathmandu Valley, Nepal: a cross-sectional study

PubMed Central

Shrestha, Salina; Aihara, Yoko; Yoden, Kanako; Yamagata, Zentaro; Nishida, Kei; Kondo, Naoki

2013-01-01

Objective To assess the associations between diarrhoea and types of water sources, total quantity of water consumed and the quantity of improved water consumed in rapidly growing, highly populated urban areas in developing countries. Design Cross-sectional analysis using population-representative secondary data obtained from an interview survey conducted by the Asian Development Bank for the 2009 Kathmandu Valley Water Distribution, Sewerage and Urban Development Project. Setting Kathmandu Valley, Nepal. Participants 2282 households. Methods A structured questionnaire was used to collect information from households on the quantity and sources of water consumed; health, socioeconomic and demographic status of households; drinking water treatment practices and toilet facilities. Results Family members of 179 households (7.8%) reported having developed diarrhoea during the previous month. For households in which family members consumed less than 100 L of water per capita per day (L/c/d), which is the minimum quantity recommended by WHO, the risk of contracting diarrhoea doubled (1.56-fold to 2.92-fold). In households that used alternative water sources (such as wells, stone spouts and springs) in addition to improved water (provided by a water management authority), the likelihood of contracting diarrhoea was 1.81-fold higher (95% CI 1.00 to 3.29) than in those that used only improved water. However, access to an improved water source was not associated with a lower risk of developing diarrhoea if optimal quantities of water were not consumed (ie, <100 L/c/d). These results were independent of socioeconomic and demographic variables, daily drinking water treatment practices, toilet facilities and residential areas. Conclusions Providing access to a sufficient quantity of water—regardless of the source—may be more important in preventing diarrhoea than supplying a limited quantity of improved water. PMID:23811169

Trace organic chemical attenuation during managed aquifer recharge: Insights from a variably saturated 2D tank experiment

NASA Astrophysics Data System (ADS)

Regnery, Julia; Lee, Jonghyun; Drumheller, Zachary W.; Drewes, Jörg E.; Illangasekare, Tissa H.; Kitanidis, Peter K.; McCray, John E.; Smits, Kathleen M.

2017-05-01

Meaningful model-based predictions of water quality and quantity are imperative for the designed footprint of managed aquifer recharge installations. A two-dimensional (2D) synthetic MAR system equipped with automated sensors (temperature, water pressure, conductivity, soil moisture, oxidation-reduction potential) and embedded water sampling ports was used to test and model fundamental subsurface processes during surface spreading managed aquifer recharge operations under controlled flow and redox conditions at the meso-scale. The fate and transport of contaminants in the variably saturated synthetic aquifer were simulated using the finite element analysis model, FEFLOW. In general, the model concurred with travel times derived from contaminant breakthrough curves at individual sensor locations throughout the 2D tank. However, discrepancies between measured and simulated trace organic chemical concentrations (i.e., carbamazepine, sulfamethoxazole, tris (2-chloroethyl) phosphate, trimethoprim) were observed. While the FEFLOW simulation of breakthrough curves captured overall shapes of trace organic chemical concentrations well, the model struggled with matching individual data points, although compound-specific attenuation parameters were used. Interestingly, despite steady-state operation, oxidation-reduction potential measurements indicated temporal disturbances in hydraulic properties in the saturated zone of the 2D tank that affected water quality.

A simulation-based approach for estimating premining water quality: Red Mountain Creek, Colorado

USGS Publications Warehouse

Runkel, Robert L.; Kimball, Briant A; Walton-Day, Katherine; Verplanck, Philip L.

2007-01-01

Regulatory agencies are often charged with the task of setting site-specific numeric water quality standards for impaired streams. This task is particularly difficult for streams draining highly mineralized watersheds with past mining activity. Baseline water quality data obtained prior to mining are often non-existent and application of generic water quality standards developed for unmineralized watersheds is suspect given the geology of most watersheds affected by mining. Various approaches have been used to estimate premining conditions, but none of the existing approaches rigorously consider the physical and geochemical processes that ultimately determine instream water quality. An approach based on simulation modeling is therefore proposed herein. The approach utilizes synoptic data that provide spatially-detailed profiles of concentration, streamflow, and constituent load along the study reach. This field data set is used to calibrate a reactive stream transport model that considers the suite of physical and geochemical processes that affect constituent concentrations during instream transport. A key input to the model is the quality and quantity of waters entering the study reach. This input is based on chemical analyses available from synoptic sampling and observed increases in streamflow along the study reach. Given the calibrated model, additional simulations are conducted to estimate premining conditions. In these simulations, the chemistry of mining-affected sources is replaced with the chemistry of waters that are thought to be unaffected by mining (proximal, premining analogues). The resultant simulations provide estimates of premining water quality that reflect both the reduced loads that were present prior to mining and the processes that affect these loads as they are transported downstream. This simulation-based approach is demonstrated using data from Red Mountain Creek, Colorado, a small stream draining a heavily-mined watershed. Model application to the premining problem for Red Mountain Creek is based on limited field reconnaissance and chemical analyses; additional field work and analyses may be needed to develop definitive, quantitative estimates of premining water quality.

Molecular Dynamics Analysis of Lysozyme Protein in Ethanol-Water Mixed Solvent Environment

NASA Astrophysics Data System (ADS)

Ochije, Henry Ikechukwu

Effect of protein-solvent interaction on the protein structure is widely studied using both experimental and computational techniques. Despite such extensive studies molecular level understanding of proteins and some simple solvents is still not fully understood. This work focuses on detailed molecular dynamics simulations to study of solvent effect on lysozyme protein, using water, alcohol and different concentrations of water-alcohol mixtures as solvents. The lysozyme protein structure in water, alcohol and alcohol-water mixture (0-12% alcohol) was studied using GROMACS molecular dynamics simulation code. Compared to water environment, the lysozome structure showed remarkable changes in solvents with increasing alcohol concentration. In particular, significant changes were observed in the protein secondary structure involving alpha helices. The influence of alcohol on the lysozyme protein was investigated by studying thermodynamic and structural properties. With increasing ethanol concentration we observed a systematic increase in total energy, enthalpy, root mean square deviation (RMSD), and radius of gyration. a polynomial interpolation approach. Using the resulting polynomial equation, we could determine above quantities for any intermediate alcohol percentage. In order to validate this approach, we selected an intermediate ethanol percentage and carried out full MD simulation. The results from MD simulation were in reasonably good agreement with that obtained using polynomial approach. Hence, the polynomial approach based method proposed here eliminates the need for computationally intensive full MD analysis for the concentrations within the range (0-12%) studied in this work.

Geology and occurrence of ground water in Lyon County, Minnesota

USGS Publications Warehouse

Rodis, Harry G.

1963-01-01

Large quantities of ground water are available from melt-water channels in the county. Moderate quantities, adequate for domestic and small industrial needs, are available from many of the small isolated deposits of sand and gravel in the till. Small quantities of ground water, adequate only for domestic supply, generally can be obtained from Cretaceous sandstone.

Influence of Initial Moisture Content on Heat and Moisture Transfer in Firefighters' Protective Clothing

PubMed Central

He, Song

2017-01-01

This paper presents a model for heat and moisture transfer through firefighters' protective clothing (FPC) during radiation exposure. The model, which accounts for air gaps in the FPC as well as heat transfer through human skin, investigates the effect of different initial moisture contents on the thermal insulation performance of FPC. Temperature, water vapor density, and the volume fraction of liquid water profiles were monitored during the simulation, and the heat quantity absorbed by water evaporation was calculated. Then the maximum durations of heat before the wearer acquires first- and second-degree burns were calculated based on the bioheat transfer equation and the Henriques equation. The results show that both the moisture weight in each layer and the total moisture weight increase linearly within a given environmental humidity level. The initial moisture content in FPC samples significantly influenced the maximum water vapor density. The first- and second-degree burn injury time increase 16 sec and 18 sec when the RH increases from 0% to 90%. The total quantity of heat accounted for by water evaporation was about 10% when the relative humidity (RH) is 80%. Finally, a linear relationship was identified between initial moisture content and the human skin burn injury time before suffering first- and second-degree burn injuries. PMID:28466066

Influence of Initial Moisture Content on Heat and Moisture Transfer in Firefighters' Protective Clothing.

PubMed

Huang, Dongmei; He, Song

2017-01-01

This paper presents a model for heat and moisture transfer through firefighters' protective clothing (FPC) during radiation exposure. The model, which accounts for air gaps in the FPC as well as heat transfer through human skin, investigates the effect of different initial moisture contents on the thermal insulation performance of FPC. Temperature, water vapor density, and the volume fraction of liquid water profiles were monitored during the simulation, and the heat quantity absorbed by water evaporation was calculated. Then the maximum durations of heat before the wearer acquires first- and second-degree burns were calculated based on the bioheat transfer equation and the Henriques equation. The results show that both the moisture weight in each layer and the total moisture weight increase linearly within a given environmental humidity level. The initial moisture content in FPC samples significantly influenced the maximum water vapor density. The first- and second-degree burn injury time increase 16 sec and 18 sec when the RH increases from 0% to 90%. The total quantity of heat accounted for by water evaporation was about 10% when the relative humidity (RH) is 80%. Finally, a linear relationship was identified between initial moisture content and the human skin burn injury time before suffering first- and second-degree burn injuries.

Validation of SWAT+ at field level and comparison with previous SWAT models in simulating hydrologic quantity

NASA Astrophysics Data System (ADS)

GAO, J.; White, M. J.; Bieger, K.; Yen, H.; Arnold, J. G.

2017-12-01

Over the past 20 years, the Soil and Water Assessment Tool (SWAT) has been adopted by many researches to assess water quantity and quality in watersheds around the world. As the demand increases in facilitating model support, maintenance, and future development, the SWAT source code and data have undergone major modifications over the past few years. To make the model more flexible in terms of interactions of spatial units and processes occurring in watersheds, a completely revised version of SWAT (SWAT+) was developed to improve SWAT's ability in water resource modelling and management. There are only several applications of SWAT+ in large watersheds, however, no study pays attention to validate the new model at field level and assess its performance. To test the basic hydrologic function of SWAT+, it was implemented in five field cases across five states in the U.S. and compared the SWAT+ created results with that from the previous models at the same fields. Additionally, an automatic calibration tool was used to test which model is easier to be calibrated well in a limited number of parameter adjustments. The goal of the study was to evaluate the performance of SWAT+ in simulating stream flow on field level at different geographical locations. The results demonstrate that SWAT+ demonstrated similar performance with previous SWAT model, but the flexibility offered by SWAT+ via the connection of different spatial objects can result in a more accurate simulation of hydrological processes in spatial, especially for watershed with artificial facilities. Autocalibration shows that SWAT+ is much easier to obtain a satisfied result compared with the previous SWAT. Although many capabilities have already been enhanced in SWAT+, there exist inaccuracies in simulation. This insufficiency will be improved with advancements in scientific knowledge on hydrologic process in specific watersheds. Currently, SWAT+ is prerelease, and any errors are being addressed.

Water quality modeling in the systems impact assessment model for the Klamath River basin - Keno, Oregon to Seiad Valley, California

USGS Publications Warehouse

Hanna, R. Blair; Campbell, Sharon G.

2000-01-01

This report describes the water quality model developed for the Klamath River System Impact Assessment Model (SIAM). The Klamath River SIAM is a decision support system developed by the authors and other US Geological Survey (USGS), Midcontinent Ecological Science Center staff to study the effects of basin-wide water management decisions on anadromous fish in the Klamath River. The Army Corps of Engineersa?? HEC5Q water quality modeling software was used to simulate water temperature, dissolved oxygen and conductivity in 100 miles of the Klamath River Basin in Oregon and California. The water quality model simulated three reservoirs and the mainstem Klamath River influenced by the Shasta and Scott River tributaries. Model development, calibration and two validation exercises are described as well as the integration of the water quality model into the SIAM decision support system software. Within SIAM, data are exchanged between the water quantity model (MODSIM), the water quality model (HEC5Q), the salmon population model (SALMOD) and methods for evaluating ecosystem health. The overall predictive ability of the water quality model is described in the context of calibration and validation error statistics. Applications of SIAM and the water quality model are described.

Water Resources by 2100 in Mountains with Declining Glaciers

NASA Astrophysics Data System (ADS)

Beniston, M.

2015-12-01

Future shifts in temperature and precipitation patterns, and changes in the behavior of snow and ice - and possibly the quasi-disappearance of glaciers - in many mountain regions will change the quantity, seasonality, and possibly also the quality of water originating in mountains and uplands. As a result, changing water availability will affect both upland and populated lowland areas. Economic sectors such as agriculture, tourism or hydropower may enter into rivalries if water is no longer available in sufficient quantities or at the right time of the year. The challenge is thus to estimate as accurately as possible future changes in order to prepare the way for appropriate adaptation strategies and improved water governance. The European ACQWA project, coordinated by the author, aimed to assess the vulnerability of water resources in mountain regions such as the European Alps, the Central Chilean Andes, and the mountains of Central Asia (Kyrgyzstan) where declining snow and ice are likely to strongly affect hydrological regimes in a warmer climate. Based on RCM (Regional Climate Model) simulations, a suite of cryosphere, biosphere and economic models were then used to quantify the environmental, economic and social impacts of changing water resources in order to assess how robust current water governance strategies are and what adaptations may be needed to alleviate the most negative impacts of climate change on water resources and water use. Hydrological systems will respond in quantity and seasonality to changing precipitation patterns and to the timing of snow-melt in the studied mountain regions, with a greater risk of flooding during the spring and droughts in summer and fall. The direct and indirect impacts of a warming climate will affect key economic sectors such as tourism, hydropower, agriculture and the insurance industry that will be confronted to more frequent natural disasters. The results from the ACQWA project suggest that there is a need for a more integrated and comprehensive approach to water use and management. In particular, beyond the conventional water basin management perspective, there is a need to consider other socio-economic factors and the manner in which water policies interact with, or are affected by, other policies at the local, national, and supra-national levels.

18 CFR 806.6 - Transfer of approvals.

Code of Federal Regulations, 2011 CFR

2011-04-01

... paragraph, changes in the quantity of water withdrawal, diversion or consumptive use shall only relate to... quantity of water withdrawal, diversion or consumptive use associated with the project do not change pending review of the application. For purposes of this paragraph, changes in the quantity of water...

Probing antibody internal dynamics with fluorescence anisotropy and molecular dynamics simulations.

PubMed

Kortkhonjia, Ekaterine; Brandman, Relly; Zhou, Joe Zhongxiang; Voelz, Vincent A; Chorny, Ilya; Kabakoff, Bruce; Patapoff, Thomas W; Dill, Ken A; Swartz, Trevor E

2013-01-01

The solution dynamics of antibodies are critical to antibody function. We explore the internal solution dynamics of antibody molecules through the combination of time-resolved fluorescence anisotropy experiments on IgG1 with more than two microseconds of all-atom molecular dynamics (MD) simulations in explicit water, an order of magnitude more than in previous simulations. We analyze the correlated motions with a mutual information entropy quantity, and examine state transition rates in a Markov-state model, to give coarse-grained descriptors of the motions. Our MD simulations show that while there are many strongly correlated motions, antibodies are highly flexible, with F(ab) and F(c) domains constantly forming and breaking contacts, both polar and non-polar. We find that salt bridges break and reform, and not always with the same partners. While the MD simulations in explicit water give the right time scales for the motions, the simulated motions are about 3-fold faster than the experiments. Overall, the picture that emerges is that antibodies do not simply fluctuate around a single state of atomic contacts. Rather, in these large molecules, different atoms come in contact during different motions.

Pollutant load removal efficiency of pervious pavements: is clogging an issue?

PubMed

Kadurupokune, N; Jayasuriya, N

2009-01-01

Pervious pavements in car parks and driveways reduce the peak runoff rate and the quantity of runoff discharged into urban drains as well as improve the stormwater quality by trapping the sediments in the infiltrated water. The paper focuses on presenting results from the laboratory tests carried out to evaluate water quality improvements and effects of long-term decrease in infiltration rates with time due to sediments trapping (clogging) within the pavement pores. Clogging was not found to be a major factor affecting pervious pavement performance after simulating 17 years of stormwater quality samples.

Uncertainties in simulating river/groundwater exchanges over the Upper Rhine Graben hydrosystem

NASA Astrophysics Data System (ADS)

Vergnes, Jean-Pierre; Habets, Florence

2014-05-01

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 an effective management of water resources. Characterization of these fluxes in term of quantity and spatio-temporal variability depends on choices made to represent the river water stage in the model as well as on the hydrogeological parameters. Recently, a coupled surface-subsurface model has been applied to the whole aquifer basin (Thierion et al., 2012). The present study aims at improving the estimation of the river/groundwater exchange, and thus, of the hydrodynamic of the alluvial aquifer, and at getting an idea of the associated uncertainty by performing a set of simulations that best take advantage of the different kinds of observed data. The general modeling strategy is based on the Eau-Dyssée modeling platform which couples existing specialized models to address water resources quantity and quality in small to regional scale river basins. In this study, Eau-Dyssée includes the ISBA surface scheme that estimates the water balance, the RAPID river routing model and the SAM hydrogeological model. In addition, the QtoZ module (Saleh et al., 2011) is used to calculate the river stage from simulated river discharges, which is then used to calculate the exchanges between aquifer units and river, according to three different approaches that are compared: a control experiment with constant river water stage, a rating curves approach derived from observed river discharges and river stages, and the Manning's formula, for which Manning's parameters are defined according to geomorphological parameterizations and topographic data based on Digital Elevation Model (DEM). Supplementary sensitivity tests are also performed by using different hydrogeological parameter datasets (porosity and transmissivity). Two sources of DEM were used for this part. Additionally, sensitivity to the time step of the estimation (daily versus monthly) was studied. The evaluation is made against observed water levels and river discharges collected both from the french and german riversides of the alluvial plain. A heavy network of water table depth observations is also available to evaluate the simulated piezometric heads. Preliminary results 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. It confirms the need to access to more accurate DEM for estimating riverbed elevation and studying groundwater-river interactions, at least at regional scale. References Saleh, F., Flipo, N., Habets, F., Ducharne, A., Oudin, L., Viennot, P., Ledoux, E. Modeling the impact of in-stream water level fluctuations on stream-aquifer interactions at the regional scale (2011)Journal of Hydrology, 400 (3-4) pp 490-500 Thierion C., Longuevergne L., Habets F. Ledoux E., Ackerer P., Majdalani S., Leblois E., Lecluse S., Martin E, Queguiner S., Viennot P., Assessing the water balance of the Upper Rhine Graben hydrosystem, Journal of Hydrology 424-425 , pp. 68-83

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.

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.

On the accuracy of the MB-pol many-body potential for water: Interaction energies, vibrational frequencies, and classical thermodynamic and dynamical properties from clusters to liquid water and ice

NASA Astrophysics Data System (ADS)

Reddy, Sandeep K.; Straight, Shelby C.; Bajaj, Pushp; Huy Pham, C.; Riera, Marc; Moberg, Daniel R.; Morales, Miguel A.; Knight, Chris; Götz, Andreas W.; Paesani, Francesco

2016-11-01

The MB-pol many-body potential has recently emerged as an accurate molecular model for water simulations from the gas to the condensed phase. In this study, the accuracy of MB-pol is systematically assessed across the three phases of water through extensive comparisons with experimental data and high-level ab initio calculations. Individual many-body contributions to the interaction energies as well as vibrational spectra of water clusters calculated with MB-pol are in excellent agreement with reference data obtained at the coupled cluster level. Several structural, thermodynamic, and dynamical properties of the liquid phase at atmospheric pressure are investigated through classical molecular dynamics simulations as a function of temperature. The structural properties of the liquid phase are in nearly quantitative agreement with X-ray diffraction data available over the temperature range from 268 to 368 K. The analysis of other thermodynamic and dynamical quantities emphasizes the importance of explicitly including nuclear quantum effects in the simulations, especially at low temperature, for a physically correct description of the properties of liquid water. Furthermore, both densities and lattice energies of several ice phases are also correctly reproduced by MB-pol. Following a recent study of DFT models for water, a score is assigned to each computed property, which demonstrates the high and, in many respects, unprecedented accuracy of MB-pol in representing all three phases of water.

Destruction processes of mining on water environment in the mining area combining isotopic and hydrochemical tracer.

PubMed

Yang, Yonggang; Guo, Tingting; Jiao, Wentao

2018-06-01

There is less research on the hydrological system and its destruction processes mechanism in the mining areas, especially combined application of isotope technology and chemical signals, which is a key scientific problem that need to be solved. This study takes Jinci spring area in Shanxi as a case study. It is based on the data of hydrology and mining condition from 1954 to 2015, combining monitoring experiments, O 18 , D, S 34 and N 15 tracing, chemical and model simulation. This study investigates the hydrological regularity and impacts of mining activities on water quantity and quality, and reveals the destruction process of hydrological system. The results show that: (1) Water chemical type shows an evolutionary trend of HCO 3 - -Ca 2+ -Mg 2+ →SO 4 2- -HCO 3 - -Ca 2+ -Mg 2+ →SO 4 2- -Ca 2+ -Mg 2+ , due to the influence of exploitation and fault zones. Isotope tracer shows that mine pit water is formed by a mixture of pore water, karst water and surface water. (2) Although precipitation and seepage have a certain impact on the reducing of groundwater quantity, over-exploitation of water resource is still the main reason for reducing of groundwater quantity. Under the conditions of keeping the exploitation intensity at the current level or reducing it by 10%, groundwater level shows a declining trend. Under the condition of reducing it by 30%, groundwater level starts to rise up. When reducing by 50%, groundwater level reaches its highest point. Coalmining changes the runoff, recharge and discharge paths. (3) From 1985 to 2015, Water quality in the mining area is worsening. Ca 2+ increases by 35.30%, SO 4 2- increases by 52.80%, and TDS (Total Dissolved Solid) increases by 67.50%. Nitrates come from the industrial and domestic wastewater, which is generated by mining. The percentage of groundwater coming from gypsum dissolusion is 67.51%, and the percentage from coal measure strata water is 34.49%. The water qualities of river branches are generally deteriorated. Copyright © 2018 Elsevier Ltd. All rights reserved.

Simulations of flow in the Edwards-Trinity aquifer system and contiguous hydraulically connected units, west-central Texas

USGS Publications Warehouse

Kuniansky, E.L.; Holligan, K.Q.

1994-01-01

The transmissivity values used in the simulations were within estimated ranges and generally are: 1,000 to 10,000 ft2/d (feet squared per day) for the Edwards-Trinity and Trinity aquifers; 100,000 to greater than 1 million ft2/d for the Edwards aquifer; and less than 500 to 10,000 ft2/d in contiguous hydraulically connected units. Simulated flow through the Edwards-Trinity aquifer system and contiguous hydraulically connected units is about 3 million acre-feet per year. Estimates of areally distributed recharge from the simulations range from 0.1 to 1 inch per year for the Edwards-Trinity aquifer and increase to 4 inches per year for the Trinity aquifer. Recharge to the Edwards aquifer occurs along streambeds that cross outcropped high-permeability rocks of the Edwards Group through joints and faults. Many of the streams are diverted completely underground during periods of no precipitation. The movement of a substantial quantity of water (about 400 cubic feet per second) from the Trinity and Edwards-Trinity aquifers into the Edwards aquifer was simulated. Results of the simulations indicate that anisotropy strongly influences flow in the Edwards aquifer. In the San Antonio and Austin areas, the Edwards aquifer is the most active part of the ground-water flow system with one-third of ground-water discharge occurring in 5 percent of the modeled area for both simulations.

Modeling the Effects of Groundwater-fed Irrigation on Terrestrial Hydrology over the Conterminous United States

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

Leng, Guoyong; Huang, Maoyi; Tang, Qiuhong

2014-06-01

Human alteration of the land surface hydrologic cycle is substantial. Recent studies suggest that local water management practices including groundwater pumping and irrigation could significantly alter the quantity and distribution of water in the terrestrial system, with potential impacts on weather and climate through land-atmosphere feedbacks. In this study, we incorporated a groundwater withdrawal scheme into the Community Land Model version 4 (CLM4). To simulate the impact of irrigation realistically, we calibrated the CLM4 simulated irrigation amount against observations from agriculture census at the county scale over the conterminous United States (CONUS). The water used for irrigation was then removedmore » from the surface runoff and groundwater aquifer according to a ratio determined from the county-level agricultural census data. Based on the simulations, the impact of groundwater withdrawals for irrigation on land surface and subsurface fluxes were investigated. Our results suggest that the impacts of irrigation on latent heat flux and potential recharge when water is withdrawn from surface water alone or from both surface and groundwater are comparable and local to the irrigation areas. However, when water is withdrawn from groundwater for irrigation, greater effects on the subsurface water balance were found, leading to significant depletion of groundwater storage in regions with low recharge rate and high groundwater exploitation rate. Our results underscore the importance of local hydrologic feedbacks in governing hydrologic response to anthropogenic change in CLM4 and the need to more realistically simulate the two-way interactions among surface water, groundwater, and atmosphere to better understand the impacts of groundwater pumping on irrigation efficiency and climate.« less

A Water Balance Approach to Characterizing the Hydroclimatology of a Mountainous Semi-arid Catchment

NASA Astrophysics Data System (ADS)

Chauvin, G.; Flerchinger, G.; Marks, D.; Link, T.

2004-12-01

A long-term water balance is needed to understand the hydrology of mountainous semi-arid catchments, which exhibit considerable interannual variability in precipitation and temperature as well as spatial variation in snow accumulation, soils, and vegetation. Long-term data sets reduce the uncertainty associated with estimating water balance quantities that are difficult to measure in practice. In this study, the data required to compute a long-term water balance are assembled from on-site and nearby locations to create a continuous 21-year hourly record of precipitation, meteorological parameters, and streamflow for the Upper Sheep Creek (USC) catchment, a 26 ha, snow-fed, semi-arid rangeland headwater drainage within the Reynolds Creek Experimental Watershed in southwestern Idaho, USA. This study will allow us to extend a previous 10-year water balance (water years 1985-1994) computed for the USC catchment, enabling a more thorough consideration of climate variability including periods of drought and flood. It also sets the stage for analyzing the hydrologic response of the USC catchment to a prescribed fire planned for 2006. Statistical correlations between on-site and nearby meteorological stations were used to develop a complete 21-year hourly data set (water years 1984-2004) of climate and precipitation records. These data will be used to drive the Simultaneous Heat and Water (SHAW) model to simulate evaporation and transpiration, precipitation, storage, and stream discharge. Water balance quantities will be computed for separate landscape units and then aggregated for the overall watershed. This research will improve our ability to manage water resources in semi-arid mountain regions.

An Integrated Hydrologic Model and Remote Sensing Synthesis Approach to Study Groundwater Extraction During a Historic Drought in the California Central Valley

NASA Astrophysics Data System (ADS)

Thatch, L. M.; Maxwell, R. M.; Gilbert, J. M.

2017-12-01

Over the past century, groundwater levels in California's San Joaquin Valley have dropped more than 30 meters in some areas due to excessive groundwater extraction to irrigate agricultural lands and feed a growing population. Between 2012 and 2016 California experienced the worst drought in its recorded history, further exacerbating this groundwater depletion. Due to lack of groundwater regulation, exact quantities of extracted groundwater in California are unknown and hard to quantify. We use a synthesis of integrated hydrologic model simulations and remote sensing products to quantify the impact of drought and groundwater pumping on the Central Valley water tables. The Parflow-CLM model was used to evaluate groundwater depletion in the San Joaquin River basin under multiple groundwater extraction scenarios simulated from pre-drought through recent drought years. Extraction scenarios included pre-development conditions, with no groundwater pumping; historical conditions based on decreasing groundwater level measurements; and estimated groundwater extraction rates calculated from the deficit between the predicted crop water demand, based on county land use surveys, and available surface water supplies. Results were compared to NASA's Gravity Recover and Climate Experiment (GRACE) data products to constrain water table decline from groundwater extraction during severe drought. This approach untangles various factors leading to groundwater depletion within the San Joaquin Valley both during drought and years of normal recharge to help evaluate which areas are most susceptible to groundwater overdraft, as well as further evaluating the spatially and temporally variable sustainable yield. Recent efforts to improve water management and ensure reliable water supplies are highlighted by California's Sustainable Groundwater Management Act (SGMA) which mandates Groundwater Sustainability Agencies to determine the maximum quantity of groundwater that can be withdrawn through the course of a year without undesirable effects. We provide a path forward for how this concept may inform sustainable groundwater use under climate variations and land use changes.

Testing and Results of Human Metabolic Simulation Utilizing Ultrasonic Nebulizer Technology for Water Vapor Generation

NASA Technical Reports Server (NTRS)

Stubbe, Matthew; Curley, Su

2010-01-01

Life support technology must be evaluated thoroughly before ever being implemented into a functioning design. A major concern during that evaluation is safety. The ability to mimic human metabolic loads allows test engineers to evaluate the effectiveness of new technologies without risking injury to any actual humans. The main function of most life support technologies is the removal of carbon dioxide (CO2) and water (H2O) vapor. As such any good human metabolic simulator (HMS) will mimic the human body s ability to produce these items. Introducing CO2 into a test chamber is a very straightforward process with few unknowns so the focus of this particular new HMS design was on the much more complicated process of introducing known quantities of H2O vapor on command. Past iterations of the HMS have utilized steam which is very hard to keep in vapor phase while transporting and injecting into a test chamber. Also steam adds large quantities of heat to any test chamber, well beyond what an actual human does. For the new HMS an alternative approach to water vapor generation was designed utilizing ultrasonic nebulizers as a method for creating water vapor. Ultrasonic technology allows water to be vibrated into extremely tiny pieces (2-5 microns) and evaporate without requiring additional heating. Doing this process inside the test chamber itself allows H2O vapor generation without the unwanted heat and the challenging process of transporting water vapor. This paper presents the design details as well as results of all initial and final acceptance system testing. Testing of the system was performed at a range of known human metabolic rates in both sea-level and reduced pressure environments. This multitude of test points fully defines the systems capabilities as they relate to actual environmental systems testing.

Effects on run-off water quantity and quality of urban organic wastes applied in a degraded semi-arid ecosystem.

PubMed

Martínez, F; Casermeiro, M A; Morales, D; Cuevas, G; Walter, Ingrid

2003-04-15

Biosolids and composted municipal solid wastes were surface-applied (0 and 80 Mg ha(-1)) to a degraded soil in a semi-arid environment to determine their effects on the quantity and quality of run-off water. Three and 4 years after application, a simulated rainfall was performed (intensity=942.5 ml min(-1) and kinetic energy=3.92 J m(-2)) on 0.078 m(2) plots using a portable rainfall simulator. The run-off from the different treatment plots was collected and analysed. The type of treatment was highly related to infiltration, run-off and sediment production. The biosolid-treated plots showed the minimum value of total run-off, maximum time to the beginning of run-off and maximum run-off ratio (the relationship between total rainfall and run-off). The MSW-treated plots showed values intermediate between biosolid-treated plots and control plots. Soil losses were also closely related to treatment type. Control plots showed the maximum sediment yield, MSW-treated plots showed intermediate values, and biosolid plots the minimum values for washout. The concentrations of NH(4)-N and PO(4)-P in the run-off water were significantly higher in the treated plots than in control plots. The highest PO(4)-P value, 0.73 mg l(-1), was obtained in the soil treated with biosolids; NO(3)-N concentration also increased significantly with respect to the control and MSW treatments. NH(4)-N concentrations of 15.6 and 15.0 mg l(-1) were recorded in the soils treated with biosolids and MSW, respectively, values approximately five times higher than those obtained in run-off water from untreated soil. However, the concentrations of all these constituents were lower than threshold limits cited in water quality standards for agricultural use. With the exception of Cu, all trace metals analysed in the run-off water were below detection limits.

Comparative Assessment of Physical and Social Determinants of Water Quantity and Water Quality Concerns

NASA Astrophysics Data System (ADS)

Gunda, T.; Hornberger, G. M.

2017-12-01

Concerns over water resources have evolved over time, from physical availability to economic access and recently, to a more comprehensive study of "water security," which is inherently interdisciplinary because a secure water system is influenced by and affects both physical and social components. The concept of water security carries connotations of both an adequate supply of water as well as water that meets certain quality standards. Although the term "water security" has many interpretations in the literature, the research field has not yet developed a synthetic analysis of water security as both a quantity (availability) and quality (contamination) issue. Using qualitative comparative and multi-regression analyses, we evaluate the primary physical and social factors influencing U.S. states' water security from a quantity perspective and from a quality perspective. Water system characteristics are collated from academic and government sources and include access/use, governance, and sociodemographic, and ecosystem metrics. Our analysis indicates differences in variables driving availability and contamination concerns; for example, climate is a more significant determinant in water quantity-based security analyses than in water quality-based security analyses. We will also discuss coevolution of system traits and the merits of constructing a robust water security index based on the relative importance of metrics from our analyses. These insights will improve understanding of the complex interactions between quantity and quality aspects and thus, overall security of water systems.

Preliminary evaluation of the hydrogeologic system in Owens Valley, California

USGS Publications Warehouse

Danskin, W.R.

1988-01-01

A preliminary, two-layer, steady-state, groundwater flow model was used to evaluate present data and hydrologic concepts of Owens Valley, California. Simulations of the groundwater system indicate that areas where water levels are most affected by changes in recharge and discharge are near toes of alluvial fans and along the edge of permeable volcanic deposits. Sensitivity analysis for each model parameter shows that steady state simulations are most sensitive to uncertainties in evapotranspiration rates. Tungsten Hills, Poverty Hills, and Alabama Hills were found to act as virtually impermeable barriers to groundwater flow. Accurate simulation of the groundwater system between Bishop and Lone Pine appears to be possible without simulating the groundwater system in Round Valley, near Owens Lake, or in aquifer materials more than 1,000 ft below land surface. Although vast amounts of geologic and hydrologic data have been collected for Owens Valley, many parts of the hydrogeologic system have not been defined with sufficient detail to answer present water management questions. Location and extent of geologic materials that impede the vertical movement of water are poorly documented. The likely range of aquifer characteristics, except vertical hydraulic conductivity, is well known, but spatial distribution of these characteristics is not well documented. A set of consistent water budgets is needed, including one for surface water, groundwater, and the entire valley. The largest component of previous water budgets (evapotranspiration) is largely unverified. More definitive estimates of local gains and losses for Owens River are needed. Although groundwater pumpage from each well is measured, the quantity of withdrawal from different zones of permeable material has not been defined. (USGS)

High-Performance Integrated Control of water quality and quantity in urban water reservoirs

NASA Astrophysics Data System (ADS)

Galelli, S.; Castelletti, A.; Goedbloed, A.

2015-11-01

This paper contributes a novel High-Performance Integrated Control framework to support the real-time operation of urban water supply storages affected by water quality problems. We use a 3-D, high-fidelity simulation model to predict the main water quality dynamics and inform a real-time controller based on Model Predictive Control. The integration of the simulation model into the control scheme is performed by a model reduction process that identifies a low-order, dynamic emulator running 4 orders of magnitude faster. The model reduction, which relies on a semiautomatic procedural approach integrating time series clustering and variable selection algorithms, generates a compact and physically meaningful emulator that can be coupled with the controller. The framework is used to design the hourly operation of Marina Reservoir, a 3.2 Mm3 storm-water-fed reservoir located in the center of Singapore, operated for drinking water supply and flood control. Because of its recent formation from a former estuary, the reservoir suffers from high salinity levels, whose behavior is modeled with Delft3D-FLOW. Results show that our control framework reduces the minimum salinity levels by nearly 40% and cuts the average annual deficit of drinking water supply by about 2 times the active storage of the reservoir (about 4% of the total annual demand).

Temperature scaling method for Markov chains.

PubMed

Crosby, Lonnie D; Windus, Theresa L

2009-01-22

The use of ab initio potentials in Monte Carlo simulations aimed at investigating the nucleation kinetics of water clusters is complicated by the computational expense of the potential energy determinations. Furthermore, the common desire to investigate the temperature dependence of kinetic properties leads to an urgent need to reduce the expense of performing simulations at many different temperatures. A method is detailed that allows a Markov chain (obtained via Monte Carlo) at one temperature to be scaled to other temperatures of interest without the need to perform additional large simulations. This Markov chain temperature-scaling (TeS) can be generally applied to simulations geared for numerous applications. This paper shows the quality of results which can be obtained by TeS and the possible quantities which may be extracted from scaled Markov chains. Results are obtained for a 1-D analytical potential for which the exact solutions are known. Also, this method is applied to water clusters consisting of between 2 and 5 monomers, using Dynamical Nucleation Theory to determine the evaporation rate constant for monomer loss. Although ab initio potentials are not utilized in this paper, the benefit of this method is made apparent by using the Dang-Chang polarizable classical potential for water to obtain statistical properties at various temperatures.

An ARM data-oriented diagnostics package to evaluate the climate model simulation

NASA Astrophysics Data System (ADS)

Zhang, C.; Xie, S.

2016-12-01

A set of diagnostics that utilize long-term high frequency measurements from the DOE Atmospheric Radiation Measurement (ARM) program is developed for evaluating the regional simulation of clouds, radiation and precipitation in climate models. The diagnostics results are computed and visualized automatically in a python-based package that aims to serve as an easy entry point for evaluating climate simulations using the ARM data, as well as the CMIP5 multi-model simulations. Basic performance metrics are computed to measure the accuracy of mean state and variability of simulated regional climate. The evaluated physical quantities include vertical profiles of clouds, temperature, relative humidity, cloud liquid water path, total column water vapor, precipitation, sensible and latent heat fluxes, radiative fluxes, aerosol and cloud microphysical properties. Process-oriented diagnostics focusing on individual cloud and precipitation-related phenomena are developed for the evaluation and development of specific model physical parameterizations. Application of the ARM diagnostics package will be presented in the AGU session. This work is performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344, IM release number is: LLNL-ABS-698645.

Experimental analysis of the impact of sluice regulation on water quality in the highly polluted Huai River Basin, China.

PubMed

Zuo, Qiting; Chen, Hao; Dou, Ming; Zhang, Yongyong; Li, Dongfeng

2015-07-01

Impact assessment of sluice regulation on water quality is one of the crucial tasks in the present river management. However, research difficulties remain because of insufficient in situ data and numerous influencing factors in aquatic environments. The Huaidian Sluice, the main control sluice of the Shaying River, China, was selected for this study. Three field experimental programs were designed and carried out to analyze spatial and temporal variations in water quality parameters under various sluice regulation conditions and to explore the impacts of regulation mechanisms on water quality. Monitoring data were used to simulate water quality under different scenarios by the water quality analysis simulation program (WASP). Results demonstrate that the influences of sluice regulation on permanganate index (CODMn) and ammonia nitrogen (NH4-N) concentrations (indicators of water quality) were complex and nonlinear and presented different trends of increase or decrease from different regulation modes. Gate openings of different widths and different flow rates affected CODMn and NH4-N concentrations differently. Monitoring results and numerical simulation results indicate that the sluice opening should be small. Flow discharge through the sluice should be greater than 10 m(3) s and less than 60 m(3) s to maintain low CODMn concentrations, and discharge should be low (e.g., 14 m(3) s) to maintain low NH4-N concentrations. This research provides an experimental basis for further research on the construction of water quality models and for the development of reasonable regulations on water quality and quantity.

On the accuracy of the MB-pol many-body potential for water: Interaction energies, vibrational frequencies, and classical thermodynamic and dynamical properties from clusters to liquid water and ice [How good is the MB-pol many-body potential for water?

DOE PAGES

Reddy, Sandeep K.; Straight, Shelby C.; Bajaj, Pushp; ...

2016-11-17

The MB-pol many-body potential has recently emerged as an accurate molecular model for water simulations from the gas to the condensed phase. Here, the accuracy of MB-pol is systematically assessed across the three phases of water through extensive comparisons with experimental data and high-level ab initio calculations. Individual many-body contributions to the interaction energies as well as vibrational spectra of water clusters calculated with MB-pol are in excellent agreement with reference data obtained at the coupled cluster level. We investigate several structural, thermodynamic, and dynamical properties of the liquid phase at atmospheric pressure through classical molecular dynamics simulations as amore » function of temperature. Furthermore, the structural properties of the liquid phase are in nearly quantitative agreement with X-ray diffraction data available over the temperature range from 268 to 368 K. The analysis of other thermodynamic and dynamical quantities emphasizes the importance of explicitly including nuclear quantum effects in the simulations, especially at low temperature, for a physically correct description of the properties of liquid water. Furthermore, both densities and lattice energies of several ice phases are also correctly reproduced by MB-pol. Following a recent study of DFT models for water, a score is assigned to each computed property, which demonstrates the high and, in many respects, unprecedented accuracy of MB-pol in representing all three phases of water.« less

On the accuracy of the MB-pol many-body potential for water: Interaction energies, vibrational frequencies, and classical thermodynamic and dynamical properties from clusters to liquid water and ice [How good is the MB-pol many-body potential for water?

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

Reddy, Sandeep K.; Straight, Shelby C.; Bajaj, Pushp

The MB-pol many-body potential has recently emerged as an accurate molecular model for water simulations from the gas to the condensed phase. Here, the accuracy of MB-pol is systematically assessed across the three phases of water through extensive comparisons with experimental data and high-level ab initio calculations. Individual many-body contributions to the interaction energies as well as vibrational spectra of water clusters calculated with MB-pol are in excellent agreement with reference data obtained at the coupled cluster level. We investigate several structural, thermodynamic, and dynamical properties of the liquid phase at atmospheric pressure through classical molecular dynamics simulations as amore » function of temperature. Furthermore, the structural properties of the liquid phase are in nearly quantitative agreement with X-ray diffraction data available over the temperature range from 268 to 368 K. The analysis of other thermodynamic and dynamical quantities emphasizes the importance of explicitly including nuclear quantum effects in the simulations, especially at low temperature, for a physically correct description of the properties of liquid water. Furthermore, both densities and lattice energies of several ice phases are also correctly reproduced by MB-pol. Following a recent study of DFT models for water, a score is assigned to each computed property, which demonstrates the high and, in many respects, unprecedented accuracy of MB-pol in representing all three phases of water.« less

Water's hydrogen bonds in the hydrophobic effect: a simple model.

PubMed

Xu, Huafeng; Dill, Ken A

2005-12-15

We propose a simple analytical model to account for water's hydrogen bonds in the hydrophobic effect. It is based on computing a mean-field partition function for a water molecule in the first solvation shell around a solute molecule. The model treats the orientational restrictions from hydrogen bonding, and utilizes quantities that can be obtained from bulk water simulations. We illustrate the principles in a 2-dimensional Mercedes-Benz-like model. Our model gives good predictions for the heat capacity of hydrophobic solvation, reproduces the solvation energies and entropies at different temperatures with only one fitting parameter, and accounts for the solute size dependence of the hydrophobic effect. Our model supports the view that water's hydrogen bonding propensity determines the temperature dependence of the hydrophobic effect. It explains the puzzling experimental observation that dissolving a nonpolar solute in hot water has positive entropy.

AMDTreat 5.0+ with PHREEQC titration module to compute caustic chemical quantity, effluent quality, and sludge volume

USGS Publications Warehouse

Cravotta, Charles A.; Means, Brent P; Arthur, Willam; McKenzie, Robert M; Parkhurst, David L.

2015-01-01

Alkaline chemicals are commonly added to discharges from coal mines to increase pH and decrease concentrations of acidity and dissolved aluminum, iron, manganese, and associated metals. The annual cost of chemical treatment depends on the type and quantities of chemicals added and sludge produced. The AMDTreat computer program, initially developed in 2003, is widely used to compute such costs on the basis of the user-specified flow rate and water quality data for the untreated AMD. Although AMDTreat can use results of empirical titration of net-acidic or net-alkaline effluent with caustic chemicals to accurately estimate costs for treatment, such empirical data are rarely available. A titration simulation module using the geochemical program PHREEQC has been incorporated with AMDTreat 5.0+ to improve the capability of AMDTreat to estimate: (1) the quantity and cost of caustic chemicals to attain a target pH, (2) the chemical composition of the treated effluent, and (3) the volume of sludge produced by the treatment. The simulated titration results for selected caustic chemicals (NaOH, CaO, Ca(OH)2, Na2CO3, or NH3) without aeration or with pre-aeration can be compared with or used in place of empirical titration data to estimate chemical quantities, treated effluent composition, sludge volume (precipitated metals plus unreacted chemical), and associated treatment costs. This paper describes the development, evaluation, and potential utilization of the PHREEQC titration module with the new AMDTreat 5.0+ computer program available at http://www.amd.osmre.gov/.

Using a Content Management System for Integrated Water Quantity, Quality and Instream Flows Modeling

NASA Astrophysics Data System (ADS)

Burgholzer, R.; Brogan, C. O.; Scott, D.; Keys, T.

2017-12-01

With increased population and water demand, in-stream flows can become depleted by consumptive uses and dilution of permitted discharges may be compromised. Reduced flows downstream of water withdrawals may increase the violation rate of bacterial concentrations from direct deposition by livestock and wildlife. Water storage reservoirs are constructed and operated to insure more stable supplies for consumptive demands and dilution flows, however their use comes at the cost of increased evaporative losses, potential for thermal pollution, interrupted fish migration, and reduced flooding events that are critical to maintain habitat and water quality. Due to this complex interrelationship between water quantity, quality and instream habitat comprehensive multi-disciplinary models must be developed to insure long-term sustainability of water resources and to avoid conflicts between drinking water, food and energy production, and aquatic biota. The Commonwealth of Virginia funded the expansion of the Chesapeake Bay Program Phase 5 model to cover the entire state, and has been using this model to evaluate water supply permit and planning since 2009. This integrated modeling system combines a content management system (Drupal and PHP) for model input data and leverages the modularity of HSPF with the custom segmentation and parameterization routines programmed by modelers working with the Chesapeake Bay Program. The model has been applied to over 30 Virginia Water Permits, instream flows and aquatic habitat models and a Virginias 30 year water supply demand projections. Future versions will leverage the Bay Model auto-calibration routines for adding small-scale water supply and TMDL models, utilize climate change scenarios, and integrate Virginia's reservoir management modules into the Chesapeake Bay watershed model, feeding projected demand and operational changes back up to EPA models to improve the realism of future Bay-wide simulations.

HAWQS (Hydrologic and Water Quality System)

EPA Pesticide Factsheets

A water quantity and quality modeling system to evaluate the impacts of management alternatives, pollution control scenarios, and climate change scenarios on the quantity and quality of water at a national scale.

The Role of Small Impoundments on Flow Alteration Within River Networks

NASA Astrophysics Data System (ADS)

Brogan, C. O.; Keys, T.; Scott, D.; Burgholzer, R.; Kleiner, J.

2017-12-01

Numerous water quality and quantity models have been established to illustrate the ecologic and hydrologic effects of large reservoirs. Smaller, unregulated ponds are often assumed to have a negligible impact on watershed flow regimes even though they overwhelmingly outnumber larger waterbodies. Individually, these small impoundments impart merely a fraction of the flow alteration larger reservoirs do; however, a network of ponds may act cumulatively to alter the flow regime. Many models have attempted to study smaller impoundments but rely on selectively available rating curves or bathymetry surveys. This study created a generalized process to model impoundments of varying size across a 58 square mile watershed exclusively using satellite imagery and publicly available information as inputs. With information drawn from public Army Corps of Engineers databases and LiDAR surveys, it was found that impoundment surface and drainage area served as useful explanatory variables, capable of predicting both pond bathymetry and outlet structure area across the 37 waterbodies modeled within the study area. Working within a flow routing model with inputs from the Chesapeake Bay HSPF model and verified with USGS gauge data, flow simulations were conducted with increasing number of impoundments to quantify how small ponds affect the overall flow regime. As the total impounded volume increased, simulations showed a notable reduction in both low and peak flows. Medium-sized floods increased as the network of ponds and reservoirs stabilized the catchment's streamflow. The results of this study illustrate the importance of including ponded waters into river corridor models to improve downstream management of both water quantity and quality.

Effects of low-impact-development (LID) practices on streamflow, runoff quantity, and runoff quality in the Ipswich River Basin, Massachusetts-A Summary of field and modeling studies

USGS Publications Warehouse

Zimmerman, Marc J.; Waldron, Marcus C.; Barbaro, Jeffrey R.; Sorenson, Jason R.

2010-01-01

Low-impact-development (LID) approaches are intended to create, retain, or restore natural hydrologic and water-quality conditions that may be affected by human alterations. Wide-scale implementation of LID techniques may offer the possibility of improving conditions in river basins, such as the Ipswich River Basin in Massachusetts, that have run dry during the summer because of groundwater withdrawals and drought. From 2005 to 2008, the U.S. Geological Survey, in a cooperative funding agreement with the Massachusetts Department of Conservation and Recreation, monitored small-scale installations of LID enhancements designed to diminish the effects of storm runoff on the quantity and quality of surface water and groundwater. Funding for the studies also was contributed by the U.S. Environmental Protection Agency's Targeted Watersheds Grant Program through a financial assistance agreement with Massachusetts Department of Conservation and Recreation. The monitoring studies examined the effects of * replacing an impervious parking-lot surface with a porous surface on groundwater quality, * installing rain gardens and porous pavement in a neighborhood of 3 acres on the quantity and quality of stormwater runoff, and * installing a 3,000-ft2 (square-foot) green roof on the quantity and quality of rainfall-generated roof runoff. In addition to these small-scale installations, the U.S. Geological Survey's Ipswich River Basin model was used to simulate the basin-wide effects on streamflow of several changes: broad-scale implementation of LID techniques, reduced water-supply withdrawals, and water-conservation measures. Water-supply and conservation scenarios for application in model simulations were developed with the assistance of two technical advisory committees that included representatives of State agencies responsible for water resources, the U.S. Environmental Protection Agency, the U.S. Geological Survey, water suppliers, and non-governmental organizations. From June 2005 to June 2007, groundwater quality was monitored at the Silver Lake town beach parking lot in Wilmington, Massachusetts, prior to and following the replacement of the conventional, impervious-asphalt surface with a porous surface consisting primarily of porous asphalt and porous pavers designed to enhance rainfall infiltration into the groundwater and to minimize runoff to Silver Lake. Concentrations of phosphorus, nitrogen, cadmium, chromium, copper, lead, nickel, zinc, and total petroleum hydrocarbons in groundwater were monitored. Enhancing infiltration of precipitation did not result in discernible increases in concentrations of these potential groundwater contaminants. Concentrations of dissolved oxygen increased slightly in groundwater profiles following the removal of the impervious asphalt parking-lot surface. In Wilmington, Massachusetts, in a 3-acre neighborhood, stormwater runoff volume and quality were monitored to determine the ability of selected LID enhancements (rain gardens and porous paving stones) to reduce flows and loads of the selected constituents to Silver Lake. Water-quality samples were analyzed for nutrients, metals, total petroleum hydrocarbons, and total-coliform and E. coli bacteria. A decrease in runoff quantity was observed for storms of 0.25 inch or less of precipitation. Water-quality-monitoring results were inconclusive; there were no statistically significant differences in concentrations or loads when the pre- and post-installation-period samples were compared. In a third field study, the characteristics of runoff from a vegetated 'green' roof and a conventional, rubber-membrane roof were compared. The two primary factors affecting the green roof's water-storage capacity were the amount of precipitation and antecedent dry period. Although concentrations of many of the chemicals in roof runoff were higher from the green roof than from the conventional roof, the ability of the green roof to retain w

KSC-2014-4227

NASA Image and Video Library

2014-09-25

CAPE CANAVERAL, Fla. -- At NASA's Kennedy Space Center in Florida, a three-person helicopter crew recently practiced using a Bambi Bucket to pick up water from a nearby waterway and dropping it on simulated targets at the center’s Shuttle Landing Facility. Firefighters respond to wildfires with teams on the ground and in the air. The most up-to-date tools include helicopters that use Bambi Buckets large quantities of water. NASA Flight Operations teams are training to perfect the skills needed to ensure they are ready to use tools, such as the Bambi Bucket, in the event of an out-of-control blaze at the spaceport. Photo credit: NASA/Frankie Martin

KSC-2014-4233

NASA Image and Video Library

2014-09-25

CAPE CANAVERAL, Fla. -- At NASA's Kennedy Space Center in Florida, a three-person helicopter crew recently practiced using a Bambi Bucket to pick up water from a nearby waterway and dropping it on simulated targets at the center’s Shuttle Landing Facility. Firefighters respond to wildfires with teams on the ground and in the air. The most up-to-date tools include helicopters that use Bambi Buckets large quantities of water. NASA Flight Operations teams are training to perfect the skills needed to ensure they are ready to use tools, such as the Bambi Bucket, in the event of an out-of-control blaze at the spaceport. Photo credit: NASA/Frankie Martin

KSC-2014-4232

NASA Image and Video Library

2014-09-25

CAPE CANAVERAL, Fla. -- At NASA's Kennedy Space Center in Florida, a three-person helicopter crew recently practiced using a Bambi Bucket to pick up water from a nearby waterway and dropping it on simulated targets at the center’s Shuttle Landing Facility. Firefighters respond to wildfires with teams on the ground and in the air. The most up-to-date tools include helicopters that use Bambi Buckets large quantities of water. NASA Flight Operations teams are training to perfect the skills needed to ensure they are ready to use tools, such as the Bambi Bucket, in the event of an out-of-control blaze at the spaceport. Photo credit: NASA/Frankie Martin

KSC-2014-4231

NASA Image and Video Library

2014-09-25

CAPE CANAVERAL, Fla. -- At NASA's Kennedy Space Center in Florida, a three-person helicopter crew recently practiced using a Bambi Bucket to pick up water from a nearby waterway and dropping it on simulated targets at the center’s Shuttle Landing Facility. Firefighters respond to wildfires with teams on the ground and in the air. The most up-to-date tools include helicopters that use Bambi Buckets large quantities of water. NASA Flight Operations teams are training to perfect the skills needed to ensure they are ready to use tools, such as the Bambi Bucket, in the event of an out-of-control blaze at the spaceport. Photo credit: NASA/Frankie Martin

KSC-2014-4221

NASA Image and Video Library

2014-09-25

CAPE CANAVERAL, Fla. -- At NASA's Kennedy Space Center in Florida, helicopter pilots walk to their helicopter prior to practicing use of a Bambi Bucket to pick up water from a nearby waterway and dropping it on simulated targets at the center’s Shuttle Landing Facility. Firefighters respond to wildfires with teams on the ground and in the air. The most up-to-date tools include helicopters that use Bambi Buckets large quantities of water. NASA Flight Operations teams are training to perfect the skills needed to ensure they are ready to use tools, such as the Bambi Bucket, in the event of an out-of-control blaze at the spaceport. Photo credit: NASA/Frankie Martin

KSC-2014-4229

NASA Image and Video Library

2014-09-25

CAPE CANAVERAL, Fla. -- At NASA's Kennedy Space Center in Florida, a three-person helicopter crew recently practiced using a Bambi Bucket to pick up water from a nearby waterway and dropping it on simulated targets at the center’s Shuttle Landing Facility. Firefighters respond to wildfires with teams on the ground and in the air. The most up-to-date tools include helicopters that use Bambi Buckets large quantities of water. NASA Flight Operations teams are training to perfect the skills needed to ensure they are ready to use tools, such as the Bambi Bucket, in the event of an out-of-control blaze at the spaceport. Photo credit: NASA/Frankie Martin

KSC-2014-4223

NASA Image and Video Library

2014-09-25

CAPE CANAVERAL, Fla. -- At NASA's Kennedy Space Center in Florida, a three-person helicopter crew recently practiced using a Bambi Bucket to pick up water from a nearby waterway and dropping it on simulated targets at the center’s Shuttle Landing Facility. Firefighters respond to wildfires with teams on the ground and in the air. The most up-to-date tools include helicopters that use Bambi Buckets large quantities of water. NASA Flight Operations teams are training to perfect the skills needed to ensure they are ready to use tools, such as the Bambi Bucket, in the event of an out-of-control blaze at the spaceport. Photo credit: NASA/Frankie Martin

KSC-2014-4228

NASA Image and Video Library

2014-09-25

CAPE CANAVERAL, Fla. -- At NASA's Kennedy Space Center in Florida, a three-person helicopter crew recently practiced using a Bambi Bucket to pick up water from a nearby waterway and dropping it on simulated targets at the center’s Shuttle Landing Facility. Firefighters respond to wildfires with teams on the ground and in the air. The most up-to-date tools include helicopters that use Bambi Buckets large quantities of water. NASA Flight Operations teams are training to perfect the skills needed to ensure they are ready to use tools, such as the Bambi Bucket, in the event of an out-of-control blaze at the spaceport. Photo credit: NASA/Frankie Martin

KSC-2014-4222

NASA Image and Video Library

2014-09-25

CAPE CANAVERAL, Fla. -- At NASA's Kennedy Space Center in Florida, a three-person helicopter crew recently practiced using a Bambi Bucket to pick up water from a nearby waterway and dropping it on simulated targets at the center’s Shuttle Landing Facility. Firefighters respond to wildfires with teams on the ground and in the air. The most up-to-date tools include helicopters that use Bambi Buckets large quantities of water. NASA Flight Operations teams are training to perfect the skills needed to ensure they are ready to use tools, such as the Bambi Bucket, in the event of an out-of-control blaze at the spaceport. Photo credit: NASA/Frankie Martin

KSC-2014-4234

NASA Image and Video Library

2014-09-25

CAPE CANAVERAL, Fla. -- At NASA's Kennedy Space Center in Florida, a three-person helicopter crew recently practiced using a Bambi Bucket to pick up water from a nearby waterway and dropping it on simulated targets at the center’s Shuttle Landing Facility. Firefighters respond to wildfires with teams on the ground and in the air. The most up-to-date tools include helicopters that use Bambi Buckets large quantities of water. NASA Flight Operations teams are training to perfect the skills needed to ensure they are ready to use tools, such as the Bambi Bucket, in the event of an out-of-control blaze at the spaceport. Photo credit: NASA/Frankie Martin

Review of simulation techniques for Aquifer Thermal Energy Storage (ATES)

NASA Astrophysics Data System (ADS)

Mercer, J. W.; Faust, C. R.; Miller, W. J.; Pearson, F. J., Jr.

1981-03-01

The analysis of aquifer thermal energy storage (ATES) systems rely on the results from mathematical and geochemical models. Therefore, the state-of-the-art models relevant to ATES were reviewed and evaluated. These models describe important processes active in ATES including ground-water flow, heat transport (heat flow), solute transport (movement of contaminants), and geochemical reactions. In general, available models of the saturated ground-water environment are adequate to address most concerns associated with ATES; that is, design, operation, and environmental assessment. In those cases where models are not adequate, development should be preceded by efforts to identify significant physical phenomena and relate model parameters to measurable quantities.

[Response of Algae to Nitrogen and Phosphorus Concentration and Quantity of Pumping Water in Pumped Storage Reservoir].

PubMed

Wan, You-peng; Yin, Kui-hao; Peng, Sheng-hua

2015-06-01

Taking a pumped storage reservoir located in southern China as the research object, the paper established a three-dimensional hydrodynamic and eutrophication model of the reservoir employing EFDC (environmental fluid dynamics code) model, calibrated and verified the model using long-term hydraulic and water quality data. Based on the model results, the effects of nitrogen and phosphorus concentrations on the algae growth were analyzed, and the response of algae to nitrogen and phosphorus concentration and quantity of pumping water was also calculated. The results showed that the nitrogen and phosphorus concentrations had little limit on algae growth rate in the reservoir. In the nutrients reduction scenarios, reducing phosphorus would gain greater algae biomass reduction than reducing nitrogen. When reducing 60 percent of nitrogen, the algae biomass did not decrease, while 12.4 percent of algae biomass reduction could be gained with the same reduction ratio of phosphorus. When the reduction ratio went to 90 percent, the algae biomass decreased by 17.9 percent and 35.1 percent for nitrogen and phosphorus reduction, respectively. In the pumping water quantity regulation scenarios, the algae biomass decreased with the increasing pumping water quantity when the pumping water quantity was greater than 20 percent of the current value; when it was less than 20 percent, the algae biomass increased with the increasing pumping water quantity. The algae biomass decreased by 25.7 percent when the pumping water quantity was doubled, and increased by 38.8 percent when it decreased to 20 percent. The study could play an important role in supporting eutrophication controlling in water source area.

Simulation of the Quantity, Variability, and Timing of Streamflow in the Dennys River Basin, Maine, by Use of a Precipitation-Runoff Watershed Model

USGS Publications Warehouse

Dudley, Robert W.

2008-01-01

The U.S. Geological Survey (USGS), in cooperation with the Maine Department of Marine Resources Bureau of Sea Run Fisheries and Habitat, began a study in 2004 to characterize the quantity, variability, and timing of streamflow in the Dennys River. The study included a synoptic summary of historical streamflow data at a long-term streamflow gage, collecting data from an additional four short-term streamflow gages, and the development and evaluation of a distributed-parameter watershed model for the Dennys River Basin. The watershed model used in this investigation was the USGS Precipitation-Runoff Modeling System (PRMS). The Geographic Information System (GIS) Weasel was used to delineate the Dennys River Basin and subbasins and derive parameters for their physical geographic features. Calibration of the models used in this investigation involved a four-step procedure in which model output was evaluated against four calibration data sets using computed objective functions for solar radiation, potential evapotranspiration, annual and seasonal water budgets, and daily streamflows. The calibration procedure involved thousands of model runs and was carried out using the USGS software application Luca (Let us calibrate). Luca uses the Shuffled Complex Evolution (SCE) global search algorithm to calibrate the model parameters. The SCE method reliably produces satisfactory solutions for large, complex optimization problems. The primary calibration effort went into the Dennys main stem watershed model. Calibrated parameter values obtained for the Dennys main stem model were transferred to the Cathance Stream model, and a similar four-step SCE calibration procedure was performed; this effort was undertaken to determine the potential to transfer modeling information to a nearby basin in the same region. The calibrated Dennys main stem watershed model performed with Nash-Sutcliffe efficiency (NSE) statistic values for the calibration period and evaluation period of 0.79 and 0.76, respectively. The Cathance Stream model had an NSE value of 0.68. The Dennys River Basin models make use of limited streamflow-gaging station data and provide information to characterize subbasin hydrology. The calibrated PRMS watershed models of the Dennys River Basin provide simulated daily streamflow time series from October 1, 1985, through September 30, 2006, for nearly any location within the basin. These models enable natural-resources managers to characterize the timing and quantity of water moving through the basin to support many endeavors including geochemical calculations, water-use assessment, Atlantic salmon population dynamics and migration modeling, habitat modeling and assessment, and other resource-management scenario evaluations. Characterizing streamflow contributions from subbasins in the basin and the relative amounts of surface- and ground-water contributions to streamflow throughout the basin will lead to a better understanding of water quantity and quality in the basin. Improved water-resources information will support Atlantic salmon protection efforts.

Water Source Pollution and Disease Diagnosis in a Nigerian Rural Community.

ERIC Educational Resources Information Center

Sangodoyin, A. Y.

1991-01-01

Samples from five water sources (spring, borehole, pond, stream, and well) in rural Nigerian communities were tested. Results include source reliabilities in terms of water quality and quantity, pollution effects upon water quality, epidemiological effects related to water quantity and waste disposal, and impact of water quality improvement upon…

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.

A computer simulation study of the temperature dependence of the hydrophobic hydration

NASA Astrophysics Data System (ADS)

Guillot, B.; Guissani, Y.

1993-11-01

The test particle method is used to evaluate by molecular dynamics calculations the solubility of rare gases and of methane in water between the freezing point and the critical point. A quantitative agreement is obtained between solubility data and simulation results when the simulated water is modeled by the extended simple point charge model (SPCE). From a thermodynamical point of view, it is shown that the hierarchy of rare gases solubilities in water is governed by the solute-water interaction energy while an entropic term of cavity formation is found to be responsible for the peculiar temperature dependence of the solubility along the coexistence curve, and more precisely, of the solubility minimum exhibited by all the investigated solutes. Near the water critical point, the asymptotic behaviors of the Henry's constant and of the vapor-liquid partition coefficient, respectively, as deduced from the simulation data follow with a good accuracy the critical laws recently proposed in the literature for these quantities. Moreover, the calculated partial molar volume of the solute shows a steep increase above 473 K and becomes proportional to the isothermal compressibility of the pure solvent in the vicinity of the critical point as it is observed experimentally. From a microscopic point of view, the evaluation of the solute-solvent pair distribution functions permits to establish a relationship between the increase of the solubility with the decrease of the temperature in cold water on the one hand, and the formation of cages of the clathrate-type around the solute on the other hand. Nevertheless, as soon as the boiling point of water is reached the computer simulation shows that the water molecules of the first hydration shell are no longer oriented tangentially to the solute and tend to reorientate towards the bulk. At higher temperatures a deficit of water molecules progressively appears around the solute, a deficit which is directly associated with an increase of the partial molar volume. Although this phenomenon could be related to what is observed in supercritical mixtures it is emphasized that no long range critical fluctuation is present in the simulated sample.

Near-Surface Meteorology During the Arctic Summer Cloud Ocean Study (ASCOS): Evaluation of Reanalyses and Global Climate Models.

NASA Technical Reports Server (NTRS)

De Boer, G.; Shupe, M.D.; Caldwell, P.M.; Bauer, Susanne E.; Persson, O.; Boyle, J.S.; Kelley, M.; Klein, S.A.; Tjernstrom, M.

2014-01-01

Atmospheric measurements from the Arctic Summer Cloud Ocean Study (ASCOS) are used to evaluate the performance of three atmospheric reanalyses (European Centre for Medium Range Weather Forecasting (ECMWF)- Interim reanalysis, National Center for Environmental Prediction (NCEP)-National Center for Atmospheric Research (NCAR) reanalysis, and NCEP-DOE (Department of Energy) reanalysis) and two global climate models (CAM5 (Community Atmosphere Model 5) and NASA GISS (Goddard Institute for Space Studies) ModelE2) in simulation of the high Arctic environment. Quantities analyzed include near surface meteorological variables such as temperature, pressure, humidity and winds, surface-based estimates of cloud and precipitation properties, the surface energy budget, and lower atmospheric temperature structure. In general, the models perform well in simulating large-scale dynamical quantities such as pressure and winds. Near-surface temperature and lower atmospheric stability, along with surface energy budget terms, are not as well represented due largely to errors in simulation of cloud occurrence, phase and altitude. Additionally, a development version of CAM5, which features improved handling of cloud macro physics, has demonstrated to improve simulation of cloud properties and liquid water amount. The ASCOS period additionally provides an excellent example of the benefits gained by evaluating individual budget terms, rather than simply evaluating the net end product, with large compensating errors between individual surface energy budget terms that result in the best net energy budget.

Hydrophobicity within the three-dimensional Mercedes-Benz model: potential of mean force.

PubMed

Dias, Cristiano L; Hynninen, Teemu; Ala-Nissila, Tapio; Foster, Adam S; Karttunen, Mikko

2011-02-14

We use the three-dimensional Mercedes-Benz model for water and Monte Carlo simulations to study the structure and thermodynamics of the hydrophobic interaction. Radial distribution functions are used to classify different cases of the interaction, namely, contact configurations, solvent separated configurations, and desolvation configurations. The temperature dependence of these cases is shown to be in qualitative agreement with atomistic models of water. In particular, while the energy for the formation of contact configurations is favored by entropy, its strengthening with increasing temperature is accounted for by enthalpy. This is consistent with our simulated heat capacity. An important feature of the model is that it can be used to account for well-converged thermodynamics quantities, e.g., the heat capacity of transfer. Microscopic mechanisms for the temperature dependence of the hydrophobic interaction are discussed at the molecular level based on the conceptual simplicity of the model.

Hydrophobicity within the three-dimensional Mercedes-Benz model: Potential of mean force

NASA Astrophysics Data System (ADS)

Dias, Cristiano L.; Hynninen, Teemu; Ala-Nissila, Tapio; Foster, Adam S.; Karttunen, Mikko

2011-02-01

We use the three-dimensional Mercedes-Benz model for water and Monte Carlo simulations to study the structure and thermodynamics of the hydrophobic interaction. Radial distribution functions are used to classify different cases of the interaction, namely, contact configurations, solvent separated configurations, and desolvation configurations. The temperature dependence of these cases is shown to be in qualitative agreement with atomistic models of water. In particular, while the energy for the formation of contact configurations is favored by entropy, its strengthening with increasing temperature is accounted for by enthalpy. This is consistent with our simulated heat capacity. An important feature of the model is that it can be used to account for well-converged thermodynamics quantities, e.g., the heat capacity of transfer. Microscopic mechanisms for the temperature dependence of the hydrophobic interaction are discussed at the molecular level based on the conceptual simplicity of the model.

A continental-scale hydrology and water quality model for Europe: Calibration and uncertainty of a high-resolution large-scale SWAT model

NASA Astrophysics Data System (ADS)

Abbaspour, K. C.; Rouholahnejad, E.; Vaghefi, S.; Srinivasan, R.; Yang, H.; Kløve, B.

2015-05-01

A combination of driving forces are increasing pressure on local, national, and regional water supplies needed for irrigation, energy production, industrial uses, domestic purposes, and the environment. In many parts of Europe groundwater quantity, and in particular quality, have come under sever degradation and water levels have decreased resulting in negative environmental impacts. Rapid improvements in the economy of the eastern European block of countries and uncertainties with regard to freshwater availability create challenges for water managers. At the same time, climate change adds a new level of uncertainty with regard to freshwater supplies. In this research we build and calibrate an integrated hydrological model of Europe using the Soil and Water Assessment Tool (SWAT) program. Different components of water resources are simulated and crop yield and water quality are considered at the Hydrological Response Unit (HRU) level. The water resources are quantified at subbasin level with monthly time intervals. Leaching of nitrate into groundwater is also simulated at a finer spatial level (HRU). The use of large-scale, high-resolution water resources models enables consistent and comprehensive examination of integrated system behavior through physically-based, data-driven simulation. In this article we discuss issues with data availability, calibration of large-scale distributed models, and outline procedures for model calibration and uncertainty analysis. The calibrated model and results provide information support to the European Water Framework Directive and lay the basis for further assessment of the impact of climate change on water availability and quality. The approach and methods developed are general and can be applied to any large region around the world.

Petroleum dynamics in the sea and influence of subsea dispersant injection during Deepwater Horizon.

PubMed

Gros, Jonas; Socolofsky, Scott A; Dissanayake, Anusha L; Jun, Inok; Zhao, Lin; Boufadel, Michel C; Reddy, Christopher M; Arey, J Samuel

2017-09-19

During the Deepwater Horizon disaster, a substantial fraction of the 600,000-900,000 tons of released petroleum liquid and natural gas became entrapped below the sea surface, but the quantity entrapped and the sequestration mechanisms have remained unclear. We modeled the buoyant jet of petroleum liquid droplets, gas bubbles, and entrained seawater, using 279 simulated chemical components, for a representative day (June 8, 2010) of the period after the sunken platform's riser pipe was pared at the wellhead (June 4-July 15). The model predicts that 27% of the released mass of petroleum fluids dissolved into the sea during ascent from the pared wellhead (1,505 m depth) to the sea surface, thereby matching observed volatile organic compound (VOC) emissions to the atmosphere. Based on combined results from model simulation and water column measurements, 24% of released petroleum fluid mass became channeled into a stable deep-water intrusion at 900- to 1,300-m depth, as aqueously dissolved compounds (∼23%) and suspended petroleum liquid microdroplets (∼0.8%). Dispersant injection at the wellhead decreased the median initial diameters of simulated petroleum liquid droplets and gas bubbles by 3.2-fold and 3.4-fold, respectively, which increased dissolution of ascending petroleum fluids by 25%. Faster dissolution increased the simulated flows of water-soluble compounds into biologically sparse deep water by 55%, while decreasing the flows of several harmful compounds into biologically rich surface water. Dispersant injection also decreased the simulated emissions of VOCs to the atmosphere by 28%, including a 2,000-fold decrease in emissions of benzene, which lowered health risks for response workers.

Petroleum dynamics in the sea and influence of subsea dispersant injection during Deepwater Horizon

PubMed Central

Gros, Jonas; Socolofsky, Scott A.; Dissanayake, Anusha L.; Jun, Inok; Zhao, Lin; Boufadel, Michel C.; Reddy, Christopher M.; Arey, J. Samuel

2017-01-01

During the Deepwater Horizon disaster, a substantial fraction of the 600,000–900,000 tons of released petroleum liquid and natural gas became entrapped below the sea surface, but the quantity entrapped and the sequestration mechanisms have remained unclear. We modeled the buoyant jet of petroleum liquid droplets, gas bubbles, and entrained seawater, using 279 simulated chemical components, for a representative day (June 8, 2010) of the period after the sunken platform’s riser pipe was pared at the wellhead (June 4–July 15). The model predicts that 27% of the released mass of petroleum fluids dissolved into the sea during ascent from the pared wellhead (1,505 m depth) to the sea surface, thereby matching observed volatile organic compound (VOC) emissions to the atmosphere. Based on combined results from model simulation and water column measurements, 24% of released petroleum fluid mass became channeled into a stable deep-water intrusion at 900- to 1,300-m depth, as aqueously dissolved compounds (∼23%) and suspended petroleum liquid microdroplets (∼0.8%). Dispersant injection at the wellhead decreased the median initial diameters of simulated petroleum liquid droplets and gas bubbles by 3.2-fold and 3.4-fold, respectively, which increased dissolution of ascending petroleum fluids by 25%. Faster dissolution increased the simulated flows of water-soluble compounds into biologically sparse deep water by 55%, while decreasing the flows of several harmful compounds into biologically rich surface water. Dispersant injection also decreased the simulated emissions of VOCs to the atmosphere by 28%, including a 2,000-fold decrease in emissions of benzene, which lowered health risks for response workers. PMID:28847967

Validation of an In-Water, Tower-Shading Correction Scheme

NASA Technical Reports Server (NTRS)

Hooker, Stanford B. (Editor); Firestone, Elaine R. (Editor); Doyle, John P.; Zibordi, Giuseppe; vanderLinde, Dirk

2003-01-01

Large offshore structures used for the deployment of optical instruments can significantly perturb the intensity of the light field surrounding the optical measurement point, where different portions of the visible spectrum are subject to different shadowing effects. These effects degrade the quality of the acquired optical data and can reduce the accuracy of several derived quantities, such as those obtained by applying bio-optical algorithms directly to the shadow-perturbed data. As a result, optical remote sensing calibration and validation studies can be impaired if shadowing artifacts are not fully accounted for. In this work, the general in-water shadowing problem is examined for a particular case study. Backward Monte Carlo (MC) radiative transfer computations- performed in a vertically stratified, horizontally inhomogeneous, and realistic ocean-atmosphere system are shown to accurately simulate the shadow-induced relative percent errors affecting the radiance and irradiance data profiles acquired close to an oceanographic tower. Multiparameter optical data processing has provided adequate representation of experimental uncertainties allowing consistent comparison with simulations. The more detailed simulations at the subsurface depth appear to be essentially equivalent to those obtained assuming a simplified ocean-atmosphere system, except in highly stratified waters. MC computations performed in the simplified system can be assumed, therefore, to accurately simulate the optical measurements conducted under more complex sampling conditions (i.e., within waters presenting moderate stratification at most). A previously reported correction scheme, based on the simplified MC simulations, and developed for subsurface shadow-removal processing of in-water optical data taken close to the investigated oceanographic tower, is then validated adequately under most experimental conditions. It appears feasible to generalize the present tower-specific approach to solve other optical sensor shadowing problems pertaining to differently shaped deployment platforms, and also including surrounding structures and instrument casings.

Exploiting active subspaces to quantify uncertainty in the numerical simulation of the HyShot II scramjet

NASA Astrophysics Data System (ADS)

Constantine, P. G.; Emory, M.; Larsson, J.; Iaccarino, G.

2015-12-01

We present a computational analysis of the reactive flow in a hypersonic scramjet engine with focus on effects of uncertainties in the operating conditions. We employ a novel methodology based on active subspaces to characterize the effects of the input uncertainty on the scramjet performance. The active subspace identifies one-dimensional structure in the map from simulation inputs to quantity of interest that allows us to reparameterize the operating conditions; instead of seven physical parameters, we can use a single derived active variable. This dimension reduction enables otherwise infeasible uncertainty quantification, considering the simulation cost of roughly 9500 CPU-hours per run. For two values of the fuel injection rate, we use a total of 68 simulations to (i) identify the parameters that contribute the most to the variation in the output quantity of interest, (ii) estimate upper and lower bounds on the quantity of interest, (iii) classify sets of operating conditions as safe or unsafe corresponding to a threshold on the output quantity of interest, and (iv) estimate a cumulative distribution function for the quantity of interest.

Lunar Polar Environmental Testing: Regolith Simulant Conditioning

NASA Technical Reports Server (NTRS)

Kleinhenz, Julie

2014-01-01

As ISRU system development approaches flight fidelity, there is a need to test hardware in relevant environments. Extensive laboratory and field testing have involved relevant soil (lunar regolith simulants), but the current design iterations necessitate relevant pressure and temperature conditions. Including significant quantities of lunar regolith simulant in a thermal vacuum chamber poses unique challenges. These include facility operational challenges (dust tolerant hardware) and difficulty maintaining a pre-prepared soil state during pump down (consolidation state, moisture retention).For ISRU purposes, the regolith at the lunar poles will be of most interest due to the elevated water content. To test at polar conditions, the regolith simulant must be doped with water to an appropriate percentage and then chilled to cryogenic temperatures while exposed to vacuum conditions. A 1m tall, 28cm diameter bin of simulant was developed for testing these simulant preparation and drilling operations. The bin itself was wrapped with liquid nitrogen cooling loops (100K) so that the simulant bed reached an average temperature of 140K at vacuum. Post-test sampling was used to determine desiccation of the bed due to vacuum exposure. Depth dependent moisture data is presented from frozen and thawed soil samples.Following simulant only evacuation tests, drill hardware was incorporated into the vacuum chamber to test auguring techniques in the frozen soil at thermal vacuum conditions. The focus of this testing was to produce cuttings piles for a newly developed spectrometer to evaluate. This instrument, which is part of the RESOLVE program science hardware, detects water signatures from surface regolith. The drill performance, behavior of simulant during drilling, and characteristics of the cuttings piles will be offered.

Water-quantity and water-quality aspects of a 500-year flood - Nishnabotna River, southwest Iowa, June 1998

USGS Publications Warehouse

Kolpin, Dana W.; Fischer, Edward E.; Schnoebelen, Douglas J.

2000-01-01

This sampling demonstrates the importance of collecting both water-quantity and water-quality data during flood events to estimate contaminant loads. Potential environmental effects of a flood can only be understood when both components are measured.

Mitigation of Hydrogen Gas Generation from the Reaction of Uranium Metal with Water in K Basin Sludge and Sludge Waste Forms

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

Sinkov, Sergey I.; Delegard, Calvin H.; Schmidt, Andrew J.

2011-06-08

Prior laboratory testing identified sodium nitrate and nitrite to be the most promising agents to minimize hydrogen generation from uranium metal aqueous corrosion in Hanford Site K Basin sludge. Of the two, nitrate was determined to be better because of higher chemical capacity, lower toxicity, more reliable efficacy, and fewer side reactions than nitrite. The present lab tests were run to determine if nitrate’s beneficial effects to lower H2 generation in simulated and genuine sludge continued for simulated sludge mixed with agents to immobilize water to help meet the Waste Isolation Pilot Plant (WIPP) waste acceptance drainable liquid criterion. Testsmore » were run at ~60°C, 80°C, and 95°C using near spherical high-purity uranium metal beads and simulated sludge to emulate uranium-rich KW containerized sludge currently residing in engineered containers KW-210 and KW-220. Immobilization agents tested were Portland cement (PC), a commercial blend of PC with sepiolite clay (Aquaset II H), granulated sepiolite clay (Aquaset II G), and sepiolite clay powder (Aquaset II). In all cases except tests with Aquaset II G, the simulated sludge was mixed intimately with the immobilization agent before testing commenced. For the granulated Aquaset II G clay was added to the top of the settled sludge/solution mixture according to manufacturer application directions. The gas volumes and compositions, uranium metal corrosion mass losses, and nitrite, ammonia, and hydroxide concentrations in the interstitial solutions were measured. Uranium metal corrosion rates were compared with rates forecast from the known uranium metal anoxic water corrosion rate law. The ratios of the forecast to the observed rates were calculated to find the corrosion rate attenuation factors. Hydrogen quantities also were measured and compared with quantities expected based on non-attenuated H2 generation at the full forecast anoxic corrosion rate to arrive at H2 attenuation factors. The uranium metal corrosion rates in water alone and in simulated sludge were near or slightly below the metal-in-water rate while nitrate-free sludge/Aquaset II decreased rates by about a factor of 3. Addition of 1 M nitrate to simulated sludge decreased the corrosion rate by a factor of ~5 while 1 M nitrate in sludge/Aquaset II mixtures decreased the corrosion rate by ~2.5 compared with the nitrate-free analogues. Mixtures of simulated sludge with Aquaset II treated with 1 M nitrate had uranium corrosion rates about a factor of 8 to 10 lower than the water-only rate law. Nitrate was found to provide substantial hydrogen mitigation for immobilized simulant sludge waste forms containing Aquaset II or Aquaset II G clay. Hydrogen attenuation factors of 1000 or greater were determined at 60°C for sludge-clay mixtures at 1 M nitrate. Hydrogen mitigation for tests with PC and Aquaset II H (which contains PC) were inconclusive because of suspected failure to overcome induction times and fully enter into anoxic corrosion. Lessening of hydrogen attenuation at ~80°C and ~95°C for simulated sludge and Aquaset II was observed with attenuation factors around 100 to 200 at 1 M nitrate. Valuable additional information has been obtained on the ability of nitrate to attenuate hydrogen gas generation from solution, simulant K Basin sludge, and simulant sludge with immobilization agents. Details on characteristics of the associated reactions were also obtained. The present testing confirms prior work which indicates that nitrate is an effective agent to attenuate hydrogen from uranium metal corrosion in water and simulated K Basin sludge to show that it is also effective in potential candidate solidified K Basin waste forms for WIPP disposal. The hydrogen mitigation afforded by nitrate appears to be sufficient to meet the hydrogen generation limits for shipping various sludge waste streams based on uranium metal concentrations and assumed waste form loadings.« less

The economics of water reuse and implications for joint water quality-quantity management

NASA Astrophysics Data System (ADS)

Kuwayama, Y.

2015-12-01

Traditionally, economists have treated the management of water quality and water quantity as separate problems. However, there are some water management issues for which economic analysis requires the simultaneous consideration of water quality and quantity policies and outcomes. Water reuse, which has expanded significantly over the last several decades, is one of these issues. Analyzing the cost effectiveness and social welfare outcomes of adopting water reuse requires a joint water quality-quantity optimization framework because, at its most basic level, water reuse requires decision makers to consider (a) its potential for alleviating water scarcity, (b) the quality to which the water should be treated prior to reuse, and (c) the benefits of discharging less wastewater into the environment. In this project, we develop a theoretical model of water reuse management to illustrate how the availability of water reuse technologies and practices can lead to a departure from established rules in the water resource economics literature for the optimal allocation of freshwater and water pollution abatement. We also conduct an econometric analysis of a unique dataset of county-level water reuse from the state of Florida over the seventeen-year period between 1996 and 2012 in order to determine whether water quality or scarcity concerns drive greater adoption of water reuse practices.

Water quantity and quality at the urban-rural interface

Treesearch

Ge Sun; B. Graeme Lockaby

2012-01-01

Population growth and urban development dramatically alter natural watershed ecosystem structure and functions and stress water resources. We review studies on the impacts of urbanization on hydrologic and biogeochemical processes underlying stream water quantity and water quality issues, as well as water supply challenges in an urban environment. We conclude that...

Evaluation of fog and rain water collected at Delta Barrage, Egypt as a new resource for irrigated agriculture

NASA Astrophysics Data System (ADS)

Salem, Talaat A.; Omar, Mohie El Din M.; El Gammal, H. A. A.

2017-11-01

Alternative clean water resources are needed in Egypt to face the current water shortage and water quality deterioration. Therefore, this research investigates the suitability of harvesting fog and rain water for irrigation using a pilot fog collector for water quantity, water quality, and economic aspects. A pilot fog collector was installed at one location at Delta Barrage, Egypt. Freeze liquid nitrogen was fixed at the back of the fiberglass sheet to increase the condensation rate. The experiment was conducted during the period from November 2015 to February 2016. In general, all physicochemical variables are observed with higher values in the majority of fog than rain water. The fog is assumed to contain higher concentrations of anthropogenic emissions. TDS in both waters collected are less than 700 mg/l at sodium content less than 60%, classifying these waters as good for various plants under most conditions. In addition, SAR calculated values are less than 3.0 in each of fog and rain water, which proves the water suitability for all irrigated agriculture. Al and Fe concentrations were found common in all samples with values less than the permissible limits of the guidelines. These metals originate from soil material, ash and metal surfaces. The sensitive heavy metals (Cd and Pb) were within the permissible limits of the guideline in fog water, indicating this water is suitable for irrigation. On the contrary, rain water that has heavy metals is not permitted in irrigation water as per the Egyptian law. As per WQI, the rain water is classified as good quality while fog is classified as medium quality. Regarding the water quantity, a significant increase in the harvested fog quantity was observed after cooling the collector surface with freeze liquid nitrogen. The current fog collector produced the lowest water quantity among different fog collectors worldwide. However, these comparative results confirmed that quantity is different from one location to another worldwide even in the same country. The cost of the unit water volume of harvested water by the current pilot collector is relatively low among different collectors worldwide. This study proves that fog harvesting in Egypt is feasible using the current pilot collector in terms of water quantity, water quality, and economy. But it recommends collection of fog at various locations and times, since both water quantity and water quality are variable in time and space. It is more or less viable solution to meet the shortage of water in Egypt.

Vapor–Liquid Equilibrium and Polarization Behavior of the GCP Water Model: Gaussian Charge-on-Spring versus Dipole Self-Consistent Field Approaches to Induced Polarization

DOE PAGES

Chialvo, Ariel A.; Moucka, Filip; Vlcek, Lukas; ...

2015-03-24

Here we implemented the Gaussian charge-on-spring (GCOS) version of the original self-consistent field implementation of the Gaussian Charge Polarizable water model and test its accuracy to represent the polarization behavior of the original model involving smeared charges and induced dipole moments. Moreover, for that purpose we adapted the recently developed multiple-particle-move (MPM) within the Gibbs and isochoric-isothermal ensembles Monte Carlo methods for the efficient simulation of polarizable fluids. We also assessed the accuracy of the GCOS representation by a direct comparison of the resulting vapor-liquid phase envelope, microstructure, and relevant microscopic descriptors of water polarization along the orthobaric curve againstmore » the corresponding quantities from the actual GCP water model.« less

Cluster formation and percolation in ethanol-water mixtures

NASA Astrophysics Data System (ADS)

Gereben, Orsolya; Pusztai, László

2017-10-01

Results of systematic molecular dynamics studies of ethanol-water mixtures, over the entire concentration range, were reported previously that agree with experimental X-ray diffraction data. These simulated systems are analyzed in this work to examine cluster formation and percolation, using four different hydrogen bond definitions. Percolation analyses revealed that each mixture (even the one containing 80 mol% ethanol) is above the 3D percolation threshold, with fractal dimensions, df, between 2.6 and 2.9, depending on concentration. Monotype water cluster formation was also studied in the mixtures: 3D water percolation can be found in systems with less than 40 mol% ethanol, with fractal dimensions between 2.53 and 2.84. These observations can be put in parallel with experimental data on some thermodynamic quantities, such as the excess partial molar enthalpy and entropy.

Thermodynamics of water structural reorganization due to geometric confinement

NASA Astrophysics Data System (ADS)

Stroberg, Wylie; Lichter, Seth

2015-03-01

Models of aqueous solvation have successfully quantified the behavior of water near convex bodies. However, many important processes occurring in aqueous solution involve interactions between solutes and surfaces with complicated non-convex geometries. Examples include the folding of proteins, hydrophobic association of solutes, ligand-receptor binding, and water confined within nanotubes and pores. For these geometries, models for solvation of convex bodies fail to account for the added interactions associated with structural confinement. Due to water's propensity to form networks of hydrogen bonds, small alterations to the confining geometry can induce large structural rearrangement within the water. We perform systematic Monte Carlo simulations of water confined to cylindrical cavities of varying aspect ratio to investigate how small geometric changes to the confining geometry may cause large changes to the structure and thermodynamic state of water. Using the Wang-Landau algorithm, we obtain free energies, enthalpies, entropies, and heat capacities across a broad range of temperatures, and show how these quantities are influenced by the structural rearrangement of water molecules due to geometric perturbations.

Engaging Pennsylvania Teachers in Watershed Education

ERIC Educational Resources Information Center

Gruver, Joshua; Luloff, A. E.

2008-01-01

Water-resource scientists have become increasingly concerned about global water quality and quantity issues. Water and watershed education are now mandated topics for school-aged youth. Pennsylvania teachers lack consistent and accessible curricula to teach students about water quality and quantity. A mail survey administered in 2004 determined…

Comparison of conceptually based and regression rainfall-runoff models, Denver Metropolitan area, Colorado, and potential applications in urban areas

USGS Publications Warehouse

Lindner-Lunsford, J. B.; Ellis, S.R.

1987-01-01

Multievent, conceptually based models and a single-event, multiple linear-regression model for estimating storm-runoff quantity and quality from urban areas were calibrated and verified for four small (57 to 167 acres) basins in the Denver metropolitan area, Colorado. The basins represented different land-use types - light commercial, single-family housing, and multi-family housing. Both types of models were calibrated using the same data set for each basin. A comparison was made between the storm-runoff volume, peak flow, and storm-runoff loads of seven water quality constituents simulated by each of the models by use of identical verification data sets. The models studied were the U.S. Geological Survey 's Distributed Routing Rainfall-Runoff Model-Version II (DR3M-II) (a runoff-quantity model designed for urban areas), and a multievent urban runoff quality model (DR3M-QUAL). Water quality constituents modeled were chemical oxygen demand, total suspended solids, total nitrogen, total phosphorus, total lead, total manganese, and total zinc. (USGS)

Monte Carlo calculation of proton stopping power and ranges in water for therapeutic energies

NASA Astrophysics Data System (ADS)

Bozkurt, Ahmet

2017-09-01

Monte Carlo is a statistical technique for obtaining numerical solutions to physical or mathematical problems that are analytically impractical, if not impossible, to solve. For charged particle transport problems, it presents many advantages over deterministic methods since such problems require a realistic description of the problem geometry, as well as detailed tracking of every source particle. Thus, MC can be considered as a powerful alternative to the well-known Bethe-Bloche equation where an equation with various corrections is used to obtain stopping power and ranges of electrons, positrons, protons, alphas, etc. This study presents how a stochastic method such as MC can be utilized to obtain certain quantities of practical importance related to charged particle transport. Sample simulation geometries were formed for water medium where disk shaped thin detectors were employed to compute average values of absorbed dose and flux at specific distances. For each detector cell, these quantities were utilized to evaluate the values of the range and the stopping power, as well as the shape of Bragg curve, for mono-energetic point source pencil beams of protons. The results were found to be ±2% compared to the data from the NIST compilation. It is safe to conclude that this approach can be extended to determine dosimetric quantities for other media, energies and charged particle types.

Water vapour condensation in a partly closed structure. Comparison between results obtained with an inside wet or dry bottom wall

NASA Astrophysics Data System (ADS)

Batina, Jean; Peyrous, René

2018-04-01

We are interested in the determination of the more significant parameters acting on the water vapour condensation in a partly closed structure, submitted to external constraints (temperature and humidity), in view to recover the generated droplets as an additional source of potable water. External temperature variations, by inducing temperature differences between outside and inside of the structure, lead to convective movements and thermal variations inside this structure. Through an orifice, these movements permit a renewing of the humid inner air and can lead to the condensation of the water vapour initially contained in the inner air volume and/or on the walls. With the above hypotheses, and by using a numerical simulation [1] based on the ambient air characteristics and a finite volumes method, it appears that condensed water quantities are mainly depending on the boundary conditions imposed. These conditions are: 1) dimensions of the structure; 2) external temperature and relative hygrometry; 3) the phase φ (T/RH) linking thermal and hydrometric conditions; 4) the air renewing and its hygrometry for each phase; and 5) for each case, the fact that the inside bottom wall can be wet or dry. The resulting condensed water vapour quantities obtained, for the width section, point out clearly that they are very depending on this phase φ (T/RH) which appears as the more significant parameter and can be modified by the presence or not of a thin layer of water vapour on the inside bottom wall. Condensation phenomenon could be increased if φ could be optimized.

Evaluation of bioenergy crop growth and the impacts of bioenergy crops on streamflow, tile drain flow and nutrient losses in an extensively tile-drained watershed using SWAT.

PubMed

Guo, Tian; Cibin, Raj; Chaubey, Indrajeet; Gitau, Margaret; Arnold, Jeffrey G; Srinivasan, Raghavan; Kiniry, James R; Engel, Bernard A

2018-02-01

Large quantities of biofuel production are expected from bioenergy crops at a national scale to meet US biofuel goals. It is important to study biomass production of bioenergy crops and the impacts of these crops on water quantity and quality to identify environment-friendly and productive biofeedstock systems. SWAT2012 with a new tile drainage routine and improved perennial grass and tree growth simulation was used to model long-term annual biomass yields, streamflow, tile flow, sediment load, and nutrient losses under various bioenergy scenarios in an extensively agricultural watershed in the Midwestern US. Simulated results from bioenergy crop scenarios were compared with those from the baseline. The results showed that simulated annual crop yields were similar to observed county level values for corn and soybeans, and were reasonable for Miscanthus, switchgrass and hybrid poplar. Removal of 38% of corn stover (3.74Mg/ha/yr) with Miscanthus production on highly erodible areas and marginal land (17.49Mg/ha/yr) provided the highest biofeedstock production (279,000Mg/yr). Streamflow, tile flow, erosion and nutrient losses were reduced under bioenergy crop scenarios of bioenergy crops on highly erodible areas and marginal land. Corn stover removal did not result in significant water quality changes. The increase in sediment and nutrient losses under corn stover removal could be offset with the combination of other bioenergy crops. Potential areas for bioenergy crop production when meeting the criteria above were small (10.88km 2 ), thus the ability to produce biomass and improve water quality was not substantial. The study showed that corn stover removal with bioenergy crops both on highly erodible areas and marginal land could provide more biofuel production relative to the baseline, and was beneficial to water quality at the watershed scale, providing guidance for further research on evaluation of bioenergy crop scenarios in a typical extensively tile-drained watershed in the Midwestern U.S. Copyright © 2017 Elsevier B.V. All rights reserved.

Kinetic energy definition in velocity Verlet integration for accurate pressure evaluation

NASA Astrophysics Data System (ADS)

Jung, Jaewoon; Kobayashi, Chigusa; Sugita, Yuji

2018-04-01

In molecular dynamics (MD) simulations, a proper definition of kinetic energy is essential for controlling pressure as well as temperature in the isothermal-isobaric condition. The virial theorem provides an equation that connects the average kinetic energy with the product of particle coordinate and force. In this paper, we show that the theorem is satisfied in MD simulations with a larger time step and holonomic constraints of bonds, only when a proper definition of kinetic energy is used. We provide a novel definition of kinetic energy, which is calculated from velocities at the half-time steps (t - Δt/2 and t + Δt/2) in the velocity Verlet integration method. MD simulations of a 1,2-dispalmitoyl-sn-phosphatidylcholine (DPPC) lipid bilayer and a water box using the kinetic energy definition could reproduce the physical properties in the isothermal-isobaric condition properly. We also develop a multiple time step (MTS) integration scheme with the kinetic energy definition. MD simulations with the MTS integration for the DPPC and water box systems provided the same quantities as the velocity Verlet integration method, even when the thermostat and barostat are updated less frequently.

Study of correlations from Ab-Initio Simulations of Liquid Water

NASA Astrophysics Data System (ADS)

Soto, Adrian; Fernandez-Serra, Marivi; Lu, Deyu; Yoo, Shinjae

An accurate understanding of the dynamics and the structure of H2O molecules in the liquid phase is of extreme importance both from a fundamental and from a practical standpoint. Despite the successes of Molecular Dynamics (MD) with Density Functional Theory (DFT), liquid water remains an extremely difficult material to simulate accurately and efficiently because of fine balance between the covalent O-H bond, the hydrogen bond and the attractive the van der Waals forces. Small errors in those produce dramatic changes in the macroscopic properties of the liquid or in its structural properties. Different density functionals produce answers that differ by as much as 35% in ambient conditions, with none producing quantitative results in agreement with experiment at different mass densities. In order to understand these differences we perform an exhaustive scanning of the geometrical coordinates of MD simulations and study their statistical correlations with the simulation output quantities using advanced correlation analyses and machine learning techniques. This work was partially supported by DOE Award No. DE-FG02-09ER16052, by DOE Early Career Award No. DE-SC0003871, by BNL LDRD 16-039 project and BNL Contract No. DE-SC0012704.

Study of correlations from Ab-Initio Simulations of Liquid Water

NASA Astrophysics Data System (ADS)

Soto, Adrian; Fernandez-Serra, Marivi; Lu, Deyu; Yoo, Shinjae

An accurate understanding of the dynamics and the structure of H2O molecules in the liquid phase is of extreme importance both from a fundamental and from a practical standpoint. Despite the successes of Molecular Dynamics (MD) with Density Functional Theory (DFT), liquid water remains an extremely difficult material to simulate accurately and efficiently because of fine balance between the covalent O-H bond, the hydrogen bond and the attractive the van der Waals forces. Small errors in those produce dramatic changes in the macroscopic properties of the liquid or in its structural properties. Different density functionals produce answers that differ by as much as 35% in ambient conditions, with none producing quantitative results in agreement with experiment at different mass densities [J. Chem Phys. 139, 194502(2013)]. In order to understand these differences we perform an exhaustive scanning of the geometrical coordinates of MD simulations and study their statistical correlations with the simulation output quantities using advanced correlation analyses and machine learning techniques. This work was partially supported by DOE Award No. DE-FG02-09ER16052, by DOE Early Career Award No. DE-SC0003871, by BNL LDRD 16-039 project and BNL Contract No. DE-SC0012704.

Kinetic energy definition in velocity Verlet integration for accurate pressure evaluation.

PubMed

Jung, Jaewoon; Kobayashi, Chigusa; Sugita, Yuji

2018-04-28

In molecular dynamics (MD) simulations, a proper definition of kinetic energy is essential for controlling pressure as well as temperature in the isothermal-isobaric condition. The virial theorem provides an equation that connects the average kinetic energy with the product of particle coordinate and force. In this paper, we show that the theorem is satisfied in MD simulations with a larger time step and holonomic constraints of bonds, only when a proper definition of kinetic energy is used. We provide a novel definition of kinetic energy, which is calculated from velocities at the half-time steps (t - Δt/2 and t + Δt/2) in the velocity Verlet integration method. MD simulations of a 1,2-dispalmitoyl-sn-phosphatidylcholine (DPPC) lipid bilayer and a water box using the kinetic energy definition could reproduce the physical properties in the isothermal-isobaric condition properly. We also develop a multiple time step (MTS) integration scheme with the kinetic energy definition. MD simulations with the MTS integration for the DPPC and water box systems provided the same quantities as the velocity Verlet integration method, even when the thermostat and barostat are updated less frequently.

Water and soils

Treesearch

Carl C. Trettin

2004-01-01

In the second chapter, Ge Sun and others discuss the effects of management of southern forests on water quantity and quality. Their thorough review of water quality and quantity research in the South provides valuable insights. This research has shown that the greatest changes in streamwater yield or ground-water table occur immediately following forest land...

Behavior of Agricultural water users induced hydro-climatic cycle change in Heihe River Basin, in the northwest of china

NASA Astrophysics Data System (ADS)

Wu, F.; Deng, X.; Cai, X.; Zhang, X.; Zhang, Q.

2017-12-01

Water allocation unbalance is the most important driving force of ecological degradation in the Heihe River Basin, where it seems the lifeblood of environment and human society. Water commute complex and frequent in soil, atmosphere, surface and ground face. The balance analysis of Water's transformation based on the WRF (Weather Research Forecasting) and SWAT (Soil and Water Assessment Tool) simulations, puts forward the application of land governance in arid and semi-arid region. In this study, we designed an irrigation scheme using local field experiences and incorporated the irrigation scheme into WRF/Noah-MP model. Then, to test the effects of irrigation scheme on performance of WRF/Noah-MP model, we carried out two simulations with the Heihe watershed, Northwest China, as a case study area. Firstly, the irrigation simulation is meanly about 860 mm across all of 671 cropland grid cells within the Heihe watershed and gradually increases from about 500 mm nearby the foot of Qilian Mountain to the maximum about 1500 mm in the middle and lower reach of Heihe River. Both of regional mean value and spatial heterogeneity are close to ground measurements. Secondly, the irrigation simulation dramatically reduced the mean bias of specified humidity to -0.47 g kg-1 (accounting for 6.0% of observation) and RMSE of temperature to 0.47 °C, respectively, since the irrigation enhanced the surface latent heat and weakened sensible heat to atmosphere. Thirdly, Across the 8 agricultural sites, the correlation coefficient and RMSE increased from 0.75 to 0.80. Finally, we found the surface runoff will increase by 0.46% with SWAT model at irrigation months. Therefore, the irrigation may led to expansion of cultivated land through transformation from groundwater to surface water at some degree. Water authorities should strengthen the tough water management measures to implement measures of total quantity control and raise the efficiency of water resources.

Microwave Extraction of Lunar Water for Rocket Fuel

NASA Technical Reports Server (NTRS)

Ethridge, Edwin C.; Donahue, Benjamin; Kaukler, William

2008-01-01

Nearly 50% of the lunar surface is oxygen, present as oxides in silicate rocks and soil. Methods for reduction of these oxides could liberate the oxygen. Remote sensing has provided evidence of significant quantities of hydrogen possibly indicating hundreds of millions of metric tons, MT, of water at the lunar poles. If the presence of lunar water is verified, water is likely to be the first in situ resource exploited for human exploration and for LOX-H2 rocket fuel. In-Situ lunar resources offer unique advantages for space operations. Each unit of product produced on the lunar surface represents 6 units that need not to be launched into LEO. Previous studies have indicated the economic advantage of LOX for space tugs from LEO to GEO. Use of lunar derived LOX in a reusable lunar lander would greatly reduce the LEO mass required for a given payload to the moon. And Lunar LOX transported to L2 has unique advantages for a Mars mission. Several methods exist for extraction of oxygen from the soil. But, extraction of lunar water has several significant advantages. Microwave heating of lunar permafrost has additional important advantages for water extraction. Microwaves penetrate and heat from within not just at the surface and excavation is not required. Proof of concept experiments using a moon in a bottle concept have demonstrated that microwave processing of cryogenic lunar permafrost simulant in a vacuum rapidly and efficiently extracts water by sublimation. A prototype lunar water extraction rover was built and tested for heating of simulant. Microwave power was very efficiently delivered into a simulated lunar soil. Microwave dielectric properties (complex electric permittivity and magnetic permeability) of lunar regolith simulant, JSC-1A, were measured down to cryogenic temperatures and above room temperature. The microwave penetration has been correlated with the measured dielectric properties. Since the microwave penetration depth is a function of temperature and frequency, an extraction system can be designed for water removal from different depths.

Modelling runoff on ceramic tile roofs using the kinematic wave equations

NASA Astrophysics Data System (ADS)

Silveira, Alexandre; Abrantes, João; de Lima, João; Lira, Lincoln

2016-04-01

Rainwater harvesting is a water saving alternative strategy that presents many advantages and can provide solutions to address major water resources problems, such as fresh water scarcity, urban stream degradation and flooding. In recent years, these problems have become global challenges, due to climatic change, population growth and increasing urbanisation. Generally, roofs are the first to come into contact with rainwater; thus, they are the best candidates for rainwater harvesting. In this context, the correct evaluation of roof runoff quantity and quality is essential to effectively design rainwater harvesting systems. Despite this, many studies usually focus on the qualitative aspects in detriment of the quantitative aspects. Laboratory studies using rainfall simulators have been widely used to investigate rainfall-runoff processes. These studies enabled a detailed exploration and systematic replication of a large range of hydrologic conditions, such as rainfall spatial and temporal characteristics, providing for a fast way to obtain precise and consistent data that can be used to calibrate and validate numerical models. This study aims to evaluate the performance of a kinematic wave based numerical model in simulating runoff on sloping roofs, by comparing the numerical results with the ones obtained from laboratory rainfall simulations on a real-scale ceramic tile roof (Lusa tiles). For all studied slopes, simulated discharge hydrographs had a good adjust to observed ones. Coefficient of determination and Nash-Sutcliffe efficiency values were close to 1.0. Particularly, peak discharges, times to peak and peak durations were very well simulated.

The Bebig Valencia-type skin applicators: Dosimetric study and implementation of a dosimetric hybrid technique.

PubMed

Anagnostopoulos, Georgios; Andrássy, Michael; Baltas, Dimos

To determine the relative dose rate distribution in water for the Bebig 20 mm and 30 mm skin applicators and report results in a form suitable for potential clinical use. Results for both skin applicators are also provided in the form of a hybrid Task Group 43 (TG-43) dosimetry technique. Furthermore, the radiation leakage around both skin applicators from the radiation protection point of view and the impact of the geometrical source position uncertainties are studied and reported. Monte Carlo simulations were performed using the MCNP 6.1 general purpose code, which was benchmarked against published dosimetry data for the Bebig Ir2.A85-2 high-dose-rate iridium-192 source, as well as the dosimetry data for the two Elekta skin applicators. Both Bebig skin applicators were modeled, and the dose rate distributions in a water phantom were calculated. The dosimetric quantities derived according to a hybrid TG-43 dosimetry technique are provided with their corresponding uncertainty values. The air kerma rate in air was simulated in the vicinity of each skin applicator to assess the radiation leakage. Results from the Monte Carlo simulations of both skin applicators are presented in the form of figures and relative dose rate tables, and additionally with the aid of the quantities defined in the hybrid TG-43 dosimetry technique and their corresponding uncertainty values. Their output factors, flatness, and penumbra values were found comparable to the Elekta skin applicators. The radiation shielding was evaluated to be adequate. The effect of potential uncertainties in source positioning on dosimetry should be investigated as part of applicator commissioning. Copyright © 2017 American Brachytherapy Society. Published by Elsevier Inc. All rights reserved.

Numerical Investigations of Moisture Distribution in a Selected Anisotropic Soil Medium

NASA Astrophysics Data System (ADS)

Iwanek, M.

2018-01-01

The moisture of soil profile changes both in time and space and depends on many factors. Changes of the quantity of water in soil can be determined on the basis of in situ measurements, but numerical methods are increasingly used for this purpose. The quality of the results obtained using pertinent software packages depends on appropriate description and parameterization of soil medium. Thus, the issue of providing for the soil anisotropy phenomenon gains a big importance. Although anisotropy can be taken into account in many numerical models, isotopic soil is often assumed in the research process. However, this assumption can be a reason for incorrect results in the simulations of water changes in soil medium. In this article, results of numerical simulations of moisture distribution in the selected soil profile were presented. The calculations were conducted assuming isotropic and anisotropic conditions. Empirical verification of the results obtained in the numerical investigations indicated statistical essential discrepancies for the both analyzed conditions. However, better fitting measured and calculated moisture values was obtained for the case of providing for anisotropy in the simulation model.

Ions in water: Free energies, surface effects, and geometrical constraints

NASA Astrophysics Data System (ADS)

Herce, Henry David

In this work, we present our results for ion solvation in finite and infinite water clusters. Molecular Dynamic simulations are used to connect the fundamental macroscopic quantities such as free energy, internal energy and entropy with the underlying microscopic description. Molecular dynamics studies complement experimental results and lead to a deeper insight into the solvation and diffusion of ionic species. Beyond its intrinsic interest, the ion solvation problem has practical relevance because of its role as ideal model system with which to construct and test ion-water interaction potentials. The ionic charging free energy is a very sensitive probe for the treatment of electrostatics in any given simulation setting. In this work, we present methods to compute the ionic charging free energy in systems characterized by atomic charges, and higher-order multipoles, mainly dipoles and quadrupoles. The results of these methods under periodic boundary conditions and spherical boundary conditions are then compared. For the treatment of spherical boundary conditions, we introduce a generalization of Gauss' law that links the microscopic variables to the relevant thermodynamic quantities. Ionic solvation in finite clusters is a problem relevant for many areas of chemistry and biology, such as the gas-liquid interface of tropospheric aerosol particles, or the interphase between water and proteins, membranes, etc. Careful evaluations of the free energy, internal energy and entropy are used to address controversial or unresolved issues, related to the underlying physical cause of surface solvation, and the basic assumptions that go with it. Our main conclusions are the following: (i) The main cause of surface solvation of a single ion in a water cluster is both water and ion polarization, coupled to the charge and size of the ion. Interestingly, the total energy of the ion increases near the cluster surface, while the total energy of water decreases. Also, our analysis clearly shows that the cause of surface solvation is not the size of the total water dipole (unless this is too small). (ii) The entropic contribution is the same order of magnitude as the energetic contribution, and therefore cannot be neglected for quantitative results. (iii) A pure energetic analysis can give a qualitative description of the ion position at room temperature. (iv) We have observed surface solvation of a large positive iodine-like ion in a polarizable water cluster, but not in a non-polarizable water cluster.

Special nuclear material simulation device

DOEpatents

Leckey, John H.; DeMint, Amy; Gooch, Jack; Hawk, Todd; Pickett, Chris A.; Blessinger, Chris; York, Robbie L.

2014-08-12

An apparatus for simulating special nuclear material is provided. The apparatus typically contains a small quantity of special nuclear material (SNM) in a configuration that simulates a much larger quantity of SNM. Generally the apparatus includes a spherical shell that is formed from an alloy containing a small quantity of highly enriched uranium. Also typically provided is a core of depleted uranium. A spacer, typically aluminum, may be used to separate the depleted uranium from the shell of uranium alloy. A cladding, typically made of titanium, is provided to seal the source. Methods are provided to simulate SNM for testing radiation monitoring portals. Typically the methods use at least one primary SNM spectral line and exclude at least one secondary SNM spectral line.

Preface to volume 1: status and trends of water quality worldwide

USGS Publications Warehouse

Larsen, Matthew C.; Ahuja, Satinder; Eimers, Jo Leslie; Edited by Ahuja, Satinder

2013-01-01

Water quality and water quantity are closely linked. In all regions of the world, the quality and quantity of water must be considered together in order to sustain abundant water of the quality needed for drinking, irrigation, environmental health, industry, power generation, and recreation. Protecting and managing water to meet water needs requires comprehensive information and understanding of the impacts of natural settings and anthropogenic activities on water quality.

Integrated environmental monitoring and simulation system for use as a management decision support tool in urban areas.

PubMed

Fatta, D; Naoum, D; Loizidou, M

2002-04-01

Leachates are generated as a result of water or other liquid passing through waste at a landfill site. These contaminated liquids originate from a number of sources, including the water produced during the decomposition of the waste as well as rain-fall which penetrates the waste and dissolves the material with which it comes into contact. The penetration of the rain-water depends on the nature of the landfill (e.g. surface characteristics, type and quantity of vegetation, gradient of layers, etc). The uncontrolled infiltration of leachate into the vadose (unsaturated) zone and finally into the saturated zone (groundwater) is considered to be the most serious environmental impact of a landfill. In the present paper the water flow and the pollutant transport characteristics of the Ano Liosia Landfill site in Athens (Greece) were simulated by creating a model of groundwater flows and contaminant transport. A methodology for the model is presented. The model was then integrated into the Ecosim system which is a prototype funded by the EU, (Directorate General XIII: Telematics and Environment). This is an integrated environmental monitoring and modeling system, which supports the management of environmental planning in urban areas.

Chattahoochee River Water Quality Analysis.

DTIC Science & Technology

1978-04-01

in 1972 with WRE for addition of storm water quality computations. Since then the HEC has added other capabilities including snowmelt and land surface...Geological Survey. The storm water quality data were reported in reference 2. Quantity The quantity calibration involved adjusting the pervious area

7 CFR 1778.3 - Objective.

Code of Federal Regulations, 2011 CFR

2011-01-01

... quantity or quality of water, or in which such a decline is considered imminent, to obtain or maintain adequate quantities of water that meets the standards set by the Safe Drinking Water Act (42 U.S.C. 300f et... (CONTINUED) EMERGENCY AND IMMINENT COMMUNITY WATER ASSISTANCE GRANTS § 1778.3 Objective. The objective of the...

Frequency analysis of urban runoff quality in an urbanizing catchment of Shenzhen, China

NASA Astrophysics Data System (ADS)

Qin, Huapeng; Tan, Xiaolong; Fu, Guangtao; Zhang, Yingying; Huang, Yuefei

2013-07-01

This paper investigates the frequency distribution of urban runoff quality indicators using a long-term continuous simulation approach and evaluates the impacts of proposed runoff control schemes on runoff quality in an urbanizing catchment in Shenzhen, China. Four different indicators are considered to provide a comprehensive assessment of the potential impacts: total runoff depth, event pollutant load, Event Mean Concentration, and peak concentration during a rainfall event. The results obtained indicate that urban runoff quantity and quality in the catchment have significant variations in rainfall events and a very high rate of non-compliance with surface water quality regulations. Three runoff control schemes with the capacity to intercept an initial runoff depth of 5 mm, 10 mm, and 15 mm are evaluated, respectively, and diminishing marginal benefits are found with increasing interception levels in terms of water quality improvement. The effects of seasonal variation in rainfall events are investigated to provide a better understanding of the performance of the runoff control schemes. The pre-flood season has higher risk of poor water quality than other seasons after runoff control. This study demonstrates that frequency analysis of urban runoff quantity and quality provides a probabilistic evaluation of pollution control measures, and thus helps frame a risk-based decision making for urban runoff quality management in an urbanizing catchment.

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).

Assess water scarcity integrating water quantity and quality

NASA Astrophysics Data System (ADS)

Liu, J.; Zeng, Z.

2014-12-01

Water scarcity has become widespread all over the world. Current methods for water scarcity assessment are mainly based on water quantity and seldom consider water quality. Here, we develop an approach for assessing water scarcity considering both water quantity and quality. In this approach, a new water scarcity index is used to describe the severity of water scarcity in the form of a water scarcity meter, which may help to communicate water scarcity to a wider audience. To illustrate the approach, we analyzed the historical trend of water scarcity for Beijing city in China during 1995-2009, as well as the assessment for different river basins in China. The results show that Beijing made a huge progress in mitigating water scarcity, and that from 1999 to 2009 the blue and grey water scarcity index decreased by 59% and 62%, respectively. Despite this progress, we demonstrate that Beijing is still characterized by serious water scarcity due to both water quantity and quality. The water scarcity index remained at a high value of 3.5 with a blue and grey water scarcity index of 1.2 and 2.3 in 2009 (exceeding the thresholds of 0.4 and 1, respectively). As a result of unsustainable water use and pollution, groundwater levels continue to decline, and water quality shows a continuously deteriorating trend. To curb this trend, future water policies should further decrease water withdrawal from local sources (in particular groundwater) within Beijing, and should limit the grey water footprint below the total amount of water resources.

The Contribution of the Future SWOT Mission to Improve Simulations of River Stages and Stream-Aquifer Interactions at Regional Scale

NASA Astrophysics Data System (ADS)

Saleh, Firas; Filipo, Nicolas; Biancamaria, Sylvain; Habets, Florence; Rodriguez, Enersto; Mognard, Nelly

2013-09-01

The main objective of this study is to provide a realistic simulation of river stage in regional river networks in order to improve the quantification of stream-aquifer exchanges and better assess the associated aquifer responses that are often impacted by the magnitude and the frequency of the river stage fluctuations. This study extends the earlier work to improve the modeling of the Seine basin with a focus on simulating the hydrodynamics behavior of the Bassée alluvial wetland, a 120 km reach of the Seine River valley located south- east of Paris. The Bassée is of major importance for the drinking-water supply of Paris and surroundings, in addition to its particular hydrodynamic behavior due to the presence of a number of gravels. In this context, the understanding of stream-aquifer interactions is required for water quantity and quality preservation. A regional distributed process-based hydro(geo)logical model, Eau-Dyssée, is used. It aims at the integrated modeling of the hydrosystem to manage the various elements involved in the quantitative and qualitative aspects of water resources. Eau-Dyssée simulates pseudo 3D flow in aquifer systems solving the diffusivity equation with a finite difference numerical scheme. River flow is simulated with a Muskingum model. In addition to the in-stream discharge, a river stage estimate is needed to calculate the water exchange at the stream-aquifer interface using a conductance model. In this context, the future SWOT mission and its high-spatial resolution imagery can provide surface water level measurements at the regional scale that will permit to better characterize the Bassée complex hydro(geo)logical system and better assess soil water content. Moreover, the Bassée is considered as a potential target for the framework of the AirSWOT airborne campaign in France, 2013.

SU-F-T-193: Evaluation of a GPU-Based Fast Monte Carlo Code for Proton Therapy Biological Optimization

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

Taleei, R; Qin, N; Jiang, S

2016-06-15

Purpose: Biological treatment plan optimization is of great interest for proton therapy. It requires extensive Monte Carlo (MC) simulations to compute physical dose and biological quantities. Recently, a gPMC package was developed for rapid MC dose calculations on a GPU platform. This work investigated its suitability for proton therapy biological optimization in terms of accuracy and efficiency. Methods: We performed simulations of a proton pencil beam with energies of 75, 150 and 225 MeV in a homogeneous water phantom using gPMC and FLUKA. Physical dose and energy spectra for each ion type on the central beam axis were scored. Relativemore » Biological Effectiveness (RBE) was calculated using repair-misrepair-fixation model. Microdosimetry calculations were performed using Monte Carlo Damage Simulation (MCDS). Results: Ranges computed by the two codes agreed within 1 mm. Physical dose difference was less than 2.5 % at the Bragg peak. RBE-weighted dose agreed within 5 % at the Bragg peak. Differences in microdosimetric quantities such as dose average lineal energy transfer and specific energy were < 10%. The simulation time per source particle with FLUKA was 0.0018 sec, while gPMC was ∼ 600 times faster. Conclusion: Physical dose computed by FLUKA and gPMC were in a good agreement. The RBE differences along the central axis were small, and RBE-weighted dose difference was found to be acceptable. The combined accuracy and efficiency makes gPMC suitable for proton therapy biological optimization.« less

Provably unbounded memory advantage in stochastic simulation using quantum mechanics

NASA Astrophysics Data System (ADS)

Garner, Andrew J. P.; Liu, Qing; Thompson, Jayne; Vedral, Vlatko; Gu, mile

2017-10-01

Simulating the stochastic evolution of real quantities on a digital computer requires a trade-off between the precision to which these quantities are approximated, and the memory required to store them. The statistical accuracy of the simulation is thus generally limited by the internal memory available to the simulator. Here, using tools from computational mechanics, we show that quantum processors with a fixed finite memory can simulate stochastic processes of real variables to arbitrarily high precision. This demonstrates a provable, unbounded memory advantage that a quantum simulator can exhibit over its best possible classical counterpart.

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.

Process Design and Techno-economic Analysis for Materials to Treat Produced Waters.

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

Heimer, Brandon Walter; Paap, Scott M; Sasan, Koroush

Significant quantities of water are produced during enhanced oil recovery making these “produced water” streams attractive candidates for treatment and reuse. However, high concentrations of dissolved silica raise the propensity for fouling. In this paper, we report the design and economic analysis for a new ion exchange process using calcined hydrotalcite (HTC) to remove silica from water. This process improves upon known technologies by minimizing sludge product, reducing process fouling, and lowering energy use. Process modeling outputs included raw material requirements, energy use, and the minimum water treatment price (MWTP). Monte Carlo simulations quantified the impact of uncertainty and variabilitymore » in process inputs on MWTP. These analyses showed that cost can be significantly reduced if the HTC materials are optimized. Specifically, R&D improving HTC reusability, silica binding capacity, and raw material price can reduce MWTP by 40%, 13%, and 20%, respectively. Optimizing geographic deployment further improves cost competitiveness.« less

Landscaping practices, land use patterns and stormwater quantity and quality in urban watersheds

NASA Astrophysics Data System (ADS)

Miles, B.; Band, L. E.

2011-12-01

Increasing quantity and decreasing quality of urban stormwater threatens biodiversity in local streams and reservoirs, jeopardizes water supplies, and ultimately contributes to estuarine eutrophication. To estimate the effects that present and alternative landscaping practices and land use patterns may have on urban stormwater quantity and quality, simulations of existing land use/land cover using the Regional Hydro-Ecologic Simulation System (RHESSys), a process-based surface hydrology and biogeochemistry model, were developed for watersheds in Baltimore, MD (as part of the Baltimore Ecosystem Study (BES) NSF Long-Term Ecological Research (LTER) site) and Durham, NC (as part of the NSF Urban Long-Term Research Area (ULTRA) program). The influence of land use patterns and landscaping practices on nutrient export in urban watersheds has been explored as part of the BES; this work has focused on improving our understanding of how residential landscaping practices (i.e. lawn fertilization rates) vary across land use and socioeconomic gradients. Elsewhere, others have explored the political ecology of residential landscaping practices - seeking to understand the economic, political, and cultural influences on the practice of high-input residential turf-grass management. Going forward, my research will synthesize and extend this prior work. Rather than pre-supposing predominant residential land use patterns and landscaping practices (i.e. lower-density periphery development incorporating high-input turf landscapes) alternate land use and landscaping scenarios (e.g. higher-density/transit-oriented development, rain gardens, vegetable gardens, native plant/xeriscaping) will be developed through interviews/focus groups with stakeholders (citizens, public officials, developers, non-profits). These scenarios will then be applied to the RHESSys models already developed for catchments in Baltimore and Durham. The modeled scenario results will be used to identify alternate land use patterns and landscaping practices that would: (1) help to reduce non-point sources of nutrient pollution in urban watersheds; and (2) be likely to gain public support. This research will inform sustainable development policy while furthering interdisciplinary research in the fields of planning and water resource management.

Integrated assessment of the impact of climate and land use changes on groundwater quantity and quality in the Mancha Oriental system (Spain)

NASA Astrophysics Data System (ADS)

Pulido-Velazquez, M.; Peña-Haro, S.; García-Prats, A.; Mocholi-Almudever, A. F.; Henriquez-Dole, L.; Macian-Sorribes, H.; Lopez-Nicolas, A.

2015-04-01

Climate and land use change (global change) impacts on groundwater systems cannot be studied in isolation. Land use and land cover (LULC) changes have a great impact on the water cycle and contaminant production and transport. Groundwater flow and storage are changing in response not only to climatic changes but also to human impacts on land uses and demands, which will alter the hydrologic cycle and subsequently impact the quantity and quality of regional water systems. Predicting groundwater recharge and discharge conditions under future climate and land use changes is essential for integrated water management and adaptation. In the Mancha Oriental system (MOS), one of the largest groundwater bodies in Spain, the transformation from dry to irrigated lands during the last decades has led to a significant drop of the groundwater table, with the consequent effect on stream-aquifer interaction in the connected Jucar River. Understanding the spatial and temporal distribution of water quantity and water quality is essential for a proper management of the system. On the one hand, streamflow depletion is compromising the dependent ecosystems and the supply to the downstream demands, provoking a complex management issue. On the other hand, the intense use of fertilizer in agriculture is leading to locally high groundwater nitrate concentrations. In this paper we analyze the potential impacts of climate and land use change in the system by using an integrated modeling framework that consists in sequentially coupling a watershed agriculturally based hydrological model (Soil and Water Assessment Tool, SWAT) with a groundwater flow model developed in MODFLOW, and with a nitrate mass-transport model in MT3DMS. SWAT model outputs (mainly groundwater recharge and pumping, considering new irrigation needs under changing evapotranspiration (ET) and precipitation) are used as MODFLOW inputs to simulate changes in groundwater flow and storage and impacts on stream-aquifer interaction. SWAT and MODFLOW outputs (nitrate loads from SWAT, groundwater velocity field from MODFLOW) are used as MT3DMS inputs for assessing the fate and transport of nitrate leached from the topsoil. Three climate change scenarios have been considered, corresponding to three different general circulation models (GCMs) for emission scenario A1B that covers the control period, and short-, medium- and long-term future periods. A multi-temporal analysis of LULC change was carried out, helped by the study of historical trends (from remote-sensing images) and key driving forces to explain LULC transitions. Markov chains and European scenarios and projections were used to quantify trends in the future. The cellular automata technique was applied for stochastic modeling future LULC maps. Simulated values of river discharge, crop yields, groundwater levels and nitrate concentrations fit well to the observed ones. The results show the response of groundwater quantity and quality (nitrate pollution) to climate and land use changes, with decreasing groundwater recharge and an increase in nitrate concentrations. The sequential modeling chain has been proven to be a valuable assessment tool for supporting the development of sustainable management strategies.

Burden shifting of water quantity and quality stress from megacity Shanghai

NASA Astrophysics Data System (ADS)

Zhao, Xu; Liu, Junguo; Yang, Hong; Duarte, Rosa; Tillotson, Martin R.; Hubacek, Klaus

2016-09-01

Much attention has been paid to burden shifting of CO2 emissions from developed regions to developing regions through trade. However, less discussed is that trade also acts as a mechanism enabling wealthy consumers to shift water quantity and quality stress to their trading partners. In this study, we investigate how Shanghai, the largest megacity in China, draws water resources from all over China and outsources its pollution through virtual quantity and quality water flows associated with trade. The results show that Shanghai's consumption of goods and services in 2007 led to 11.6 billion m3 of freshwater consumption, 796 thousand tons of COD, and 16.2 thousand tons of NH3-N in discharged wastewater. Of this, 79% of freshwater consumption, 82.9% of COD and 82.5% of NH3-N occurred in other Chinese Provinces which provide goods and services to Shanghai. Thirteen Provinces with severe and extreme water quantity stress accounted for 60% of net virtual water import to Shanghai, while 19 Provinces experiencing water quality stress endured 79% of net COD outsourcing and 75.5% of net NH3-N outsourcing from Shanghai. In accordance with the three "redlines" recently put forward by the Chinese central government to control water pollution and cap total water use in all provinces, we suggest that Shanghai should share its responsibility for reducing water quantity and quality stress in its trading partners through taking measures at provincial, industrial, and consumer levels. In the meantime, Shanghai needs to enhance demand side management by promoting low water intensity consumption.

Influences of management of Southern forests on water quantity and quality

Treesearch

Ge Sun; Mark Riedel; Rhett Jackson; Randy Kolka; Devendra Amatya; Jim Shepard

2004-01-01

Water is a key output of southern forests and is critical to other processes, functions, and values of forest ecosystems. This chapter synthesizes published literature about the effects of forest management practices on water quantity and water quality across the Southern United States region. We evaluate the influences of forest management at different temporal and...

Worse than imagined: Unidentified virtual water flows in China.

PubMed

Cai, Beiming; Wang, Chencheng; Zhang, Bing

2017-07-01

The impact of virtual water flows on regional water scarcity in China had been deeply discussed in previous research. However, these studies only focused on water quantity, the impact of virtual water flows on water quality has been largely neglected. In this study, we incorporate the blue water footprint related with water quantity and grey water footprint related with water quality into virtual water flow analysis based on the multiregional input-output model of 2007. The results find that the interprovincial virtual flows accounts for 23.4% of China's water footprint. The virtual grey water flows are 8.65 times greater than the virtual blue water flows; the virtual blue water and grey water flows are 91.8 and 794.6 Gm 3 /y, respectively. The use of the indicators related with water quantity to represent virtual water flows in previous studies will underestimate their impact on water resources. In addition, the virtual water flows are mainly derived from agriculture, chemical industry and petroleum processing and the coking industry, which account for 66.8%, 7.1% and 6.2% of the total virtual water flows, respectively. Virtual water flows have intensified both quantity- and quality-induced water scarcity of export regions, where low-value-added but water-intensive and high-pollution goods are produced. Our study on virtual water flows can inform effective water use policy for both water resources and water pollution in China. Our methodology about virtual water flows also can be used in global scale or other countries if data available. Copyright © 2017 Elsevier Ltd. All rights reserved.

Effects of nonindigenous invasive species on water quality and quantity

Treesearch

Frank H. McCormick; Glen C. Contreras; Sherri L. Johnson

2010-01-01

Physical and biological disruptions of aquatic systems caused by invasive species alter water quantity and water quality. Recent evidence suggests that water is a vector for the spread of Sudden Oak Death disease and Port-Orfordcedar root disease. Since the 1990s, the public has become increasingly aware of the presence of invasive species in the Nation’s waters. Media...

Radio frequency tank eigenmode sensor for propellant quantity gauging

NASA Technical Reports Server (NTRS)

Zimmerli, Gregory A. (Inventor)

2013-01-01

A method for measuring the quantity of fluid in a tank may include the steps of selecting a match between a measured set of electromagnetic eigenfrequencies and a simulated plurality of sets of electromagnetic eigenfrequencies using a matching algorithm, wherein the match is one simulated set of electromagnetic eigenfrequencies from the simulated plurality of sets of electromagnetic eigenfrequencies, and determining the fill level of the tank based upon the match.

Simulated wetland conservation-restoration effects on water quantity and quality at watershed scale.

PubMed

Wang, Xixi; Shang, Shiyou; Qu, Zhongyi; Liu, Tingxi; Melesse, Assefa M; Yang, Wanhong

2010-07-01

Wetlands are one of the most important watershed microtopographic features that affect hydrologic processes (e.g., routing) and the fate and transport of constituents (e.g., sediment and nutrients). Efforts to conserve existing wetlands and/or to restore lost wetlands require that watershed-level effects of wetlands on water quantity and water quality be quantified. Because monitoring approaches are usually cost or logistics prohibitive at watershed scale, distributed watershed models such as the Soil and Water Assessment Tool (SWAT), enhanced by the hydrologic equivalent wetland (HEW) concept developed by Wang [Wang, X., Yang, W., Melesse, A.M., 2008. Using hydrologic equivalent wetland concept within SWAT to estimate streamflow in watersheds with numerous wetlands. Trans. ASABE 51 (1), 55-72.], can be a best resort. However, there is a serious lack of information about simulated effects using this kind of integrated modeling approach. The objective of this study was to use the HEW concept in SWAT to assess effects of wetland restoration within the Broughton's Creek watershed located in southwestern Manitoba, and of wetland conservation within the upper portion of the Otter Tail River watershed located in northwestern Minnesota. The results indicated that the HEW concept allows the nonlinear functional relations between watershed processes and wetland characteristics (e.g., size and morphology) to be accurately represented in the models. The loss of the first 10-20% of the wetlands in the Minnesota study area would drastically increase the peak discharge and loadings of sediment, total phosphorus (TP), and total nitrogen (TN). On the other hand, the justifiable reductions of the peak discharge and loadings of sediment, TP, and TN in the Manitoba study area may require that 50-80% of the lost wetlands be restored. Further, the comparison between the predicted restoration and conservation effects revealed that wetland conservation seems to deserve a higher priority while both wetland conservation and restoration may be equally important. Copyright 2010 Elsevier Ltd. All rights reserved.

Municipal water quantities and health in Nunavut households: an exploratory case study in Coral Harbour, Nunavut, Canada

PubMed Central

Daley, Kiley; Castleden, Heather; Jamieson, Rob; Furgal, Chris; Ell, Lorna

2014-01-01

Background Access to adequate quantities of water has a protective effect on human health and well-being. Despite this, public health research and interventions are frequently focused solely on water quality, and international standards for domestic water supply minimums are often overlooked or unspecified. This trend is evident in Inuit and other Arctic communities even though numerous transmissible diseases and bacterium infections associated with inadequate domestic water quantities are prevalent. Objectives Our objective was to explore the pathways by which the trucked water distribution systems being used in remote northern communities are impacting health at the household level, with consideration given to the underlying social and environmental determinants shaping health in the region. Methods Using a qualitative case study design, we conducted 37 interviews (28 residents, 9 key informants) and a review of government water documents to investigate water usage practices and perspectives. These data were thematically analysed to understand potential health risks in Arctic communities and households. Results Each resident receives an average of 110 litres of municipal water per day. Fifteen of 28 households reported experiencing water shortages at least once per month. Of those 15, most were larger households (5 people or more) with standard sized water storage tanks. Water shortages and service interruptions limit the ability of some households to adhere to public health advice. The households most resilient, or able to cope with domestic water supply shortages, were those capable of retrieving their own drinking water directly from lake and river sources. Residents with extended family and neighbours, whom they can rely on during shortages, were also less vulnerable to municipal water delays. Conclusions The relatively low in-home water quantities observed in Coral Harbour, Nunavut, appear adequate for some families. Those living in overcrowded households, however, are accessing water in quantities more typically seen in water insecure developing countries. We recommend several practical interventions and revisions to municipal water supply systems. PMID:24765615

Municipal water quantities and health in Nunavut households: an exploratory case study in Coral Harbour, Nunavut, Canada.

PubMed

Daley, Kiley; Castleden, Heather; Jamieson, Rob; Furgal, Chris; Ell, Lorna

2014-01-01

Access to adequate quantities of water has a protective effect on human health and well-being. Despite this, public health research and interventions are frequently focused solely on water quality, and international standards for domestic water supply minimums are often overlooked or unspecified. This trend is evident in Inuit and other Arctic communities even though numerous transmissible diseases and bacterium infections associated with inadequate domestic water quantities are prevalent. Our objective was to explore the pathways by which the trucked water distribution systems being used in remote northern communities are impacting health at the household level, with consideration given to the underlying social and environmental determinants shaping health in the region. Using a qualitative case study design, we conducted 37 interviews (28 residents, 9 key informants) and a review of government water documents to investigate water usage practices and perspectives. These data were thematically analysed to understand potential health risks in Arctic communities and households. Each resident receives an average of 110 litres of municipal water per day. Fifteen of 28 households reported experiencing water shortages at least once per month. Of those 15, most were larger households (5 people or more) with standard sized water storage tanks. Water shortages and service interruptions limit the ability of some households to adhere to public health advice. The households most resilient, or able to cope with domestic water supply shortages, were those capable of retrieving their own drinking water directly from lake and river sources. Residents with extended family and neighbours, whom they can rely on during shortages, were also less vulnerable to municipal water delays. The relatively low in-home water quantities observed in Coral Harbour, Nunavut, appear adequate for some families. Those living in overcrowded households, however, are accessing water in quantities more typically seen in water insecure developing countries. We recommend several practical interventions and revisions to municipal water supply systems.

Impact of rural water projects on hygienic behaviour in Swaziland

NASA Astrophysics Data System (ADS)

Peter, Graciana

In Swaziland, access to safe water supply and sanitation has improved significantly and was expected to result in improved health and, in particular, reduced infant mortality rates. On the contrary, mortality rates in the under 5 years age group are high and have doubled from 60 in 1996, to 120 deaths per 1000 in 2006. The main objective of the study was to assess whether the water projects permit, and are accompanied by, changes in hygienic behaviour to prevent transmission of diseases. The study area was Phonjwane, located in the dry Lowveld of Swaziland, where water projects play a significant role in meeting domestic water demands. Hygienic behaviour and sanitation facilities were analysed and compared before and after project. The results of the study show that domestic water supply projects have significantly reduced distances travelled and time taken to collect water, and that increased quantities of water are collected and used. While the majority of respondents (95.6%) used the domestic water project source, the quantities allowed per household (125 l which translates to an average of 20.8 l per person) were insufficient and therefore were supplemented with harvested rainwater (57.8%), water from a polluted river (17.8%), and water from a dam (2.2%). Increased water quantities have permitted more baths and washing of clothes and hands, but significant proportions of the population still skip hygienic practices such as keeping water for washing hands inside or near toilet facilities (40%) and washing hands (20%). The study concludes that the water supply project has permitted and improved hygienic practices but not sufficiently. The health benefits of safe domestic water supplies are hampered by insufficient quantities of water availed through the projects, possible contamination of the water in the house, poor hygienic behaviours and lack of appropriate sanitation measures by some households. There is a need to provide sufficient quantities of safe water to meet all domestic demands. Domestic water supply must be accompanied by appropriate sanitation and hygienic education.

Water resources in the area of Snyderville Basin and Park City in Summit County, Utah

USGS Publications Warehouse

Susong, David D.; Brooks, Lynette E.; Mason, James L.

1998-01-01

Ground water is the primary source of water for residents living in the area of Synderville Basin and Park City in Summit County, Utah. Rapid residential and commercial development are placing increased demands on the ground-water resources in the area and increased ground-water withdrawals could affect appropriated surface-water resources. The quantity and quality of water in the area were assessed during 1993-97 in a study done by the U.S. Geological Survey in cooperation with the Utah Department of Natural Resources, Division of Water Rights; Park City; Summit County; and the Weber Basin Water Conservancy District. This fact sheet presents a synopsis of the eports prepared for that study. Data collected during the 1994 and 1995 water years are presented in Downhour and Brooks (1996). A water year extends from October through September rather than January through December of a calendar year. Streamflow and surface-water quality; ground- water recharge, movement, discharge, and quality; water budgets; and snowmelt simulations are described in Brooks, Mason, and Susong (1998). The purpose of the study was to provide the Utah Division of Water Rights with data to assist them in- making water management decisions.

Water quantity and quality model for the evaluation of water-management strategies in the Netherlands: application to the province of Friesland

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

Brinkman, J.J.; Griffioen, P.S.; Groot, S.

1987-03-01

The Netherlands have a rather complex water-management system consisting of a number of major rivers, canals, lakes and ditches. Water-quantity management on a regional scale is necessary for an effective water-quality policy. To support water management, a computer model was developed that includes both water quality and water quantity, based on three submodels: ABOPOL for the water movement, DELWAQ for the calculation of water quality variables and BLOOM-II for the phytoplankton growth. The northern province of Friesland was chosen as a test case for the integrated model to be developed, where water quality is highly related to the water distributionmore » and the main trade-off is minimizing the intake of (eutrophicated) alien water in order to minimize external nutrient load and maximizing the intake in order to flush channels and lakes. The results of the application of these models to this and to a number of hypothetical future situations are described.« less

Clouds-radiation interactions in a general circulation model - Impact upon the planetary radiation balance

NASA Technical Reports Server (NTRS)

Smith, Laura D.; Vonder Haar, Thomas H.

1991-01-01

Simultaneously conducted observations of the earth radiation budget and the cloud amount estimates, taken during the June 1979 - May 1980 Nimbus 7 mission were used to show interactions between the cloud amount and raidation and to verify a long-term climate simulation obtained with the latest version of the NCAR Community Climate Model (CCM). The parameterization of the radiative, dynamic, and thermodynamic processes produced the mean radiation and cloud quantities that were in reasonable agreement with satellite observations, but at the expense of simulating their short-term fluctuations. The results support the assumption that the inclusion of the cloud liquid water (ice) variable would be the best mean to reduce the blinking of clouds in NCAR CCM.

Estimated use of water in the United States, 1955

USGS Publications Warehouse

MacKichan, Kenneth Allen

1957-01-01

The estimated withdrawal use of water in the United States during 1955 was about 740,000 mgd (million gallons per day). Withdrawal use of water requires that it be removed from the ground or diverted from a stream or lake. In this report it is divided into five types: public supplies, rural, irrigation, self-supplied industrial, and waterpower. Consumptive use of water is the quantity discharged to the atmosphere or incorporated in the products of the process in which it was used. Only a small part of the water withdrawn for industry was consumed, but as much as 60 percent of the water withdrawn for irrigation may have been consumed.Of the water withdrawn in 1955 about 1,500,000 mgd was for generation of waterpower, and all other withdrawal uses amounted to only about 240,000 mgd. Surface-water sources supplied 194,000 mgd and groundwater sources supplied 46,000 mgd. The amount of water withdrawn in each State and in each of 19 geographic regions is given.The quantity of water used without being withdrawn for such purposes as navigation, recreation, and conservation of fish and wildlife was not determined. The water surface area of the reservoirs and lakes used to store water for these purposes is sufficiently large that the evaporation from this source is greater than the quantity of water withdrawn for rural and public supplies.The amount of water used for generation of waterpower has increased 36 percent since 1950. The largest increase, 43 percent, was in self-supplied industrial water. Rural use, excluding irrigation, decreased 31 percent.The upper limit of our water supply is the average annual runoff, nearly 1,200, 000 mgd. The supply is depleted by the quantity of water consumed rather than by the quantity withdrawn. In 1955 about one-fourth of the water withdrawn was consumed. The amount thus consumed is about one-twentieth of the supply.

Assessing regional scale predictions of aerosols, marine stratocumulus, and their interactions during VOCALS-REx using WRF-Chem

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

Yang Q.; Lee Y.; Gustafson Jr., W. I.

2011-12-02

This study assesses the ability of the recent chemistry version (v3.3) of the Weather Research and Forecasting (WRF-Chem) model to simulate boundary layer structure, aerosols, stratocumulus clouds, and energy fluxes over the Southeast Pacific Ocean. Measurements from the VAMOS Ocean-Cloud-Atmosphere-Land Study Regional Experiment (VOCALS-REx) and satellite retrievals (i.e., products from the MODerate resolution Imaging Spectroradiometer (MODIS), Clouds and Earth's Radiant Energy System (CERES), and GOES-10) are used for this assessment. The Morrison double-moment microphysics scheme is newly coupled with interactive aerosols in the model. The 31-day (15 October-16 November 2008) WRF-Chem simulation with aerosol-cloud interactions (AERO hereafter) is also comparedmore » to a simulation (MET hereafter) with fixed cloud droplet number concentrations in the microphysics scheme and simplified cloud and aerosol treatments in the radiation scheme. The well-simulated aerosol quantities (aerosol number, mass composition and optical properties), and the inclusion of full aerosol-cloud couplings lead to significant improvements in many features of the simulated stratocumulus clouds: cloud optical properties and microphysical properties such as cloud top effective radius, cloud water path, and cloud optical thickness. In addition to accounting for the aerosol direct and semi-direct effects, these improvements feed back to the simulation of boundary-layer characteristics and energy budgets. Particularly, inclusion of interactive aerosols in AERO strengthens the temperature and humidity gradients within the capping inversion layer and lowers the marine boundary layer (MBL) depth by 130 m from that of the MET simulation. These differences are associated with weaker entrainment and stronger mean subsidence at the top of the MBL in AERO. Mean top-of-atmosphere outgoing shortwave fluxes, surface latent heat, and surface downwelling longwave fluxes are in better agreement with observations in AERO, compared to the MET simulation. Nevertheless, biases in some of the simulated meteorological quantities (e.g., MBL temperature and humidity) and aerosol quantities (e.g., underestimations of accumulation mode aerosol number) might affect simulated stratocumulus and energy fluxes over the Southeastern Pacific, and require further investigation. The well-simulated timing and outflow patterns of polluted and clean episodes demonstrate the model's ability to capture daily/synoptic scale variations of aerosol and cloud properties, and suggest that the model is suitable for studying atmospheric processes associated with pollution outflow over the ocean. The overall performance of the regional model in simulating mesoscale clouds and boundary layer properties is encouraging and suggests that reproducing gradients of aerosol and cloud droplet concentrations and coupling cloud-aerosol-radiation processes are important when simulating marine stratocumulus over the Southeast Pacific.« less

Combining groundwater quality analysis and a numerical flow simulation for spatially establishing utilization strategies for groundwater and surface water in the Pingtung Plain

NASA Astrophysics Data System (ADS)

Jang, Cheng-Shin; Chen, Ching-Fang; Liang, Ching-Ping; Chen, Jui-Sheng

2016-02-01

Overexploitation of groundwater is a common problem in the Pingtung Plain area of Taiwan, resulting in substantial drawdown of groundwater levels as well as the occurrence of severe seawater intrusion and land subsidence. Measures need to be taken to preserve these valuable groundwater resources. This study seeks to spatially determine the most suitable locations for the use of surface water on this plain instead of extracting groundwater for drinking, irrigation, and aquaculture purposes based on information obtained by combining groundwater quality analysis and a numerical flow simulation assuming the planning of manmade lakes and reservoirs to the increase of water supply. The multivariate indicator kriging method is first used to estimate occurrence probabilities, and to rank townships as suitable or unsuitable for groundwater utilization according to water quality standards for drinking, irrigation, and aquaculture. A numerical model of groundwater flow (MODFLOW) is adopted to quantify the recovery of groundwater levels in townships after model calibration when groundwater for drinking and agricultural demands has been replaced by surface water. Finally, townships with poor groundwater quality and significant increases in groundwater levels in the Pingtung Plain are prioritized for the groundwater conservation planning based on the combined assessment of groundwater quality and quantity. The results of this study indicate that the integration of groundwater quality analysis and the numerical flow simulation is capable of establishing sound strategies for joint groundwater and surface water use. Six southeastern townships are found to be suitable locations for replacing groundwater with surface water from manmade lakes or reservoirs to meet drinking, irrigation, and aquaculture demands.

The Role of Science in Managed Aquifer Recharge--the Equus Beds aquifer near Wichita, Kansas Andrew Ziegler, Director Brian Kelly, Office Chief Michael Jacobs, Manager of Water Planning and Production Debra Ary, Engineer, Water Systems Planning (Invited)

NASA Astrophysics Data System (ADS)

Ziegler, A. C.; Jacobs, M.; Ary, D.; Kelly, B.

2013-12-01

Data collection and interpretation using statistical, geochemical, and numerical simulation tools are essential parts of a long-term cooperative study between the city of Wichita, U.S. Geological Survey, and others to describe water quantity and quality conditions in a 165 square-mile part of the Equus Beds aquifer and Arkansas and Little Arkansas Rivers. The Equus Beds aquifer, eastern part of the High Plains Aquifer in south-central Kansas, is a vital water resource for agriculture and city of Wichita. Withdrawals for public supply began in the 1940s and agricultural irrigation began in the 1950-60s. These withdrawals led to water-level declines of up to 40 feet (historic low in 1993), a storage loss of 250,000 acre feet compared to predevelopment, and may enhance movement of chloride contamination from a past oilfield disposal area near Burrton and from natural chloride along the Arkansas River. Monitoring data and modeling show chloride near Burrton moved about 3 miles in 45 years, is about 1 mile away from the nearest public supply wells, and will continue to move for decades to centuries making the water unusable for irrigation or water supply without treatment. These concerns led to development of Wichita's 1993 integrated local water-supply plan that increased use of Cheney Reservoir and implemented aquifer storage and recovery (ASR) within the aquifer using high flows from the Little Arkansas River. ASR benefits include replacing depleted storage and slowing chloride movement. Decreased withdrawals, increased precipitation, and artificial recharge increased water levels and added 100,000 acre feet of storage through 2010, but drought since 2011 has increased withdrawals. A calibrated model will be used to simulate transport of chloride under several withdrawal scenarios using MODFLOW coupled with SEAWAT. Since 1995, water-quality data collection for more than 400 organic and inorganic compounds in surface water, treated source water for artificial recharge, and groundwater identified indicator bacteria, atrazine, chloride, sodium, nitrate, arsenic, iron, and manganese as constituents of concern exceeding water-quality criteria in baseline samples. Techniques were developed to estimate Little Arkansas River water quality in real-time for treatment. Geochemical modeling using PHREEQC and PHAST shows that groundwater quality is not changed if groundwater and recharge water are of similar redox potential. If different, calcite or metal hydroxides may precipitate and decrease water infiltration. A network of 38 locations with shallow and deep wells characterizes the recharge quantities and qualities for the city of Wichita to withdraw when needed from storage. Through 2013, the Demonstration project and Phase 1 and 2 facilities (capacity 40 MGD) have artificially recharged about 2 billion gallons. Total construction costs are about $300,000,000. Data-collection, interpretative geochemical and numerical simulations and water-quality transport modeling tools developed in the past 70 years are a scientific foundation to effectively and objectively manage this aquifer system.

Strain-based diffusion solver for realistic representation of diffusion front in physical reactions

PubMed Central

2017-01-01

When simulating fluids, such as water or fire, interacting with solids, it is a challenging problem to represent details of diffusion front in physical reaction. Previous approaches commonly use isotropic or anisotropic diffusion to model the transport of a quantity through a medium or long interface. We have identified unrealistic monotonous patterns with previous approaches and therefore, propose to extend these approaches by integrating the deformation of the material with the diffusion process. Specifically, stretching deformation represented by strain is incorporated in a divergence-constrained diffusion model. A novel diffusion model is introduced to increase the global rate at which the solid acquires relevant quantities, such as heat or saturation. This ensures that the equations describing fluid flow are linked to the change of solid geometry, and also satisfy the divergence-free condition. Experiments show that our method produces convincing results. PMID:28448591

Structure-function relationships in sapwood water transport and storage.

Treesearch

Barbara L. Gartner; Frederick C. Meinzer

2005-01-01

Primary production by plants requires the loss of substantial quantities of water when the stomata are open for carbon assimilation. The delivery of that water to the leaves occurs through the xylem. The structure, condition, and quantity of the xylem control not only the transport efficiency but also the release of water from storage. For example, if there is high...

Lunar Outpost Life Support Architecture Study Based on a High-Mobility Exploration Scenario

NASA Technical Reports Server (NTRS)

Lange, Kevin E.; Anderson, Molly S.

2010-01-01

This paper presents results of a life support architecture study based on a 2009 NASA lunar surface exploration scenario known as Scenario 12. The study focuses on the assembly complete outpost configuration and includes pressurized rovers as part of a distributed outpost architecture in both stand-alone and integrated configurations. A range of life support architectures are examined reflecting different levels of closure and distributed functionality. Monte Carlo simulations are used to assess the sensitivity of results to volatile high-impact mission variables, including the quantity of residual Lander oxygen and hydrogen propellants available for scavenging, the fraction of crew time away from the outpost on excursions, total extravehicular activity hours, and habitat leakage. Surpluses or deficits of water and oxygen are reported for each architecture, along with fixed and 10-year total equivalent system mass estimates relative to a reference case. System robustness is discussed in terms of the probability of no water or oxygen resupply as determined from the Monte Carlo simulations.

Hazard-Specific Vulnerability Mapping for Water Security in a Shale Gas Context

NASA Astrophysics Data System (ADS)

Allen, D. M.; Holding, S.; McKoen, Z.

2015-12-01

Northeast British Columbia (NEBC) is estimated to hold large reserves of unconventional natural gas and has experienced rapid growth in shale gas development activities over recent decades. Shale gas development has the potential to impact the quality and quantity of surface and ground water. Robust policies and sound water management are required to protect water security in relation to the water-energy nexus surrounding shale gas development. In this study, hazard-specific vulnerability mapping was conducted across NEBC to identify areas most vulnerable to water quality and quantity deterioration due to shale gas development. Vulnerability represents the combination of a specific hazard threat and the susceptibility of the water system to that threat. Hazard threats (i.e. potential contamination sources and water abstraction) were mapped spatially across the region. The shallow aquifer susceptibility to contamination was characterised using the DRASTIC aquifer vulnerability approach, while the aquifer susceptibility to abstraction was mapped according to aquifer productivity. Surface water susceptibility to contamination was characterised on a watershed basis to describe the propensity for overland flow (i.e. contaminant transport), while watershed discharge estimates were used to assess surface water susceptibility to water abstractions. The spatial distribution of hazard threats and susceptibility were combined to form hazard-specific vulnerability maps for groundwater quality, groundwater quantity, surface water quality and surface water quantity. The vulnerability maps identify priority areas for further research, monitoring and policy development. Priority areas regarding water quality occur where hazard threat (contamination potential) coincide with high aquifer susceptibility or high overland flow potential. Priority areas regarding water quantity occur where demand is estimated to represent a significant proportion of estimated supply. The identification of priority areas allows for characterization of the vulnerability of water security in the region. This vulnerability mapping approach, using the hazard threat and susceptibility indicators, can be applied to other shale gas areas to assess vulnerability to shale gas activities and support water security.

Physical habitat simulation system reference manual: version II

USGS Publications Warehouse

Milhous, Robert T.; Updike, Marlys A.; Schneider, Diane M.

1989-01-01

There are four major components of a stream system that determine the productivity of the fishery (Karr and Dudley 1978). These are: (1) flow regime, (2) physical habitat structure (channel form, substrate distribution, and riparian vegetation), (3) water quality (including temperature), and (4) energy inputs from the watershed (sediments, nutrients, and organic matter). The complex interaction of these components determines the primary production, secondary production, and fish population of the stream reach. The basic components and interactions needed to simulate fish populations as a function of management alternatives are illustrated in Figure I.1. The assessment process utilizes a hierarchical and modular approach combined with computer simulation techniques. The modular components represent the "building blocks" for the simulation. The quality of the physical habitat is a function of flow and, therefore, varies in quality and quantity over the range of the flow regime. The conceptual framework of the Incremental Methodology and guidelines for its application are described in "A Guide to Stream Habitat Analysis Using the Instream Flow Incremental Methodology" (Bovee 1982). Simulation of physical habitat is accomplished using the physical structure of the stream and streamflow. The modification of physical habitat by temperature and water quality is analyzed separately from physical habitat simulation. Temperature in a stream varies with the seasons, local meteorological conditions, stream network configuration, and the flow regime; thus, the temperature influences on habitat must be analysed on a stream system basis. Water quality under natural conditions is strongly influenced by climate and the geological materials, with the result that there is considerable natural variation in water quality. When we add the activities of man, the possible range of water quality possibilities becomes rather large. Consequently, water quality must also be analysed on a stream system basis. Such analysis is outside the scope of this manual, which concentrates on simulation of physical habitat based on depth, velocity, and a channel index. The results form PHABSIM can be used alone or by using a series of habitat time series programs that have been developed to generate monthly or daily habitat time series from the Weighted Usable Area versus streamflow table resulting from the habitat simulation programs and streamflow time series data. Monthly and daily streamflow time series may be obtained from USGS gages near the study site or as the output of river system management models.

Freezing of Water in Dormant Vegetative Apple Buds in Relation to Cryopreservation 1

PubMed Central

Tyler, Nancy; Stushnoff, Cecil; Gusta, Larry V.

1988-01-01

Various empirical prefreezing protocols have been used to facilitate cryopreservation of dormant buds from woody plants. The objective of this research was to determine the quantity of water remaining in liquid phase, under different prefreezing conditions using pulsed nuclear magnetic resonance spectroscopy of dormant apple (Malus domestica Mill.) buds from three cultivars. During prefreezing, the quantity of water remaining in the liquid phase was less at −40°C<−30°C<−20°C for all cultivars tested. The prefreezing temperature had a greater influence on reducing the quantity of liquid water than the duration of prefreezing. Prefreezing to −40°C for 24 hours was optimal for `Patterson' and `McIntosh,' the hardiest cultivars, compared to −30°C for 24 hours with `Red Delicious.' Cryopreservation of dormant apple buds depends upon the quantity of liquid water during prefreezing, prior to immersion in liquid nitrogen, and upon the cultivar. PMID:16666103

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.

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.

Stormwater Management Impacts on Urban Stream Water Quality and Quantity During and After Development in Clarksburg, MD

EPA Science Inventory

Urbanization and urban land use leads to degradation of local stream habitat generally termed as ‘urban stream syndrome.’ Best Management Practices (BMPs) are often used in an attempt to mitigate water quality and water quantity degradation in urban streams. Traditional developme...

Stochastic simulation of ecohydrological interactions between vegetation and groundwater

NASA Astrophysics Data System (ADS)

Dwelle, M. C.; Ivanov, V. Y.; Sargsyan, K.

2017-12-01

The complex interactions between groundwater and vegetation in the Amazon rainforest may yield vital ecophysiological interactions in specific landscape niches such as buffering plant water stress during dry season or suppression of water uptake due to anoxic conditions. Representation of such processes is greatly impacted by both external and internal sources of uncertainty: inaccurate data and subjective choice of model representation. The models that can simulate these processes are complex and computationally expensive, and therefore make it difficult to address uncertainty using traditional methods. We use the ecohydrologic model tRIBS+VEGGIE and a novel uncertainty quantification framework applied to the ZF2 watershed near Manaus, Brazil. We showcase the capability of this framework for stochastic simulation of vegetation-hydrology dynamics. This framework is useful for simulation with internal and external stochasticity, but this work will focus on internal variability of groundwater depth distribution and model parameterizations. We demonstrate the capability of this framework to make inferences on uncertain states of groundwater depth from limited in situ data, and how the realizations of these inferences affect the ecohydrological interactions between groundwater dynamics and vegetation function. We place an emphasis on the probabilistic representation of quantities of interest and how this impacts the understanding and interpretation of the dynamics at the groundwater-vegetation interface.

Impacts on groundwater recharge areas of megacity pumping: analysis of potential contamination of Kolkata, India, water supply

USGS Publications Warehouse

Sahu, Paulami; Michael, Holly A.; Voss, Clifford I.; Sikdar, Pradip K.

2013-01-01

Water supply to the world's megacities is a problem of quantity and quality that will be a priority in the coming decades. Heavy pumping of groundwater beneath these urban centres, particularly in regions with low natural topographic gradients, such as deltas and floodplains, can fundamentally alter the hydrological system. These changes affect recharge area locations, which may shift closer to the city centre than before development, thereby increasing the potential for contamination. Hydrogeological simulation analysis allows evaluation of the impact on past, present and future pumping for the region of Kolkata, India, on recharge area locations in an aquifer that supplies water to over 13 million people. Relocated recharge areas are compared with known surface contamination sources, with a focus on sustainable management of this urban groundwater resource. The study highlights the impacts of pumping on water sources for long-term development of stressed city aquifers and for future water supply in deltaic and floodplain regions of the world.

Roles of water in protein structure and function studied by molecular liquid theory.

PubMed

Imai, Takashi

2009-01-01

The roles of water in the structure and function of proteins have not been completely elucidated. Although molecular simulation has been widely used for the investigation of protein structure and function, it is not always useful for elucidating the roles of water because the effect of water ranges from atomic to thermodynamic level. The three-dimensional reference interaction site model (3D-RISM) theory, which is a statistical-mechanical theory of molecular liquids, can yield the solvation structure at the atomic level and calculate the thermodynamic quantities from the intermolecular potentials. In the last few years, the author and coworkers have succeeded in applying the 3D-RISM theory to protein aqueous solution systems and demonstrated that the theory is useful for investigating the roles of water. This article reviews some of the recent applications and findings, which are concerned with molecular recognition by protein, protein folding, and the partial molar volume of protein which is related to the pressure effect on protein.

Numerical Simulation of an Industrial Cumulus Affected by Heat, Moisture, and CCN Released from an Oil Refinery.

NASA Astrophysics Data System (ADS)

Guan, S.; Reuter, G. W.

1996-08-01

Large oil refineries emit heat, vapor, and cloud condensation nuclei (CCN), all of which can affect the formation of cloud and precipitation. This study quantities the relative contributions of the three factors on cloud development in calm wind conditions using an axisymmetric cloud model. The factor separation technique is applied to isolate the net contributions of waste heat, vapor, and CCN on the rainfall of a cumulus developing in the industrial plume. The mutual-interactive contributions of two or three of the factors are also computed.The simulations for midlatitude and tropical conditions indicate that the sensible heat provides the major stimulus for cloud development and rain formation. The pure contribution of the industrial CCN is to enhance the condensation, causing an increase in the mass of total cloud water. The simulation results indicate that mutual interactions between waste heat and industrial CCN are large for both cases considered.

Global climate impacts of stochastic deep convection parameterization in the NCAR CAM5

DOE PAGES

Wang, Yong; Zhang, Guang J.

2016-09-29

In this paper, the stochastic deep convection parameterization of Plant and Craig (PC) is implemented in the Community Atmospheric Model version 5 (CAM5) to incorporate the stochastic processes of convection into the Zhang-McFarlane (ZM) deterministic deep convective scheme. Its impacts on deep convection, shallow convection, large-scale precipitation and associated dynamic and thermodynamic fields are investigated. Results show that with the introduction of the PC stochastic parameterization, deep convection is decreased while shallow convection is enhanced. The decrease in deep convection is mainly caused by the stochastic process and the spatial averaging of input quantities for the PC scheme. More detrainedmore » liquid water associated with more shallow convection leads to significant increase in liquid water and ice water paths, which increases large-scale precipitation in tropical regions. Specific humidity, relative humidity, zonal wind in the tropics, and precipitable water are all improved. The simulation of shortwave cloud forcing (SWCF) is also improved. The PC stochastic parameterization decreases the global mean SWCF from -52.25 W/m 2 in the standard CAM5 to -48.86 W/m 2, close to -47.16 W/m 2 in observations. The improvement in SWCF over the tropics is due to decreased low cloud fraction simulated by the stochastic scheme. Sensitivity tests of tuning parameters are also performed to investigate the sensitivity of simulated climatology to uncertain parameters in the stochastic deep convection scheme.« less

Global climate impacts of stochastic deep convection parameterization in the NCAR CAM5

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

Wang, Yong; Zhang, Guang J.

In this paper, the stochastic deep convection parameterization of Plant and Craig (PC) is implemented in the Community Atmospheric Model version 5 (CAM5) to incorporate the stochastic processes of convection into the Zhang-McFarlane (ZM) deterministic deep convective scheme. Its impacts on deep convection, shallow convection, large-scale precipitation and associated dynamic and thermodynamic fields are investigated. Results show that with the introduction of the PC stochastic parameterization, deep convection is decreased while shallow convection is enhanced. The decrease in deep convection is mainly caused by the stochastic process and the spatial averaging of input quantities for the PC scheme. More detrainedmore » liquid water associated with more shallow convection leads to significant increase in liquid water and ice water paths, which increases large-scale precipitation in tropical regions. Specific humidity, relative humidity, zonal wind in the tropics, and precipitable water are all improved. The simulation of shortwave cloud forcing (SWCF) is also improved. The PC stochastic parameterization decreases the global mean SWCF from -52.25 W/m 2 in the standard CAM5 to -48.86 W/m 2, close to -47.16 W/m 2 in observations. The improvement in SWCF over the tropics is due to decreased low cloud fraction simulated by the stochastic scheme. Sensitivity tests of tuning parameters are also performed to investigate the sensitivity of simulated climatology to uncertain parameters in the stochastic deep convection scheme.« less

Evaluation of the groundwater-flow model for the Ohio River alluvial aquifer near Carrollton, Kentucky, updated to conditions in September 2010

USGS Publications Warehouse

Unthank, Michael D.

2013-01-01

The Ohio River alluvial aquifer near Carrollton, Ky., is an important water resource for the cities of Carrollton and Ghent, as well as for several industries in the area. The groundwater of the aquifer is the primary source of drinking water in the region and a highly valued natural resource that attracts various water-dependent industries because of its quantity and quality. This report evaluates the performance of a numerical model of the groundwater-flow system in the Ohio River alluvial aquifer near Carrollton, Ky., published by the U.S. Geological Survey in 1999. The original model simulated conditions in November 1995 and was updated to simulate groundwater conditions estimated for September 2010. The files from the calibrated steady-state model of November 1995 conditions were imported into MODFLOW-2005 to update the model to conditions in September 2010. The model input files modified as part of this update were the well and recharge files. The design of the updated model and other input files are the same as the original model. The ability of the updated model to match hydrologic conditions for September 2010 was evaluated by comparing water levels measured in wells to those computed by the model. Water-level measurements were available for 48 wells in September 2010. Overall, the updated model underestimated the water levels at 36 of the 48 measured wells. The average difference between measured water levels and model-computed water levels was 3.4 feet and the maximum difference was 10.9 feet. The root-mean-square error of the simulation was 4.45 for all 48 measured water levels. The updated steady-state model could be improved by introducing more accurate and site-specific estimates of selected field parameters, refined model geometry, and additional numerical methods. Collection of field data to better estimate hydraulic parameters, together with continued review of available data and information from area well operators, could provide the model with revised estimates of conductance values for the riverbed and valley wall, hydraulic conductivities for the model layer, and target water levels for future simulations. Additional model layers, a redesigned model grid, and revised boundary conditions could provide a better framework for more accurate simulations. Additional numerical methods would identify possible parameter estimates and determine parameter sensitivities.

Digital simulation of ground-water flow in the Warwick Aquifer, Fort Totten Indian Reservation, North Dakota

USGS Publications Warehouse

Reed, Thomas B.

1997-01-01

The demand for water from the Warwick aquifer, which underlies the Fort Totten Indian Reservation in northeastern North Dakota, has been increasing during recent years. Therefore, the Spirit Lake Sioux Nation is interested in resolving questions about the quantity and quality of water in the aquifer and in developing a water-management plan for future water use. A study was conducted to evaluate the surface-water and ground-water resources of the Fort Totten Indian Reservation and, in particular, the ground-water resources in the area of the Warwick aquifer. A major component of the study, addressed by this report, was to define the ground-water flow system of the aquifer. The Warwick aquifer consists of outwash deposits of the Warwick outwash plain that are as much as 30 feet thick and buried-valley deposits beneath the outwash plain that are as much as 200 feet thick. The aquifer is bounded on the north and west by end-moraine deposits and Devils Lake, on the south by the Sheyenne River Valley, and on the east by outwash deposits and ravines. The aquifer is underlain by Pierre Shale or by glacial till, clay, or silt. Ground-water gradients generally are small and rarely are more than 3 or 4 feet per mile. From 1982 to 1993, withdrawals from the Devils Lake well field averaged 1.5 cubic feet per second, and withdrawals from irrigation wells averaged 1.29 cubic feet per second. The combined discharge from springs may be about 3 cubic feet per second. During the early 1990s, the Warwick aquifer probably was in a steady-state condition with regard to storage change in the aquifer. A finite-difference, three-dimensional, ground-water flow model provided a reasonable simulation of ground-water flow in the Warwick aquifer. The aquifer was divided vertically into two layers and horizontally into a grid of 83 by 109 cells, each measuring 656 feet (200 meters) per side. The steady-state simulation was conducted using 1992 pumpage rates and October 1992 water levels. The mean absolute difference between simulated and derived water-level altitudes during final calibration of the model was 1.52 feet. The two transient simulations were conducted for 20 time intervals of 1 year each using both the small and large storage estimates, doubled 1992 pumpage from the Devils Lake well field, 1992 irrigation pumpage, and initial water-level altitudes simulated by the October 1992 steady-state simulation. In the simulation using the small storage estimate and doubled pumpage, model cells in the area of the well field went dry after 13 years.Assumptions made in the design of the model generally are supported by the digital simulation. Except in the area of Warwick Springs and smaller springs, lateral and basal boundaries of the aquifer are impermeable. The flow system is dominated by recharge and evapotranspiration. Recharge rates obtained during the calibration process were lower in topographically high areas than in topographically low areas. Hydraulic conductivity in the area of the Devils Lake well field was larger than that in the rest of the aquifer.

Future Availability of Water Supply from Karstic Springs under Probable Climate Change. The case of Aravissos, Central Macedonia, Greece.

NASA Astrophysics Data System (ADS)

Vafeiadis, M.; Spachos, Th.; Zampetoglou, K.; Soupilas, Th.

2012-04-01

The test site of Aravissos is located at 70 Km to the West (W-NW) of Thessaloniki at the south banks of mount Païko, in the north part of Central Macedonia The karstic Aravissos springs supply 40% of total volume needed for the water supply of Thessaloniki, Greece. As the water is of excellent quality, it is feed directly in the distribution network without any previous treatment. The availability of this source is therefore of high importance for the sustainable water supply of this area with almost 1000000 inhabitants. The water system of Aravissos is developed in a karstic limestone with an age of about Late Cretaceous that covers almost the entire western part of the big-anticline of Païko Mountain. The climate in this area and the water consumption area, Thessaloniki, is a typical Mediterranean climate with mild and humid winters and hot and dry summers. The total annual number of rainy days is around 110. The production of the Aravissos springs depends mostly from the annual precipitations. As the feeding catchement and the karst aquifer are not well defined, a practical empirical balance model, that contains only well known relevant terms, is applied for the simulation of the operation of the springs under normal water extraction for water supply in present time. The estimation of future weather conditions are based on GCM and RCM simulation data and the extension of trend lines of the actual data. The future evolution of the availability of adequate water quantities from the springs is finally estimated from the balance model and the simulated future climatic data. This study has been realised within the project CC-WaterS, funded by the SEE program of the European Regional Development Fund (http://www.ccwaters.eu/).

Changes in Phosphatidylcholine Headgroup Tilt and Water Order Induced by Monovalent Salts: Molecular Dynamics Simulations

PubMed Central

Sachs, Jonathan N.; Nanda, Hirsh; Petrache, Horia I.; Woolf, Thomas B.

2004-01-01

The association between monovalent salts and neutral lipid bilayers is known to influence global bilayer structural properties such as headgroup conformational fluctuations and the dipole potential. The local influence of the ions, however, has been unknown due to limited structural resolution of experimental methods. Molecular dynamics simulations are used here to elucidate local structural rearrangements upon association of a series of monovalent Na+ salts to a palmitoyl-oleoyl-phosphatidylcholine bilayer. We observe association of all ion types in the interfacial region. Larger anions, which are meant to rationalize data regarding a Hofmeister series of anions, bind more deeply within the bilayer than either Cl− or Na+. Although the simulations are able to reproduce experimentally measured quantities, the analysis is focused on local properties currently invisible to experiments, which may be critical to biological systems. As such, for all ion types, including Cl−, we show local ion-induced perturbations to headgroup tilt, the extent and direction of which is sensitive to ion charge and size. Additionally, we report salt-induced ordering of the water well beyond the interfacial region, which may be significant in terms of hydration repulsion between stacked bilayers. PMID:15189873

An index-based robust decision making framework for watershed management in a changing climate.

PubMed

Kim, Yeonjoo; Chung, Eun-Sung

2014-03-01

This study developed an index-based robust decision making framework for watershed management dealing with water quantity and quality issues in a changing climate. It consists of two parts of management alternative development and analysis. The first part for alternative development consists of six steps: 1) to understand the watershed components and process using HSPF model, 2) to identify the spatial vulnerability ranking using two indices: potential streamflow depletion (PSD) and potential water quality deterioration (PWQD), 3) to quantify the residents' preferences on water management demands and calculate the watershed evaluation index which is the weighted combinations of PSD and PWQD, 4) to set the quantitative targets for water quantity and quality, 5) to develop a list of feasible alternatives and 6) to eliminate the unacceptable alternatives. The second part for alternative analysis has three steps: 7) to analyze all selected alternatives with a hydrologic simulation model considering various climate change scenarios, 8) to quantify the alternative evaluation index including social and hydrologic criteria with utilizing multi-criteria decision analysis methods and 9) to prioritize all options based on a minimax regret strategy for robust decision. This framework considers the uncertainty inherent in climate models and climate change scenarios with utilizing the minimax regret strategy, a decision making strategy under deep uncertainty and thus this procedure derives the robust prioritization based on the multiple utilities of alternatives from various scenarios. In this study, the proposed procedure was applied to the Korean urban watershed, which has suffered from streamflow depletion and water quality deterioration. Our application shows that the framework provides a useful watershed management tool for incorporating quantitative and qualitative information into the evaluation of various policies with regard to water resource planning and management. Copyright © 2013 Elsevier B.V. All rights reserved.

Time-Dependent Density Functional Theory for Open Systems and Its Applications.

PubMed

Chen, Shuguang; Kwok, YanHo; Chen, GuanHua

2018-02-20

Photovoltaic devices, electrochemical cells, catalysis processes, light emitting diodes, scanning tunneling microscopes, molecular electronics, and related devices have one thing in common: open quantum systems where energy and matter are not conserved. Traditionally quantum chemistry is confined to isolated and closed systems, while quantum dissipation theory studies open quantum systems. The key quantity in quantum dissipation theory is the reduced system density matrix. As the reduced system density matrix is an O(M! × M!) matrix, where M is the number of the particles of the system of interest, quantum dissipation theory can only be employed to simulate systems of a few particles or degrees of freedom. It is thus important to combine quantum chemistry and quantum dissipation theory so that realistic open quantum systems can be simulated from first-principles. We have developed a first-principles method to simulate the dynamics of open electronic systems, the time-dependent density functional theory for open systems (TDDFT-OS). Instead of the reduced system density matrix, the key quantity is the reduced single-electron density matrix, which is an N × N matrix where N is the number of the atomic bases of the system of interest. As the dimension of the key quantity is drastically reduced, the TDDFT-OS can thus be used to simulate the dynamics of realistic open electronic systems and efficient numerical algorithms have been developed. As an application, we apply the method to study how quantum interference develops in a molecular transistor in time domain. We include electron-phonon interaction in our simulation and show that quantum interference in the given system is robust against nuclear vibration not only in the steady state but also in the transient dynamics. As another application, by combining TDDFT-OS with Ehrenfest dynamics, we study current-induced dissociation of water molecules under scanning tunneling microscopy and follow its time dependent dynamics. Given the rapid development in ultrafast experiments with atomic resolution in recent years, time dependent simulation of open electronic systems will be useful to gain insight and understanding of such experiments. This Account will mainly focus on the practical aspects of the TDDFT-OS method, describing the numerical implementation and demonstrating the method with applications.

The principle of ‘maximum energy dissipation’: a novel thermodynamic perspective on rapid water flow in connected soil structures

PubMed Central

Zehe, Erwin; Blume, Theresa; Blöschl, Günter

2010-01-01

Preferential flow in biological soil structures is of key importance for infiltration and soil water flow at a range of scales. In the present study, we treat soil water flow as a dissipative process in an open non-equilibrium thermodynamic system, to better understand this key process. We define the chemical potential and Helmholtz free energy based on soil physical quantities, parametrize a physically based hydrological model based on field data and simulate the evolution of Helmholtz free energy in a cohesive soil with different populations of worm burrows for a range of rainfall scenarios. The simulations suggest that flow in connected worm burrows allows a more efficient redistribution of water within the soil, which implies a more efficient dissipation of free energy/higher production of entropy. There is additional evidence that the spatial pattern of worm burrow density at the hillslope scale is a major control of energy dissipation. The pattern typically found in the study is more efficient in dissipating energy/producing entropy than other patterns. This is because upslope run-off accumulates and infiltrates via the worm burrows into the dry soil in the lower part of the hillslope, which results in an overall more efficient dissipation of free energy. PMID:20368256

How Do Our Actions Affect Water Quantity and Quality?

ERIC Educational Resources Information Center

Gordon, Jessica

2008-01-01

Water is an essential resource for all living things. How we live on our watershed can impact water quantity and quality. It is important to recognize how humans alter watershed dynamics, but students often find it challenging to visualize watershed processes and understand how decisions that they make as individuals and together as a community…

Developing a stochastic conflict resolution model for urban runoff quality management: Application of info-gap and bargaining theories

NASA Astrophysics Data System (ADS)

Ghodsi, Seyed Hamed; Kerachian, Reza; Estalaki, Siamak Malakpour; Nikoo, Mohammad Reza; Zahmatkesh, Zahra

2016-02-01

In this paper, two deterministic and stochastic multilateral, multi-issue, non-cooperative bargaining methodologies are proposed for urban runoff quality management. In the proposed methodologies, a calibrated Storm Water Management Model (SWMM) is used to simulate stormwater runoff quantity and quality for different urban stormwater runoff management scenarios, which have been defined considering several Low Impact Development (LID) techniques. In the deterministic methodology, the best management scenario, representing location and area of LID controls, is identified using the bargaining model. In the stochastic methodology, uncertainties of some key parameters of SWMM are analyzed using the info-gap theory. For each water quality management scenario, robustness and opportuneness criteria are determined based on utility functions of different stakeholders. Then, to find the best solution, the bargaining model is performed considering a combination of robustness and opportuneness criteria for each scenario based on utility function of each stakeholder. The results of applying the proposed methodology in the Velenjak urban watershed located in the northeastern part of Tehran, the capital city of Iran, illustrate its practical utility for conflict resolution in urban water quantity and quality management. It is shown that the solution obtained using the deterministic model cannot outperform the result of the stochastic model considering the robustness and opportuneness criteria. Therefore, it can be concluded that the stochastic model, which incorporates the main uncertainties, could provide more reliable results.

Reactivity of Triplet Excited States of Dissolved Natural Organic Matter in Stormflow from Mixed-Use Watersheds.

PubMed

McCabe, Andrew J; Arnold, William A

2017-09-05

Dissolved organic matter (DOM) quantity and composition control the rate of formation (R f,T ) of triplet excited states of dissolved natural organic matter ( 3 DOM*) and the efficiency of 3 DOM* formation (the apparent quantum yield, AQY T ). Here, the reactivity of 3 DOM* in stormflow samples collected from watersheds with variable land covers is examined. Stormflow DOM reflects variability in DOM quantity and composition as a function of land cover and may be important in controlling the fate of cotransported pollutants. R f,T and AQY T were measured using 2,4,6-trimethylphenol in stormflow samples under simulated sunlight. The DOM source and composition was characterized using absorbance and fluorescence spectroscopies and high-resolution mass spectrometry. R f,T and the total rate of light absorption by the water samples (R a ) increased with the dissolved organic carbon (DOC) concentration. AQY T was independent of DOC concentration, but varied with DOM source: developed land cover (4-6%) ≈ open water > vegetated land cover (3%). AQY T was positively related to an index for microbial/algal DOM content and negatively related to DOM molecular weight, DOM aromaticity, and the content of polyphenols. This work demonstrates that TMP is an effective probe for the determination of R f,T and AQY T in whole water samples after accounting for the inhibition of TMP photodegradation by DOM.

Light water detritiation

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

Fedorchenko, O.A.; Aleksee, I.A.; Bondarenko, S.D.

2015-03-15

Hundreds of thousands of tons of tritiated light water have been accumulating from the enterprises of nuclear fuel cycles around the world. The Dual-Temperature Water-Hydrogen (DTWH) process looks like the only practical alternative to Combined Electrolysis and Catalytic Exchange (CECE). In DTWH power-consuming lower reflux device (electrolytic cell) is replaced by a so-called 'hot tower' (LPCE column operating at conditions which ensure relatively small value of elementary separation factor α(hot)). In the upper, cold tower, the tritium transfers from hydrogen to water while in the lower, hot tower - in the opposite direction - from water to hydrogen. The DTWHmore » process is much more complicated compared to CECE; it must be thoroughly computed and strictly controlled by an automatic control system. The use of a simulation code for DTWH is absolutely important. The simulation code EVIO-5 deals with 3 flows inside a column (hydrogen gas, water vapour and liquid water) and 2 simultaneous isotope exchange sub-processes (counter-current phase exchange and co-current catalytic exchange). EVIO-5 takes into account the strong dependence of process performance on given conditions (temperature and pressure). It calculates steady-state isotope concentration profiles considering a full set of reversible exchange reactions between different isotope modifications of water and hydrogen (12 molecular species). So the code can be used for simulation of LPCE column operation for detritiation of hydrogen and water feed, which contains H and D not only at low concentrations but above 10 at.% also. EVIO-5 code is used to model a Tritium Removal Facility with a throughput capacity of about 400 m{sup 3}/day. Simulation results show that a huge amount of wet-proofed catalyst is required (about 6000 m{sup 3}), mainly (90%) in the first stage. One reason for these large expenses (apart from a big scale of the problem itself) is the relatively high tritium separation factor in the hot tower. The introduction of some quantity of deuterium into the gaseous flow before the hot tower lowers the tritium separation factor in that column. One possible variant of deuterium introduction to the hot tower of the first stage was modelled. The decontamination capacity increases by a 2.5 factor.« less

Absolute proton hydration free energy, surface potential of water, and redox potential of the hydrogen electrode from first principles: QM/MM MD free-energy simulations of sodium and potassium hydration.

PubMed

Hofer, Thomas S; Hünenberger, Philippe H

2018-06-14

The absolute intrinsic hydration free energy G H + ,wat ◦ of the proton, the surface electric potential jump χ wat ◦ upon entering bulk water, and the absolute redox potential V H + ,wat ◦ of the reference hydrogen electrode are cornerstone quantities for formulating single-ion thermodynamics on absolute scales. They can be easily calculated from each other but remain fundamentally elusive, i.e., they cannot be determined experimentally without invoking some extra-thermodynamic assumption (ETA). The Born model provides a natural framework to formulate such an assumption (Born ETA), as it automatically factors out the contribution of crossing the water surface from the hydration free energy. However, this model describes the short-range solvation inaccurately and relies on the choice of arbitrary ion-size parameters. In the present study, both shortcomings are alleviated by performing first-principle calculations of the hydration free energies of the sodium (Na + ) and potassium (K + ) ions. The calculations rely on thermodynamic integration based on quantum-mechanical molecular-mechanical (QM/MM) molecular dynamics (MD) simulations involving the ion and 2000 water molecules. The ion and its first hydration shell are described using a correlated ab initio method, namely resolution-of-identity second-order Møller-Plesset perturbation (RIMP2). The next hydration shells are described using the extended simple point charge water model (SPC/E). The hydration free energy is first calculated at the MM level and subsequently increased by a quantization term accounting for the transformation to a QM/MM description. It is also corrected for finite-size, approximate-electrostatics, and potential-summation errors, as well as standard-state definition. These computationally intensive simulations provide accurate first-principle estimates for G H + ,wat ◦ , χ wat ◦ , and V H + ,wat ◦ , reported with statistical errors based on a confidence interval of 99%. The values obtained from the independent Na + and K + simulations are in excellent agreement. In particular, the difference between the two hydration free energies, which is not an elusive quantity, is 73.9 ± 5.4 kJ mol -1 (K + minus Na + ), to be compared with the experimental value of 71.7 ± 2.8 kJ mol -1 . The calculated values of G H + ,wat ◦ , χ wat ◦ , and V H + ,wat ◦ (-1096.7 ± 6.1 kJ mol -1 , 0.10 ± 0.10 V, and 4.32 ± 0.06 V, respectively, averaging over the two ions) are also in remarkable agreement with the values recommended by Reif and Hünenberger based on a thorough analysis of the experimental literature (-1100 ± 5 kJ mol -1 , 0.13 ± 0.10 V, and 4.28 ± 0.13 V, respectively). The QM/MM MD simulations are also shown to provide an accurate description of the hydration structure, dynamics, and energetics.

Production Planning and Simulation for Reverse Supply Chain

NASA Astrophysics Data System (ADS)

Murayama, Takeshi; Yoda, Mitsunobu; Eguchi, Toru; Oba, Fuminori

This paper describes a production planning method for a reverse supply chain, in which a disassembly company takes reusable components from returned used products and supplies the reusable components for a product manufacturer. This method addresses the issue that the timings and quantities of returned products and reusable components obtained from them are unknown. This method first predicts the quantities of returned products and reusable components at each time period by using reliability models. Using the prediction result, the method performs production planning based on Material Requirements Planning (MRP). This method enables us to plan at each time period: the quantity of the products to be disassembled; the quantity of the reusable components to be used; and the quantity of the new components to be produced. The flow of the components and products through a forward and reverse supply chain is simulated to show the effectiveness of the method.

Hydrogeology and simulation of ground-water flow and land-surface subsidence in the northern part of the Gulf Coast aquifer system, Texas

USGS Publications Warehouse

Kasmarek, Mark C.; Robinson, James L.

2004-01-01

As a part of the Texas Water Development Board Ground- Water Availability Modeling program, the U.S. Geological Survey developed and tested a numerical finite-difference (MODFLOW) model to simulate ground-water flow and land-surface subsidence in the northern part of the Gulf Coast aquifer system in Texas from predevelopment (before 1891) through 2000. The model is intended to be a tool that water-resource managers can use to address future ground-water-availability issues.From land surface downward, the Chicot aquifer, the Evangeline aquifer, the Burkeville confining unit, the Jasper aquifer, and the Catahoula confining unit are the hydrogeologic units of the Gulf Coast aquifer system. Withdrawals of large quantities of ground water have resulted in potentiometric surface (head) declines in the Chicot, Evangeline, and Jasper aquifers and land-surface subsidence (primarily in the Houston area) from depressurization and compaction of clay layers interbedded in the aquifer sediments. In a generalized conceptual model of the aquifer system, water enters the ground-waterflow system in topographically high outcrops of the hydrogeologic units in the northwestern part of the approximately 25,000-square-mile model area. Water that does not discharge to streams flows to intermediate and deep zones of the system southeastward of the outcrop areas where it is discharged by wells and by upward leakage in topographically low areas near the coast. The uppermost parts of the aquifer system, which include outcrop areas, are under water-table conditions. As depth increases in the aquifer system and as interbedded sand and clay accumulate, water-table conditions evolve into confined conditions.The model comprises four layers, one for each of the hydrogeologic units of the aquifer system except the Catahoula confining unit, the assumed no-flow base of the system. Each layer consists of 137 rows and 245 columns of uniformly spaced grid blocks, each block representing 1 square mile. Lateral no-flow boundaries were located on the basis of outcrop extent (northwestern), major streams (southwestern, northeastern), and downdip limit of freshwater (southeastern). The MODFLOW general-head boundary package was used to simulate recharge and discharge in the outcrops of the hydrogeologic units. Simulation of land-surface subsidence (actually, compaction of clays) and release of water from storage in the clays of the Chicot and Evangeline aquifers was accomplished using the Interbed-Storage Package designed for use with the MODFLOW model. The model was calibrated by trial-anderror adjustment of selected model input data in a series of transient simulations until the model output (potentiometric surfaces, land-surface subsidence, and selected water-budget components) reasonably reproduced field measured (or estimated) aquifer responses.Model calibration comprised four elements: The first was qualitative comparison of simulated and measured heads in the aquifers for 1977 and 2000; and quantitative comparison by computation and areal distribution of the root-mean-square error between simulated and measured heads. The second calibration element was comparison of simulated and measured hydrographs from wells in the aquifers in a number of counties throughout the modeled area. The third calibration element was comparison of simulated water-budget componentsprimarily recharge and dischargeto estimates of physically reasonable ranges of actual water-budget components. The fourth calibration element was comparison of simulated land-surface subsidence from predevelopment to 2000 to measured land surface subsidence from 1906 through 1995.

Effects of Land-use/Land-cover and Climate Changes on Water Quantity and Quality in Sub-basins near Major US Cities in the Great Lakes Region

NASA Astrophysics Data System (ADS)

Murphy, L.; Al-Hamdan, M. Z.; Crosson, W. L.; Barik, M.

2017-12-01

Land-cover change over time to urbanized, less permeable surfaces, leads to reduced water infiltration at the location of water input while simultaneously transporting sediments, nutrients and contaminants farther downstream. With an abundance of agricultural fields bordering the greater urban areas of Milwaukee, Detroit, and Chicago, water and nutrient transport is vital to the farming industry, wetlands, and communities that rely on water availability. Two USGS stream gages each located within a sub-basin near each of these Great Lakes Region cities were examined, one with primarily urban land-cover between 1992 and 2011, and one with primarily agriculture land-cover. ArcSWAT, a watershed model and soil and water assessment tool used in extension with ArcGIS, was used to develop hydrologic models that vary the land-covers to simulate surface runoff during a model run period from 2004 to 2008. Model inputs that include a digital elevation model (DEM), Landsat-derived land-use/land-cover (LULC) satellite images from 1992, 2001, and 2011, soil classification, and meteorological data were used to determine the effect of different land-covers on the water runoff, nutrients and sediments. The models were then calibrated and validated to USGS stream gage data measurements over time. Additionally, the watershed model was run based on meteorological data from an IPCC CMIP5 high emissions climate change scenario for 2050. Model outputs from the different LCLU scenarios were statistically evaluated and results showed that water runoff, nutrients and sediments were impacted by LULC change in four out of the six sub-basins. In the 2050 climate scenario, only one out of the six sub-basin's water quantity and quality was affected. These results contribute to the importance of developing hydrologic models as the dependence on the Great Lakes as a freshwater resource competes with the expansion of urbanization leading to the movement of runoff, nutrients, and sediments off the land.

Skill of ship-following large-eddy simulations in reproducing MAGIC observations across the northeast Pacific stratocumulus to cumulus transition region

NASA Astrophysics Data System (ADS)

McGibbon, J.; Bretherton, C. S.

2017-06-01

During the Marine ARM GPCI Investigation of Clouds (MAGIC) in October 2011 to September 2012, a container ship making periodic cruises between Los Angeles, CA, and Honolulu, HI, was instrumented with surface meteorological, aerosol and radiation instruments, a cloud radar and ceilometer, and radiosondes. Here large-eddy simulation (LES) is performed in a ship-following frame of reference for 13 four day transects from the MAGIC field campaign. The goal is to assess if LES can skillfully simulate the broad range of observed cloud characteristics and boundary layer structure across the subtropical stratocumulus to cumulus transition region sampled during different seasons and meteorological conditions. Results from Leg 15A, which sampled a particularly well-defined stratocumulus to cumulus transition, demonstrate the approach. The LES reproduces the observed timing of decoupling and transition from stratocumulus to cumulus and matches the observed evolution of boundary layer structure, cloud fraction, liquid water path, and precipitation statistics remarkably well. Considering the simulations of all 13 cruises, the LES skillfully simulates the mean diurnal variation of key measured quantities, including liquid water path (LWP), cloud fraction, measures of decoupling, and cloud radar-derived precipitation. The daily mean quantities are well represented, and daily mean LWP and cloud fraction show the expected correlation with estimated inversion strength. There is a -0.6 K low bias in LES near-surface air temperature that results in a high bias of 5.6 W m-2 in sensible heat flux (SHF). Overall, these results build confidence in the ability of LES to represent the northeast Pacific stratocumulus to trade cumulus transition region.