Science.gov

Sample records for air-surface exchange model

  1. Improved Formulations for Air-Surface Exchanges Related to National Security Needs: Dry Deposition Models

    SciTech Connect

    Droppo, James G.

    2006-07-01

    The Department of Homeland Security and others rely on results from atmospheric dispersion models for threat evaluation, event management, and post-event analyses. The ability to simulate dry deposition rates is a crucial part of our emergency preparedness capabilities. Deposited materials pose potential hazards from radioactive shine, inhalation, and ingestion pathways. A reliable characterization of these potential exposures is critical for management and mitigation of these hazards. A review of the current status of dry deposition formulations used in these atmospheric dispersion models was conducted. The formulations for dry deposition of particulate materials from am event such as a radiological attack involving a Radiological Detonation Device (RDD) is considered. The results of this effort are applicable to current emergency preparedness capabilities such as are deployed in the Interagency Modeling and Atmospheric Assessment Center (IMAAC), other similar national/regional emergency response systems, and standalone emergency response models. The review concludes that dry deposition formulations need to consider the full range of particle sizes including: 1) the accumulation mode range (0.1 to 1 micron diameter) and its minimum in deposition velocity, 2) smaller particles (less than .01 micron diameter) deposited mainly by molecular diffusion, 3) 10 to 50 micron diameter particles deposited mainly by impaction and gravitational settling, and 4) larger particles (greater than 100 micron diameter) deposited mainly by gravitational settling. The effects of the local turbulence intensity, particle characteristics, and surface element properties must also be addressed in the formulations. Specific areas for improvements in the dry deposition formulations are 1) capability of simulating near-field dry deposition patterns, 2) capability of addressing the full range of potential particle properties, 3) incorporation of particle surface retention/rebound processes, and

  2. Model-measurement comparison of ammonia bi-directional air-surface exchange fluxes over agricultural fields

    EPA Science Inventory

    Modeling of the bi-directional fluxes (BDFs) of ammonia (NH3) over fertilized soybean and corn canopies was evaluated for three intensive sampling periods: the first, during the summer of 2002 in Warsaw, North Carolina (NC), USA; and the second and third during the summer of 2007...

  3. Processes of Ammonia Air-Surface Exchange in a Fertilized Zea Mays Canopy

    EPA Science Inventory

    Recent incorporation of coupled soil biogeochemical and bi-directional NH3 air-surface exchange algorithms into regional air quality models holds promise for further reducing uncertainty in estimates of NH3 emissions from fertilized soils. While this advancement represents a sig...

  4. Dry air-surface exchange in hilly terrain

    SciTech Connect

    Gao, W.; Wesely, M.L.; Cook, D.R.; Hart, R.L.

    1991-01-01

    Surface fluxes of sensible heat, water vapor, carbon dioxide, ozone, and momentum were measured by using the eddy correlation method near the top of a small hill within the Konza Prairie in Kansas during the four 1987 Intensive Field Campaigns of the First ISLSCP Field Experiment (FIFE). Parameterizations of dry air-surface exchange in nonuniform terrain were examined. Larger drag coefficients, larger surface roughness lengths, and smaller aerodynamic resistances appeared to be associated with the deeper, rolling terrain upwind. Surface resistances were less affected by terrain inhomogeneities but were closely related to levels of photosynthetically active radiation. Normalized standard deviations of temperature, humidity, and vertical velocity are slightly different from values predicted by similarity relationships for uniform surfaces. The influences of these differences on fluxes estimated by use of a variance technique are relatively small as compared to the data scatter; computed variance fluxes are statistically in good agreement with eddy correlation fluxes. 11 refs., 7 figs.

  5. Description and Initial Simulation of a Dynamic Bidirectional Air-Surface Exchange Model for Mercury in Community Multiscale Air Quality Model

    EPA Science Inventory

    Emissions of elemental mercury (Hg0) from natural processes are believed to be as large as anthropogenic mercury emissions and are a critical source required to model the transport and fate of mercury. Recent ecosystem scale measurements indicate that a fraction of rec...

  6. Air-surface exchange of polybrominated diphenyl ethers and polychlorinated biphenyls.

    PubMed

    Gouin, T; Thomas, G O; Cousins, I; Barber, J; Mackay, D; Jones, K C

    2002-04-01

    Air and leaf-litter samples were collected from a rural site in southern Ontario under meteorologically stable conditions in the early spring, prior to bud burst, over a three-day period to measure the simultaneous diurnal variations in polybrominated diphenyl ethers (PBDEs) and polychlorinated biphenyls (PCBs). PBDEs are used in a wide range of commercial products as flame retardants and are being assessed internationally as potential persistent organic pollutants. Total PBDE concentrations in the air ranged between 88 and 1250 pg m(-3), and were dominated primarily by the lighter congeners PBDEs 17, 28, and 47, and concentrations of total PCBs ranged between 96 and 950 pg m(-3), and were dominated by the lower chlorinated (tri- to tetra-) congeners. Slopes of Clausius-Clapeyron plots indicate that both PCBs and PBDEs are experiencing active air-surface exchange. Fugacities were estimated from concentrations in the air and leaf-litter and suggest near equilibrium conditions. Following the three-day intensive sampling period, 40 air samples were collected at 24-hour intervals in an attempt to evaluate the effect of bud burst on atmospheric concentrations. Total PBDE concentrations in the daily air samples ranged between 10 and 230 pg m(-3), and were dominated by the lighter congeners PBDE 17, 28, and 47, whereas concentrations of total PCBs ranged between 30 and 450 pg m(-3) during this period. It is hypothesized thatthe high PBDE concentrations observed at the beginning of the sampling period are the result of an "early spring pulse" in which PBDEs deposited in the snowpack over the winter are released with snowmelt, resulting in elevated concentrations in the surface and air. Later in the sampling period, following bud burst, PBDE concentrations in air fell to 10 to 20 pg m(-3), possibly due to the high sorption capacity of this freshly emerging foliage compartment.

  7. Mercury emission from terrestrial background surfaces in the eastern USA. Part I: Air/surface exchange of mercury within a southeastern deciduous forest (Tennessee) over one year

    SciTech Connect

    Kuiken, Todd; Zhang, Hong; Gustin, Mae S.; Lindberg, Steven Eric

    2008-03-01

    This study focused on the development of a seasonal data set of the Hg air/surface exchange over soils associated with low Hg containing surfaces in a deciduous forest in the southern USA. Data were collected every month for 11 months in 2004 within Standing Stone State Forest in Tennessee using the dynamic flux chamber method. Mercury air/surface exchange associated with the litter covered forest floor was very low with the annual mean daytime flux being 0.4 0.5 ng m-2 h-1 (n = 301). The daytime Hg air/surface exchange over the year oscillated between emission (81% of samples with positive flux) and deposition (19% of samples with negative flux). A seasonal trend of lower emission in the spring and summer (closed canopy) relative to the fall and winter (open canopy) was observed. Correlations were found between the air/surface exchange and certain environmental factors on specific days sampled but not collectively over the entire year. The very low magnitude of Hg air/surface exchange as observed in this study suggests that an improved methodology for determining and reporting emission fluxes is needed when the values of fluxes and chamber blanks are both very low and comparable. This study raises questions and points to a need for more research regarding how to scale the Hg air/surface exchange for surfaces with very low emissions.

  8. Emission characteristics and air-surface exchange of gaseous mercury at the largest active landfill in Asia

    NASA Astrophysics Data System (ADS)

    Zhu, Wei; Li, Zhonggen; Chai, Xiaoli; Hao, Yongxia; Lin, Che-Jen; Sommar, Jonas; Feng, Xinbin

    2013-11-01

    The emission characteristics and air-surface exchange of gaseous elemental mercury (GEM) at Laogang landfill in Shanghai, China, the largest active landfill in Asia, has been investigated during two intensive field campaigns in 2011 and 2012. The mercury (Hg) content in municipal solid waste (MSW) varied widely from 0.19 to 1.68 mg kg-1. Over the closed cell in the landfill, the mean ambient air GEM concentration was virtually indistinguishable from the hemispherical background level (1.5-2.0 ng m-3) while the concentration downwind of ongoing landfill operation (e.g. dumping, burying and compacting of MSW) was clearly elevated. GEM emission through landfill gas (LFG) was identified as a significant source. GEM concentrations in LFGs collected from venting pipes installed in different landfill cells varied widely from 3.0 to 1127.8 ng m-3. The GEM concentrations were found negatively correlated to the age of LFG cells, suggesting GEM released through LFG declined readily with time. The GEM emission from this source alone was estimated to be 1.23-1.73 mg h-1. GEM emission from cover soil surfaces was considerably lower and at a scale comparable to that of background soil surfaces. This is in contrast to earlier reports showing enhanced GEM emissions from landfill surfaces in Southern China, probably due to the difference in soil Hg content and gas permeability characteristics of soils at different sites. Vertical concentration profiles of GEM in the interstitial gas of buried MSW were sampled, perhaps for the first time, which exhibited a wide spatial variability (4.9-713.1 ng m-3) in the 3-year-old landfill cell investigated. GEM emission from landfill operation was estimated to be 290-525 mg h-1 using a box model. This suggests that GEM degassing from Laogang landfill is quantitatively largely dominated by emissions from daily landfilling operations with a much smaller contribution from LFG venting and insignificant (bi-directional fluxes near zero) contribution

  9. Short-term temperature-dependent air-surface exchange and atmospheric concentrations of polychlorinated naphthalenes and organochlorine pesticides

    SciTech Connect

    Lee, R.G.M.; Burnett, V.; Harner, T.; Jones, K.C.

    2000-02-01

    Atmospheric concentrations of five organochlorine (OC) pesticides, some of which have been banned for a number of years, and polychlorinated naphthalenes (PCNs) were measured at a U.K. site over periods of 6 h for 7 days resulting in 28 samples. Mean concentrations of the pesticides were {alpha}-HCH 90 pg m{sup {minus}3}, {gamma}-HCH 500, {rho},{rho}{prime}-DDE 8, dieldrin 63, endrin 22, and HCB 39. PCN mean homologue concentrations were {sub 3}CNs 67 pg m{sup {minus}3}, {sub 4}CNs 78, {sub 5}CNs 5, {sub 6}CNs 0.6, {sub 7}CNs 0.6, and {Sigma}PCNs 152. TEQ concentrations for those PCNs ascribed TEF values ranged between 0.36 and 3.6 fg m{sup {minus}3} which corresponds to {approximately}3.0--30% of the TEQ concentrations of PCDD/Fs at the same site. All the compounds measured, except HCB, exhibited a strong temperature-dependent diurnal cycling. Results from Clausius-Clapeyron plots show that pesticide concentrations were controlled by temperature-driven air-surface recycling throughout the first 5 days when stable atmospheric conditions were dominant, while during the last 2 days advection became more influential as more unstable and cooler weather started to influence the site. PCN concentrations were controlled primarily by a mixture of recycling and advection throughout the first 5 days and then by advection in the final 2 days, suggesting that there are ongoing emissions from diffuse point sources of PCNs into the U.K. atmosphere. This study provides further evidence of the rapid air-surface exchange of semivolatile organic compounds (SOCs) and shows how different factors alone or in combination can produce rapid changes in the atmospheric concentrations of past and present SOCs.

  10. Mercury vapor air-surface exchange measured by collocated micrometeorological and enclosure methods - Part II: Bias and uncertainty analysis

    NASA Astrophysics Data System (ADS)

    Zhu, W.; Sommar, J.; Lin, C.-J.; Feng, X.

    2015-05-01

    Dynamic flux chambers (DFCs) and micrometeorological (MM) methods are extensively deployed for gauging air-surface Hg0 gas exchange. However, a systematic evaluation of the precision of the contemporary Hg0 flux quantification methods is not available. In this study, the uncertainty in Hg0 flux measured by the relaxed eddy accumulation (REA) method, the aerodynamic gradient method (AGM), the modified Bowen ratio (MBR) method, as well as DFC of traditional (TDFC) and novel (NDFC) designs, are assessed using a robust data set from two field intercomparison campaigns. The absolute precision in Hg0 concentration difference (ΔC) measurements is estimated at 0.064 ng m-3 for the gradient-based MBR and AGM systems. For the REA system, the parameter is Hg0 concentration (C) dependent at 0.069 + 0.022C. During the campaigns, 57 and 62 % of the individual vertical gradient measurements are found to be significantly different from 0, while for the REA technique, the percentage of significant observations is lower. For the chambers, non-significant fluxes are confined to a few night-time periods with varying ambient Hg0 concentrations. Relative bias for DFC-derived fluxes is estimated to be ~ ±10, and ~ 85% of the flux bias is within ±2 ng m-2 h-1 in absolute terms. The DFC flux bias follows a diurnal cycle, which is largely affected by the forced temperature and irradiation bias in the chambers. Due to contrasting prevailing micrometeorological conditions, the relative uncertainty (median) in turbulent exchange parameters differs by nearly a factor of 2 between the campaigns, while that in ΔC measurement is fairly consistent. The estimated flux uncertainties for the triad of MM techniques are 16-27, 12-23 and 19-31% (interquartile range) for the AGM, MBR and REA methods, respectively. This study indicates that flux-gradient-based techniques (MBR and AGM) are preferable to REA in quantifying Hg0 flux over ecosystems with low vegetation height. A limitation of all Hg0 flux

  11. Mercury vapor air-surface exchange measured by collocated micrometeorological and enclosure methods - Part II: Bias and uncertainty analysis

    NASA Astrophysics Data System (ADS)

    Zhu, W.; Sommar, J.; Lin, C.-J.; Feng, X.

    2015-02-01

    Dynamic flux chambers (DFCs) and micrometeorological (MM) methods are extensively deployed for gauging air-surface Hg0 gas exchange. However, a systematic evaluation of the precision of the contemporary Hg0 flux quantification methods is not available. In this study, the uncertainty in Hg0 flux measured by relaxed eddy accumulation (REA) method, aerodynamic gradient method (AGM), modified Bowen-ratio (MBR) method, as well as DFC of traditional (TDFC) and novel (NDFC) designs is assessed using a robust data-set from two field intercomparison campaigns. The absolute precision in Hg0 concentration difference (Δ C) measurements is estimated at 0.064 ng m-3 for the gradient-based MBR and AGM system. For the REA system, the parameter is Hg0 concentration (C) dependent at 0.069+0.022C. 57 and 62% of the individual vertical gradient measurements were found to be significantly different from zero during the campaigns, while for the REA-technique the percentage of significant observations was lower. For the chambers, non-significant fluxes are confined to a few nighttime periods with varying ambient Hg0 concentration. Relative bias for DFC-derived fluxes is estimated to be ~ ±10%, and ~ 85% of the flux bias are within ±2 ng m-2 h-1 in absolute term. The DFC flux bias follows a diurnal cycle, which is largely dictated by temperature controls on the enclosed volume. Due to contrasting prevailing micrometeorological conditions, the relative uncertainty (median) in turbulent exchange parameters differs by nearly a factor of two between the campaigns, while that in Δ C measurements is fairly stable. The estimated flux uncertainties for the triad of MM-techniques are 16-27, 12-23 and 19-31% (interquartile range) for the AGM, MBR and REA method, respectively. This study indicates that flux-gradient based techniques (MBR and AGM) are preferable to REA in quantifying Hg0 flux over ecosystems with low vegetation height. A limitation of all Hg0 flux measurement systems investigated

  12. Regression analysis in modeling of air surface temperature and factors affecting its value in Peninsular Malaysia

    NASA Astrophysics Data System (ADS)

    Rajab, Jasim Mohammed; Jafri, Mohd. Zubir Mat; Lim, Hwee San; Abdullah, Khiruddin

    2012-10-01

    This study encompasses air surface temperature (AST) modeling in the lower atmosphere. Data of four atmosphere pollutant gases (CO, O3, CH4, and H2O) dataset, retrieved from the National Aeronautics and Space Administration Atmospheric Infrared Sounder (AIRS), from 2003 to 2008 was employed to develop a model to predict AST value in the Malaysian peninsula using the multiple regression method. For the entire period, the pollutants were highly correlated (R=0.821) with predicted AST. Comparisons among five stations in 2009 showed close agreement between the predicted AST and the observed AST from AIRS, especially in the southwest monsoon (SWM) season, within 1.3 K, and for in situ data, within 1 to 2 K. The validation results of AST with AST from AIRS showed high correlation coefficient (R=0.845 to 0.918), indicating the model's efficiency and accuracy. Statistical analysis in terms of β showed that H2O (0.565 to 1.746) tended to contribute significantly to high AST values during the northeast monsoon season. Generally, these results clearly indicate the advantage of using the satellite AIRS data and a correlation analysis study to investigate the impact of atmospheric greenhouse gases on AST over the Malaysian peninsula. A model was developed that is capable of retrieving the Malaysian peninsulan AST in all weather conditions, with total uncertainties ranging between 1 and 2 K.

  13. Air-surface exchange of H2O, CO2, and O3 at a tallgrass prairie in relation to remotely sensed vegetation indices

    NASA Technical Reports Server (NTRS)

    Gao, W.; Wesely, M. L.; Cook, D. R.; Hart, R. L.

    1992-01-01

    Parameters derived from eddy correlation measurements of the air-surface exchange rates of H2O, CO2, and O3 over a tallgrass prairie are examined in terms of their relationships with spectral reflectance data remotely sensed from aircraft and satellites during the four 1987 intensive field campaigns of the First ISLSCP Field Experiment (FIFE). The surface conductances were strongly modulated by photosynthetically active radiation received at the surface when the grass was green and well watered; mesophyll resistances were large for CO2 but negligible for H2O and O3.

  14. TRANSPORT, AIR-SURFACE EXCHANGE AND LANDSCAPE ACCUMULATION OF AIRBORNE POLLUTANTS DEPOSITED ONTO RURAL CATCHMENTS: THE CASE OF MERCURY

    EPA Science Inventory

    This paper presents a modeling analysis of airborne mercury fate in rural catchments by coupling components of simulation models developed and published previously by the authors. Results for individual rural catchments are presented and discussed, with a focus on the major mercu...

  15. Measurement and scaling of air-surface mercury exchange from substrates in the vicinity of two Nevada gold mines.

    PubMed

    Miller, Matthieu B; Gustin, Mae S; Eckley, Chris S

    2011-09-01

    The state of Nevada has extensive mineral resources, and is the largest producer of gold in the USA as well as fourth in world gold production. Mercury (Hg) is often present in the hydrothermal systems that produce gold deposits, and can be found in elevated concentrations in gold ore. As a result, mining of gold ore in Nevada has been shown to release Hg to the atmosphere from point and non-point sources. This project focused on measurement of air-soil Hg exchange associated with undisturbed soils and bedrock outcrops in the vicinity of two large gold mines. Field and laboratory data collected were used to identify the important variables controlling Hg flux from these surfaces, and to estimate a net flux from the areas adjacent to the active mines as well as that occurring from the mined area pre-disturbance. Mean daily flux by substrate type ranged from 9 ng m(-2) day(-1) to 140 ng m(-2) day(-1). Periods of net deposition of elemental Hg were observed when air masses originating from a mine site moved over sampling locations. Based on these observations and measured soil Hg concentrations we suggest that emissions from point and non-point sources at the mines are a source of Hg to the surrounding substrates with the amount deposited not being of an environmental concern but of interest mainly with respect to the cycling of atmospheric elemental Hg. Observations indicate that while some component of the deposited Hg is sequestered in the soil, this Hg is gradually released back to the atmosphere over time. Estimated pre-disturbance emissions from the current mine footprints based on field data were 0.1 and 1.7 kg yr(-1), compared to that estimated for the current non-point mining sources of 19 and 109 kg yr(-1), respectively.

  16. Mercury vapor air-surface exchange measured by collocated micrometeorological and enclosure methods - Part I: Data comparability and method characteristics

    NASA Astrophysics Data System (ADS)

    Zhu, W.; Sommar, J.; Lin, C.-J.; Feng, X.

    2015-01-01

    Reliable quantification of air-biosphere exchange flux of elemental mercury vapor (Hg0) is crucial for understanding the global biogeochemical cycle of mercury. However, there has not been a standard analytical protocol for flux quantification, and little attention has been devoted to characterize the temporal variability and comparability of fluxes measured by different methods. In this study, we deployed a collocated set of micrometeorological (MM) and dynamic flux chamber (DFC) measurement systems to quantify Hg0 flux over bare soil and low standing crop in an agricultural field. The techniques include relaxed eddy accumulation (REA), modified Bowen ratio (MBR), aerodynamic gradient (AGM) as well as dynamic flux chambers of traditional (TDFC) and novel (NDFC) designs. The five systems and their measured fluxes were cross-examined with respect to magnitude, temporal trend and correlation with environmental variables. Fluxes measured by the MM and DFC methods showed distinct temporal trends. The former exhibited a highly dynamic temporal variability while the latter had much more gradual temporal features. The diurnal characteristics reflected the difference in the fundamental processes driving the measurements. The correlations between NDFC and TDFC fluxes and between MBR and AGM fluxes were significant (R>0.8, p<0.05), but the correlation between DFC and MM fluxes were from weak to moderate (R=0.1-0.5). Statistical analysis indicated that the median of turbulent fluxes estimated by the three independent MM techniques were not significantly different. Cumulative flux measured by TDFC is considerably lower (42% of AGM and 31% of MBR fluxes) while those measured by NDFC, AGM and MBR were similar (<10% difference). This suggests that incorporating an atmospheric turbulence property such as friction velocity for correcting the DFC-measured flux effectively bridged the gap between the Hg0 fluxes measured by enclosure and MM techniques. Cumulated flux measured by REA

  17. A Process Based Approach to Modeling Hydrogen Sulfide Emissions Across the Air-Surface Interface of Manure from Concentrated Animal Feeding Operations

    NASA Astrophysics Data System (ADS)

    Rumsey, I. C.; Aneja, V.

    2009-12-01

    Hydrogen sulfide (H2S) emissions from concentrated animal feeding operations (CAFOs) are an important concern due to their contribution to odor and their potential to form PMfine. CAFO manure surface emissions occur from barns floors, during waste storage and treatment, and following land application. There is a need for a process based model, which will provide a method for quantifying emissions in different production, management and environmental conditions. A process based air-surface interface mass transfer model with chemical reactions was developed based on theoretical principles and related published information on H2S emissions. Different approaches were used to calculate the three main components of the model: the dissociation constant, the Henry’s law constant, and the overall mass transport coefficient. The dissociation constant was calculated based on thermodynamic principles and was corrected for the ionic strength of the manure. Similarly, the Henry’s law constant was also calculated based on thermodynamic principles. The overall mass transfer coefficient was developed using a previously published air-surface interface mass transport model, which considered the most important properties affecting mass transport to be the diffusivity of H2S in air, the air viscosity, and the air density. These parameters were modeled using dimensional analysis, which identified the variables that needed to be measured to determine the relevant constant and exponents values. By using the previously published study’s model and their measured constant and exponent values, an appropriate overall mass transfer coefficient was developed. Sensitivity analysis of the process based air-surface interface mass transfer model showed predicted fluxes to be most dependent on manure sulfide concentration and manure pH, and to a smaller extent on wind speed and manure temperature. Model predicted fluxes were compared with measured H2S flux and meteorological and physiochemical

  18. Air-surface exchange of Hg0 measured by collocated micrometeorological and enclosure methods - Part 1: Data comparability and method characteristics

    NASA Astrophysics Data System (ADS)

    Zhu, W.; Sommar, J.; Lin, C.-J.; Feng, X.

    2014-09-01

    Reliable quantification of air-biosphere exchange flux of elemental mercury vapor (Hg0) is crucial for understanding global biogeochemical cycle of mercury. However, there has not been a standard analytical protocol for flux quantification, and little attention has been devoted to characterize the temporal variability and comparability of fluxes measured by different methods. In this study, we deployed a collocated set of micro-meteorological (MM) and enclosure measurement systems to quantify Hg0 flux over bare soil and low standing crop in an agricultural field. The techniques include relaxed eddy accumulation (REA), modified Bowen-ratio (MBR), aerodynamic gradient (AGM) as well as dynamic flux chambers of traditional (TDFC) and novel (NDFC) designs. The five systems and their measured fluxes were cross-examined with respect to magnitude, temporal trend and sensitivity to environmental variables. Fluxes measured by the MM and DFC methods showed distinct temporal trends. The former exhibited a highly dynamic temporal variability while the latter had much gradual temporal features. The diurnal characteristics reflected the difference in the fundamental processes driving the measurements. The correlations between NDFC and TDFC fluxes and between MBR and AGM fluxes were significant (R > 0.8, p < 0.05), but the correlation between DFC and MM instantaneous fluxes were from weak to moderate (R = 0.1-0.5). Statistical analysis indicated that the median of turbulent fluxes estimated by the three independent MM-techniques were not significantly different. Cumulative flux measured by TDFC is considerably lower (42% of AGM and 31% of MBR fluxes) while those measured by NDFC, AGM and MBR were similar (< 10% difference). This implicates that the NDFC technique, which accounts for internal friction velocity, effectively bridged the gap in measured Hg0 flux compared to MM techniques. Cumulated flux measured by REA was ~60% higher than the gradient-based fluxes. Environmental

  19. Modeling Carbon Exchange

    NASA Technical Reports Server (NTRS)

    Sellers, Piers

    2012-01-01

    Model results will be reviewed to assess different methods for bounding the terrestrial role in the global carbon cycle. It is proposed that a series of climate model runs could be scoped that would tighten the limits on the "missing sink" of terrestrial carbon and could also direct future satellite image analyses to search for its geographical location and understand its seasonal dynamics.

  20. Primer on nuclear exchange models

    SciTech Connect

    Hafemeister, David

    2014-05-09

    Basic physics is applied to nuclear force exchange models between two nations. Ultimately, this scenario approach can be used to try and answer the age old question of 'how much is enough?' This work is based on Chapter 2 of Physics of Societal Issues: Calculations on National Security, Environment and Energy (Springer, 2007 and 2014)

  1. Kinetic models of immediate exchange

    NASA Astrophysics Data System (ADS)

    Heinsalu, Els; Patriarca, Marco

    2014-08-01

    We propose a novel kinetic exchange model differing from previous ones in two main aspects. First, the basic dynamics is modified in order to represent economies where immediate wealth exchanges are carried out, instead of reshufflings or uni-directional movements of wealth. Such dynamics produces wealth distributions that describe more faithfully real data at small values of wealth. Secondly, a general probabilistic trading criterion is introduced, so that two economic units can decide independently whether to trade or not depending on their profit. It is found that the type of the equilibrium wealth distribution is the same for a large class of trading criteria formulated in a symmetrical way with respect to the two interacting units. This establishes unexpected links between and provides a microscopic foundations of various kinetic exchange models in which the existence of a saving propensity is postulated. We also study the generalized heterogeneous version of the model in which units use different trading criteria and show that suitable sets of diversified parameter values with a moderate level of heterogeneity can reproduce realistic wealth distributions with a Pareto power law.

  2. Global observations and modeling of atmosphere-surface exchange of elemental mercury: a critical review

    NASA Astrophysics Data System (ADS)

    Zhu, Wei; Lin, Che-Jen; Wang, Xun; Sommar, Jonas; Fu, Xuewu; Feng, Xinbin

    2016-04-01

    Reliable quantification of air-surface fluxes of elemental Hg vapor (Hg0) is crucial for understanding mercury (Hg) global biogeochemical cycles. There have been extensive measurements and modeling efforts devoted to estimating the exchange fluxes between the atmosphere and various surfaces (e.g., soil, canopies, water, snow, etc.) in the past three decades. However, large uncertainties remain due to the complexity of Hg0 bidirectional exchange, limitations of flux quantification techniques and challenges in model parameterization. In this study, we provide a critical review on the state of science in the atmosphere-surface exchange of Hg0. Specifically, the advancement of flux quantification techniques, mechanisms in driving the air-surface Hg exchange and modeling efforts are presented. Due to the semi-volatile nature of Hg0 and redox transformation of Hg in environmental media, Hg deposition and evasion are influenced by multiple environmental variables including seasonality, vegetative coverage and its life cycle, temperature, light, moisture, atmospheric turbulence and the presence of reactants (e.g., O3, radicals, etc.). However, the effects of these processes on flux have not been fundamentally and quantitatively determined, which limits the accuracy of flux modeling. We compile an up-to-date global observational flux database and discuss the implication of flux data on the global Hg budget. Mean Hg0 fluxes obtained by micrometeorological measurements do not appear to be significantly greater than the fluxes measured by dynamic flux chamber methods over unpolluted surfaces (p = 0.16, one-tailed, Mann-Whitney U test). The spatiotemporal coverage of existing Hg0 flux measurements is highly heterogeneous with large data gaps existing in multiple continents (Africa, South Asia, Middle East, South America and Australia). The magnitude of the evasion flux is strongly enhanced by human activities, particularly at contaminated sites. Hg0 flux observations in East

  3. Evaluation of a regional air-quality model with bidirectional NH3 exchange coupled to an agroecosystem model

    NASA Astrophysics Data System (ADS)

    Bash, J. O.; Cooter, E. J.; Dennis, R. L.; Walker, J. T.; Pleim, J. E.

    2013-03-01

    Atmospheric ammonia (NH3) is the primary atmospheric base and an important precursor for inorganic particulate matter and when deposited NH3 contributes to surface water eutrophication, soil acidification and decline in species biodiversity. Flux measurements indicate that the air-surface exchange of NH3 is bidirectional. However, the effects of bidirectional exchange, soil biogeochemistry and human activity are not parameterized in air quality models. The US Environmental Protection Agency's (EPA) Community Multiscale Air-Quality (CMAQ) model with bidirectional NH3 exchange has been coupled with the United States Department of Agriculture's (USDA) Environmental Policy Integrated Climate (EPIC) agroecosystem model. The coupled CMAQ-EPIC model relies on EPIC fertilization timing, rate and composition while CMAQ models the soil ammonium (NH4+) pool by conserving the ammonium mass due to fertilization, evasion, deposition, and nitrification processes. This mechanistically coupled modeling system reduced the biases and error in NHx (NH3 + NH4+) wet deposition and in ambient aerosol concentrations in an annual 2002 Continental US (CONUS) domain simulation when compared to a 2002 annual simulation of CMAQ without bidirectional exchange. Fertilizer emissions estimated in CMAQ 5.0 with bidirectional exchange exhibits markedly different seasonal dynamics than the US EPA's National Emissions Inventory (NEI), with lower emissions in the spring and fall and higher emissions in July.

  4. Problems in determining air-surface fluxes for climate studies

    SciTech Connect

    Brown, R.A.

    1994-12-31

    The modelling of global air-surface fluxes for climate studies has many problems. Data are sparse. Classical parameterization formulas have received limited verification over the ocean, the pack ice and in many remote regions with various surface characteristics. Nevertheless, surface layer models and bulk parameterization schemes often are adequate for flux calculations based on mean flow parameters. The real problems then lie in the quality of input data for the flux calculations. In general circulation models (GCMs), the surface winds and temperatures may have large errors. These have been shown to be significant to long-term fluxes.

  5. A theory of exchange rate modeling

    SciTech Connect

    Alekseev, A.A.

    1995-09-01

    The article examines exchange rate modeling for two cases: (a) when the trading partners have mutual interests and (b) when the trading partners have antogonistic interests. Exchange rates in world markets are determined by supply and demand for the currency of each state, and states may control the exchange rate of their currency by changing the interest rate, the volume of credit, and product prices in both domestic and export markets. Abstracting from issues of production and technology in different countries and also ignoring various trade, institutional, and other barriers, we consider in this article only the effect of export and import prices on the exchange rate, we propose a new criterion of external trade activity: each trading partner earns a profit which is proportional to the volume of benefits enjoyed by the other partner. We consider a trading cycle that consists of four stages: (a) purchase of goods in the domestic market with the object of selling them abroad; (b) sale of the goods in foreign markets; (c) purchase of goods abroad with the object of selling them in the domestic market; (d) sale of the goods domestically.

  6. Double exchange model for magnetic hexaborides.

    PubMed

    Pereira, Vitor M; Lopes dos Santos, J M B; Castro, Eduardo V; Neto, A H Castro

    2004-10-01

    A microscopic theory for rare-earth ferromagnetic hexaborides, such as Eu1-xCaxB6, is proposed on the basis of the double-exchange Hamiltonian. In these systems, the reduced carrier concentrations place the Fermi level near the mobility edge, introduced in the spectral density by the disordered spin background. We show that the transport properties such as the Hall effect, magnetoresistance, frequency dependent conductivity, and dc resistivity can be quantitatively described within the model. We also make specific predictions for the behavior of the Curie temperature T(C) as a function of the plasma frequency omega(p).

  7. Flight Simulation Model Exchange. Volume 2; Appendices

    NASA Technical Reports Server (NTRS)

    Murri, Daniel G.; Jackson, E. Bruce

    2011-01-01

    The NASA Engineering and Safety Center Review Board sponsored an assessment of the draft Standard, Flight Dynamics Model Exchange Standard, BSR/ANSI-S-119-201x (S-119) that was conducted by simulation and guidance, navigation, and control engineers from several NASA Centers. The assessment team reviewed the conventions and formats spelled out in the draft Standard and the actual implementation of two example aerodynamic models (a subsonic F-16 and the HL-20 lifting body) encoded in the Extensible Markup Language grammar. During the implementation, the team kept records of lessons learned and provided feedback to the American Institute of Aeronautics and Astronautics Modeling and Simulation Technical Committee representative. This document contains the appendices to the main report.

  8. Flight Simulation Model Exchange. Volume 1

    NASA Technical Reports Server (NTRS)

    Murri, Daniel G.; Jackson, E. Bruce

    2011-01-01

    The NASA Engineering and Safety Center Review Board sponsored an assessment of the draft Standard, Flight Dynamics Model Exchange Standard, BSR/ANSI-S-119-201x (S-119) that was conducted by simulation and guidance, navigation, and control engineers from several NASA Centers. The assessment team reviewed the conventions and formats spelled out in the draft Standard and the actual implementation of two example aerodynamic models (a subsonic F-16 and the HL-20 lifting body) encoded in the Extensible Markup Language grammar. During the implementation, the team kept records of lessons learned and provided feedback to the American Institute of Aeronautics and Astronautics Modeling and Simulation Technical Committee representative. This document contains the results of the assessment.

  9. Projecting Ammonia Dry Deposition Using Passive Samplers and a Bi-Directional Exchange Model

    NASA Astrophysics Data System (ADS)

    Robarge, W. P.; Walker, J. T.; Austin, R. E.

    2011-12-01

    Animal agriculture within the United States is known to be a source of ammonia (NH3) emissions. Dry deposition of NH3 to terrestrial ecosystems immediately surrounding large local sources of NH3 emissions (e.g. animal feeding operations) is difficult to measure, and is best estimated via models. Presented here are results for a semi-empirical modeling approach for estimating air-surface exchange fluxes of NH3 downwind of a large poultry facility (~ 3.5 million layers) using a bi-directional air-surface exchange model. The modeling domain is the western section of the Pocosin Lakes National Wildlife Refuge in Tyrrell, Washington, and Hyde Counties of eastern North Carolina in the South Atlantic Coastal Plain physiographic region. Vegetation within the modeling domain is primarily pocosin wetlands, characterized by acid (pH 3.6) peat soils and a thick canopy of shrub vegetation (leatherwood (Cyrilla racemiflora), inkberry (Ilex glabra), wax myrtle (Morella cerifera)). Land surrounding the refuge is primarily used for crop production: ~ 28%, 24%, and 45% agricultural in Tyrell, Hyde, and Washington counties, respectively. Ammonia air-surface exchange (flux) was calculated using a two-layer canopy compensation point model developed by Nemitz et al. (2001. Quart. J. Roy. Met. Soc. 127, 815 - 833.) as implemented by Walker et al. (2008. Atmos. Environ., 42, 3407 - 3418.), in which the competing processes of emission and deposition within the foliage-soil system were taken into account by relating the net canopy-scale NH3 flux to the net emission potential of the canopy (i.e., foliage and soil). Ammonia air concentrations were measured using ALPHA passive samplers (Center for Ecology and Hydrology, Edinburgh) along transects to the north and northeast of the poultry facility at distances of 800, 2000 and 3200 m, respectively. Samplers were deployed in duplicate at each location at a height of 5.8 m from July 2008 to July 2010 weekly during warm months and bi-weekly curing

  10. Models with inverse-square exchange

    NASA Astrophysics Data System (ADS)

    Ha, Z. N. C.; Haldane, F. D. M.

    1992-10-01

    A one-dimensional quantum N-body system of either fermions or bosons with SU(n) ``spins'' (or colors in particle physics language) interacting via inverse-square exchange is presented in this paper. A class of eigenstates of both the continuum and lattice version of the model Hamiltonians is constructed in terms of the Jastrow-product-type wave function. The class of states we construct in this paper corresponds to the ground state and the low-energy excitations of the model that can be described by the effective harmonic fluid Hamiltonian. By expanding the energy about the ground state we find the harmonic fluid parameters (i.e., the charge, spin velocities, etc.) explicitly. The correlation exponent and the compressibility are also found. As expected, the general harmonic relation [i.e., vS=(vNvJ)1/2] is satisfied among the charge and spin velocities.

  11. Percolation in a kinetic opinion exchange model

    NASA Astrophysics Data System (ADS)

    Chandra, Anjan Kumar

    2012-02-01

    We study the percolation transition of the geometrical clusters in the square-lattice LCCC model [a kinetic opinion exchange model introduced by Lallouache, Chakrabarti, Chakraborti, and Chakrabarti, Phys. Rev. EPLEEE81539-375510.1103/PhysRevE.82.056112 82, 056112 (2010)] with the change in conviction and influencing parameter. The cluster is comprised of the adjacent sites having an opinion value greater than or equal to a prefixed threshold value of opinion (Ω). The transition point is different from that obtained for the transition of the order parameter (average opinion value) found by Lallouache Although the transition point varies with the change in the threshold value of the opinion, the critical exponents for the percolation transition obtained from the data collapses of the maximum cluster size, the cluster size distribution, and the Binder cumulant remain the same. The exponents are also independent of the values of conviction and influencing parameters, indicating the robustness of this transition. The exponents do not match any other known percolation exponents (e.g., the static Ising, dynamic Ising, and standard percolation). This means that the LCCC model belongs to a separate universality class.

  12. A Scale Model of Cation Exchange for Classroom Demonstration.

    ERIC Educational Resources Information Center

    Guertal, E. A.; Hattey, J. A.

    1996-01-01

    Describes a project that developed a scale model of cation exchange that can be used for a classroom demonstration. The model uses kaolinite clay, nails, plywood, and foam balls to enable students to gain a better understanding of the exchange complex of soil clays. (DDR)

  13. An Activity Model to Demonstrate Countercurrent Exchange.

    ERIC Educational Resources Information Center

    Benner, D. B.

    1998-01-01

    Discusses the scant coverage in high school textbooks of countercurrent exchange for the efficient movement of molecules across biological membranes. Argues that this is one of the most intriguing of the physiological adaptive mechanisms. (DDR)

  14. Modeling Philippine Stock Exchange Composite Index Using Time Series Analysis

    NASA Astrophysics Data System (ADS)

    Gayo, W. S.; Urrutia, J. D.; Temple, J. M. F.; Sandoval, J. R. D.; Sanglay, J. E. A.

    2015-06-01

    This study was conducted to develop a time series model of the Philippine Stock Exchange Composite Index and its volatility using the finite mixture of ARIMA model with conditional variance equations such as ARCH, GARCH, EG ARCH, TARCH and PARCH models. Also, the study aimed to find out the reason behind the behaviorof PSEi, that is, which of the economic variables - Consumer Price Index, crude oil price, foreign exchange rate, gold price, interest rate, money supply, price-earnings ratio, Producers’ Price Index and terms of trade - can be used in projecting future values of PSEi and this was examined using Granger Causality Test. The findings showed that the best time series model for Philippine Stock Exchange Composite index is ARIMA(1,1,5) - ARCH(1). Also, Consumer Price Index, crude oil price and foreign exchange rate are factors concluded to Granger cause Philippine Stock Exchange Composite Index.

  15. Modeling of Crystalline Silicotitanate Ion Exchange Columns

    SciTech Connect

    Walker, D.D.

    1999-03-09

    Non-elutable ion exchange is being considered as a potential replacement for the In-Tank Precipitation process for removing cesium from Savannah River Site (SRS) radioactive waste. Crystalline silicotitanate (CST) particles are the reference ion exchange medium for the process. A major factor in the construction cost of this process is the size of the ion exchange column required to meet product specifications for decontaminated waste. To validate SRS column sizing calculations, SRS subcontracted two reknowned experts in this field to perform similar calculations: Professor R. G. Anthony, Department of Chemical Engineering, Texas A&038;M University, and Professor S. W. Wang, Department of Chemical Engineering, Purdue University. The appendices of this document contain reports from the two subcontractors. Definition of the design problem came through several meetings and conference calls between the participants and SRS personnel over the past few months. This document summarizes the problem definition and results from the two reports.

  16. Protein hydrogen exchange: Testing current models

    PubMed Central

    Skinner, John J; Lim, Woon K; Bédard, Sabrina; Black, Ben E; Englander, S Walter

    2012-01-01

    To investigate the determinants of protein hydrogen exchange (HX), HX rates of most of the backbone amide hydrogens of Staphylococcal nuclease were measured by NMR methods. A modified analysis was used to improve accuracy for the faster hydrogens. HX rates of both near surface and well buried hydrogens are spread over more than 7 orders of magnitude. These results were compared with previous hypotheses for HX rate determination. Contrary to a common assumption, proximity to the surface of the native protein does not usually produce fast exchange. The slow HX rates for unprotected surface hydrogens are not well explained by local electrostatic field. The ability of buried hydrogens to exchange is not explained by a solvent penetration mechanism. The exchange rates of structurally protected hydrogens are not well predicted by algorithms that depend only on local interactions or only on transient unfolding reactions. These observations identify some of the present difficulties of HX rate prediction and suggest the need for returning to a detailed hydrogen by hydrogen analysis to examine the bases of structure-rate relationships, as described in the companion paper (Skinner et al., Protein Sci 2012;21:996–1005). PMID:22544567

  17. Ferrokinetics: a biologic model for plasma iron exchange in man

    PubMed Central

    Cook, J. D.; Marsaglia, G.; Eschbach, J. W.; Funk, D. D.; Finch, C. A.

    1970-01-01

    A method is presented for calculating internal iron kinetics. An early reflux associated with extravascular exchange and a late reflux associated with erythropoiesis are described. A biologic model of iron exchange is proposed in which erythron iron turnover is divided into an effective portion (iron fixed in circulating red cells) and wastage iron of erythropoiesis (late reflux). Nonerythroid iron exchange also has a fixed portion (parenchymal uptake) and an early reflux (lymphatic circuit), both of which correlate in amount with the amount of plasma iron. Ferrokinetic measurements in normal subjects and in various pathologic states are presented to validate the model. PMID:5411779

  18. Common Data Model for Neuroscience Data and Data Model Exchange

    PubMed Central

    Gardner, Daniel; Knuth, Kevin H.; Abato, Michael; Erde, Steven M.; White, Thomas; DeBellis, Robert; Gardner, Esther P.

    2001-01-01

    Objective: Generalizing the data models underlying two prototype neurophysiology databases, the authors describe and propose the Common Data Model (CDM) as a framework for federating a broad spectrum of disparate neuroscience information resources. Design: Each component of the CDM derives from one of five superclasses—data, site, method, model, and reference—or from relations defined between them. A hierarchic attribute-value scheme for metadata enables interoperability with variable tree depth to serve specific intra- or broad inter-domain queries. To mediate data exchange between disparate systems, the authors propose a set of XML-derived schema for describing not only data sets but data models. These include biophysical description markup language (BDML), which mediates interoperability between data resources by providing a meta-description for the CDM. Results: The set of superclasses potentially spans data needs of contemporary neuroscience. Data elements abstracted from neurophysiology time series and histogram data represent data sets that differ in dimension and concordance. Site elements transcend neurons to describe subcellular compartments, circuits, regions, or slices; non-neuroanatomic sites include sequences to patients. Methods and models are highly domain-dependent. Conclusions: True federation of data resources requires explicit public description, in a metalanguage, of the contents, query methods, data formats, and data models of each data resource. Any data model that can be derived from the defined superclasses is potentially conformant and interoperability can be enabled by recognition of BDML-described compatibilities. Such metadescriptions can buffer technologic changes. PMID:11141510

  19. EXCHANGE

    SciTech Connect

    Boltz, J.C.

    1992-09-01

    EXCHANGE is published monthly by the Idaho National Engineering Laboratory (INEL), a multidisciplinary facility operated for the US Department of Energy (DOE). The purpose of EXCHANGE is to inform computer users about about recent changes and innovations in both the mainframe and personal computer environments and how these changes can affect work being performed at DOE facilities.

  20. Kinetic exchange models: From molecular physics to social science

    NASA Astrophysics Data System (ADS)

    Patriarca, Marco; Chakraborti, Anirban

    2013-08-01

    We discuss several multi-agent models that have their origin in the kinetic exchange theory of statistical mechanics and have been recently applied to a variety of problems in the social sciences. This class of models can be easily adapted for simulations in areas other than physics, such as the modeling of income and wealth distributions in economics and opinion dynamics in sociology.

  1. Non-equilibrium stochastic model for stock exchange market

    NASA Astrophysics Data System (ADS)

    Kim, Yup; Kwon, Ikhyun; Yook, Soon-Hyung

    2013-12-01

    We study the effect of the topology of industrial relationship (IR) between the companies in a stock exchange market on the universal features in the market. For this we propose a stochastic model for stock exchange markets based on the behavior of technical traders. From the numerical simulations we measure the return distribution, P(R), and the autocorrelation function of the volatility, C(T), and find that the observed universal features in real financial markets are originated from the heterogeneity of IR network topology. Moreover, the heterogeneous IR topology can also explain Zipf-Pareto’s law for the distribution of market value of equity in the real stock exchange markets.

  2. MODELING RESULTS FROM CESIUM ION EXCHANGE PROCESSING WITH SPHERICAL RESINS

    SciTech Connect

    Nash, C.; Hang, T.; Aleman, S.

    2011-01-03

    Ion exchange modeling was conducted at the Savannah River National Laboratory to compare the performance of two organic resins in support of Small Column Ion Exchange (SCIX). In-tank ion exchange (IX) columns are being considered for cesium removal at Hanford and the Savannah River Site (SRS). The spherical forms of resorcinol formaldehyde ion exchange resin (sRF) as well as a hypothetical spherical SuperLig{reg_sign} 644 (SL644) are evaluated for decontamination of dissolved saltcake wastes (supernates). Both SuperLig{reg_sign} and resorcinol formaldehyde resin beds can exhibit hydraulic problems in their granular (nonspherical) forms. SRS waste is generally lower in potassium and organic components than Hanford waste. Using VERSE-LC Version 7.8 along with the cesium Freundlich/Langmuir isotherms to simulate the waste decontamination in ion exchange columns, spherical SL644 was found to reduce column cycling by 50% for high-potassium supernates, but sRF performed equally well for the lowest-potassium feeds. Reduced cycling results in reduction of nitric acid (resin elution) and sodium addition (resin regeneration), therefore, significantly reducing life-cycle operational costs. These findings motivate the development of a spherical form of SL644. This work demonstrates the versatility of the ion exchange modeling to study the effects of resin characteristics on processing cycles, rates, and cold chemical consumption. The value of a resin with increased selectivity for cesium over potassium can be assessed for further development.

  3. Micromagnetic modeling of overlaid exchange-biased giant magnetoresistance head

    NASA Astrophysics Data System (ADS)

    Zheng, Yuankai; You, Dan; Wu, Yihong

    2002-05-01

    Overlaid exchange-biased structures for giant magnetoresistance head have been proposed and investigated. A home-developed three-dimensional micromagnetic modeling tool has been used to simulate synthetic antiferromagnetic spin valves of this type of biased structure with dimensions of 100 nm in width and 80 nm in height. Simulation results showed that, with a properly chosen antiferromagnetic material and structure, the exchange-biasing field could be made sufficient to suppress the noise without severely reducing the sensitivity. The sensitivity of overlaid exchange-biased spin valves is 1.73 times that of the abutted hard biased ones. Microtrack profiles showed that side reading effect could be suppressed effectively with an effective exchange-biasing field over 600 Oe.

  4. Flight Dynamic Model Exchange using XML

    NASA Technical Reports Server (NTRS)

    Jackson, E. Bruce; Hildreth, Bruce L.

    2002-01-01

    The AIAA Modeling and Simulation Technical Committee has worked for several years to develop a standard by which the information needed to develop physics-based models of aircraft can be specified. The purpose of this standard is to provide a well-defined set of information, definitions, data tables and axis systems so that cooperating organizations can transfer a model from one simulation facility to another with maximum efficiency. This paper proposes using an application of the eXtensible Markup Language (XML) to implement the AIAA simulation standard. The motivation and justification for using a standard such as XML is discussed. Necessary data elements to be supported are outlined. An example of an aerodynamic model as an XML file is given. This example includes definition of independent and dependent variables for function tables, definition of key variables used to define the model, and axis systems used. The final steps necessary for implementation of the standard are presented. Software to take an XML-defined model and import/export it to/from a given simulation facility is discussed, but not demonstrated. That would be the next step in final implementation of standards for physics-based aircraft dynamic models.

  5. Modeling exact exchange potential in spherically confined atoms.

    PubMed

    Vyboishchikov, Sergei F

    2015-10-15

    In this work, local exchange potentials corresponding to the Hartree-Fock (HF) electron density have been obtained using the Zhao-Morrison-Parr method for a number of closed-shell confined atoms and ions. The exchange potentials obtained and the resulting density were compared with those given by the Becke-Johnson (BJ) model potential. It is demonstrated that introducing a scaling factor to the BJ potential allows improving the quality of the resulting density. The optimum scaling factor increases with decreasing confinement radius. The performance of Karasiev and Ludeña's SCα-LDA method as well as of the Becke-88 exchange potential for reproducing the HF electron densities in confined atoms has been also examined.

  6. Effects of perturbative exchanges in a QCD-string model

    SciTech Connect

    J. Weda; J. Tjon

    2004-03-01

    The QCD-string model for baryons derived by Simonov and used for the calculation of baryon magnetic moments in a previous paper is extended to include also perturbative gluon and meson exchanges. The mass spectrum of the baryon multiplet is studied. For the meson interaction either the pseudoscalar or pseudovector coupling is used. Predictions are compared with the experimental data. Besides these exchanges the influence of excited quark orbitals on the baryon ground state are considered by performing a multichannel calculation. The nucleon-Delta splitting increases due to the mixing of higher quark states while the baryon magnetic momenta decrease. The multichannel calculation with perturbative exchanges is shown to yield reasonable magnetic moments while the mass spectrum is close to experiment.

  7. A conceptual model of Verbal Exchange Health Literacy

    PubMed Central

    Harrington, Kathleen F.; Valerio, Melissa A.

    2014-01-01

    Objective To address a gap in understanding of verbal exchange (oral and aural) health literacy by describing the systematic development of a verbal exchange health literacy (VEHL) definition and model which hypothesizes the role of VEHL in health outcomes. Methods Current health literacy and communication literature was systematically reviewed and combined with qualitative patient and provider data that were analyzed using a grounded theory approach. Results Analyses of current literature and formative data indicated the importance of verbal exchange in the clinical setting and revealed various factors associated with the patient-provider relationship and their characteristics that influence decision making and health behaviors. VEHL is defined as the ability to speak and listen that facilitates exchanging, understanding, and interpreting of health information for health-decision making, disease management and navigation of the healthcare system. A model depiction of mediating and influenced factors is presented. Conclusion A definition and model of VEHL is a step towards addressing a gap in health literacy knowledge and provides a foundation for examining the influence of VEHL on health outcomes. Practice Implications VEHL is an extension of current descriptions of health literacy and has implications for patient-provider communication and health decision making. PMID:24291145

  8. Development of models for exchange of electronic documents

    SciTech Connect

    Glavev, Victor

    2014-11-18

    The report presents a model for exchange of electronic documents between different government administrations. It defines electronic messages that are transmitted between them and the way that messages should be processed by software systems. The proposed approach is sufficiently general and allows use of the best applicable information technologies such as data presentation structures and communication protocols. Within the study, a simple implementation of the model is implemented and deployed in various government administrations in Republic of Bulgaria.

  9. Poisson-Fermi Modeling of the Ion Exchange Mechanism of the Sodium/Calcium Exchanger.

    PubMed

    Liu, Jinn-Liang; Hsieh, Hann-Jeng; Eisenberg, Bob

    2016-03-17

    The ion exchange mechanism of the sodium/calcium exchanger (NCX) crystallized by Liao et al. in 2012 is studied using the Poisson-Fermi theory developed by Liu and Eisenberg in 2014. A cycle of binding and unbinding is proposed to account for the Na(+)/Ca(2+) exchange function of the NCX molecule. Outputs of the theory include electric and steric fields of ions with different sizes, correlations of ions of different charges, and polarization of water, along with number densities of ions, water molecules, and interstitial voids. We calculate the electrostatic and steric potentials of the four binding sites in NCX, i.e., three Na(+) binding sites and one Ca(2+) binding site, with protein charges provided by the software PDB2PQR. The energy profiles of Na(+) and Ca(2+) ions along their respective Na(+) and Ca(2+) pathways in experimental conditions enable us to explain the fundamental mechanism of NCX that extrudes intracellular Ca(2+) across the cell membrane against its chemical gradient by using the downhill gradient of Na(+). Atomic and numerical details of the binding sites are given to illustrate the 3 Na(+):1 Ca(2+) stoichiometry of NCX. The protein NCX is a catalyst. It does not provide (free) energy for transport. All energy for transport in our model comes from the ions in surrounding baths. PMID:26906748

  10. Modeling tidal exchange and dispersion in Boston Harbor

    USGS Publications Warehouse

    Signell, Richard P.; Butman, Bradford

    1992-01-01

    Tidal dispersion and the horizontal exchange of water between Boston Harbor and the surrounding ocean are examined with a high-resolution (200 m) depth-averaged numerical model. The strongly varying bathymetry and coastline geometry of the harbor generate complex spatial patterns in the modeled tidal currents which are verified by shipboard acoustic Doppler surveys. Lagrangian exchange experiments demonstrate that tidal currents rapidly exchange and mix material near the inlets of the harbor due to asymmetry in the ebb/flood response. This tidal mixing zone extends roughly a tidal excursion from the inlets and plays an important role in the overall flushing of the harbor. Because the tides can only efficiently mix material in this limited region, however, harbor flushing must be considered a two step process: rapid exchange in the tidal mixing zone, followed by flushing of the tidal mixing zone by nontidal residual currents. Estimates of embayment flushing based on tidal calculations alone therefore can significantly overestimate the flushing time that would be expected under typical environmental conditions. Particle-release simulations from point sources also demonstrate that while the tides efficiently exchange material in the vicinity of the inlets, the exact nature of dispersion from point sources is extremely sensitive to the timing and location of the release, and the distribution of particles is streaky and patchlike. This suggests that high-resolution modeling of dispersion from point sources in these regions must be performed explicitly and cannot be parameterized as a plume with Gaussian-spreading in a larger scale flow field.

  11. Performance analysis of a medical record exchanges model.

    PubMed

    Huang, Ean-Wen; Liou, Der-Ming

    2007-03-01

    Electronic medical record exchange among hospitals can provide more information for physician diagnosis and reduce costs from duplicate examinations. In this paper, we proposed and implemented a medical record exchange model. According to our study, exchange interface servers (EISs) are designed for hospitals to manage the information communication through the intra and interhospital networks linked with a medical records database. An index service center can be given responsibility for managing the EIS and publishing the addresses and public keys. The prototype system has been implemented to generate, parse, and transfer the health level seven query messages. Moreover, the system can encrypt and decrypt a message using the public-key encryption algorithm. The queuing theory is applied to evaluate the performance of our proposed model. We estimated the service time for each queue of the CPU, database, and network, and measured the response time and possible bottlenecks of the model. The capacity of the model is estimated to process the medical records of about 4000 patients/h in the 1-MB network backbone environments, which comprises about the 4% of the total outpatients in Taiwan.

  12. Gas Exchange Models for a Flexible Insect Tracheal System.

    PubMed

    Simelane, S M; Abelman, S; Duncan, F D

    2016-06-01

    In this paper two models for movement of respiratory gases in the insect trachea are presented. One model considers the tracheal system as a single flexible compartment while the other model considers the trachea as a single flexible compartment with gas exchange. This work represents an extension of Ben-Tal's work on compartmental gas exchange in human lungs and is applied to the insect tracheal system. The purpose of the work is to study nonlinear phenomena seen in the insect respiratory system. It is assumed that the flow inside the trachea is laminar, and that the air inside the chamber behaves as an ideal gas. Further, with the isothermal assumption, the expressions for the tracheal partial pressures of oxygen and carbon dioxide, rate of volume change, and the rates of change of oxygen concentration and carbon dioxide concentration are derived. The effects of some flow parameters such as diffusion capacities, reaction rates and air concentrations on net flow are studied. Numerical simulations of the tracheal flow characteristics are performed. The models developed provide a mathematical framework to further investigate gas exchange in insects. PMID:27209375

  13. Pion double charge exchange in a composite-meson model

    SciTech Connect

    Kezerashvili, R. Ya.; Boyko, V. S.

    2007-01-15

    The pion double charge exchange amplitude is evaluated in a composite-meson model based on the four-quark interaction. The model assumes that the mesons are two-quark systems and can interact with each other only through quark loops. To evaluate the meson exchange current contribution, the form factors of the two-pion decay modes of the {rho},{sigma}, and f{sub 0} mesons have been used in the calculations. The contribution of the four-quark box diagram has been taken into account as well as a contact diagram. The contributions of the {rho},{sigma}, and f{sub 0} mesons increase the forward scattering cross section, which depends weakly on the energy.

  14. Measuring and Modeling Component and Whole-System Carbon Exchange

    SciTech Connect

    Paul Bolstad

    2006-11-01

    We measured ecosystem/atmospheric carbon exchange through a range of methods covering a range of scales. We measured carbon (C) pool and flux for a number of previously poorly quantified ecosystems, developed measurement and modeling methods, and applied these to substantially increase the accuracy and reduce uncertainty in ecosystem/atmospheric C exchange at a range of scales. It appears most upland forests are weak to strong carbon sinks, and status depends largely on disturbance history and age. Net flux from wetland ecosystems appears to be from weak sinks to moderate sources of C to the atmosphere. We found limited evidence for a positive feedback of warming/drying to increased ecosystem C emissions. We further developed multi-source integration and modeling methods, including multiple towers, to scale estimates to landscapes and larger regions.

  15. Generalized Bogoliubov Polariton Model: An Application to Stock Exchange Market

    NASA Astrophysics Data System (ADS)

    Thuy Anh, Chu; Anh, Truong Thi Ngoc; Lan, Nguyen Tri; Viet, Nguyen Ai

    2016-06-01

    A generalized Bogoliubov method for investigation non-simple and complex systems was developed. We take two branch polariton Hamiltonian model in second quantization representation and replace the energies of quasi-particles by two distribution functions of research objects. Application to stock exchange market was taken as an example, where the changing the form of return distribution functions from Boltzmann-like to Gaussian-like was studied.

  16. Exchange bias phenomenology and models of core/shell nanoparticles.

    PubMed

    Iglesias, Oscar; Labarta, Amílcar; Batlle, Xavier

    2008-06-01

    Some of the main experimental observations related to the occurrence of exchange bias in magnetic systems are reviewed, focusing the attention on the peculiar phenomenology associated to nanoparticles with core/shell structure as compared to thin film bilayers. The main open questions posed by the experimental observations are presented and contrasted to existing theories and models for exchange bias formulated up to date. We also present results of simulations based on a simple model of a core/shell nanoparticle in which the values of microscopic parameters such as anisotropy and exchange constants can be tuned in the core, shell and at the interfacial regions, offering new insight on the microscopic origin of the experimental phenomenology. A detailed study of the magnetic order of the interfacial spins shows compelling evidence that most of the experimentally observed effects can be qualitatively accounted within the context of this model and allows also to quantify the magnitude of the loop shifts in striking agreement with the macroscopic observed values.

  17. Bayesian Models of Graphs, Arrays and Other Exchangeable Random Structures.

    PubMed

    Orbanz, Peter; Roy, Daniel M

    2015-02-01

    The natural habitat of most Bayesian methods is data represented by exchangeable sequences of observations, for which de Finetti's theorem provides the theoretical foundation. Dirichlet process clustering, Gaussian process regression, and many other parametric and nonparametric Bayesian models fall within the remit of this framework; many problems arising in modern data analysis do not. This article provides an introduction to Bayesian models of graphs, matrices, and other data that can be modeled by random structures. We describe results in probability theory that generalize de Finetti's theorem to such data and discuss their relevance to nonparametric Bayesian modeling. With the basic ideas in place, we survey example models available in the literature; applications of such models include collaborative filtering, link prediction, and graph and network analysis. We also highlight connections to recent developments in graph theory and probability, and sketch the more general mathematical foundation of Bayesian methods for other types of data beyond sequences and arrays. PMID:26353253

  18. Wealth distribution of simple exchange models coupled with extremal dynamics

    NASA Astrophysics Data System (ADS)

    Bagatella-Flores, N.; Rodríguez-Achach, M.; Coronel-Brizio, H. F.; Hernández-Montoya, A. R.

    2015-01-01

    Punctuated Equilibrium (PE) states that after long periods of evolutionary quiescence, species evolution can take place in short time intervals, where sudden differentiation makes new species emerge and some species extinct. In this paper, we introduce and study the effect of punctuated equilibrium on two different asset exchange models: the yard sale model (YS, winner gets a random fraction of a poorer player's wealth) and the theft and fraud model (TF, winner gets a random fraction of the loser's wealth). The resulting wealth distribution is characterized using the Gini index. In order to do this, we consider PE as a perturbation with probability ρ of being applied. We compare the resulting values of the Gini index at different increasing values of ρ in both models. We found that in the case of the TF model, the Gini index reduces as the perturbation ρ increases, not showing dependence with the agents number. While for YS we observe a phase transition which happens around ρc = 0.79. For perturbations ρ <ρc the Gini index reaches the value of one as time increases (an extreme wealth condensation state), whereas for perturbations greater than or equal to ρc the Gini index becomes different to one, avoiding the system reaches this extreme state. We show that both simple exchange models coupled with PE dynamics give more realistic results. In particular for YS, we observe a power low decay of wealth distribution.

  19. Krypton charge exchange cross sections for Hall effect thruster models

    SciTech Connect

    Hause, Michael L.; Prince, Benjamin D.; Bemish, Raymond J.

    2013-04-28

    Following discharge from a Hall effect thruster, charge exchange occurs between ions and un-ionized propellant atoms. The low-energy cations produced can disturb operation of onboard instrumentation or the thruster itself. Charge-exchange cross sections for both singly and doubly charged propellant atoms are required to model these interactions. While xenon is the most common propellant currently used in Hall effect thrusters, other propellants are being considered, in particular, krypton. We present here guided-ion beam measurements and comparisons to semiclassical calculations for Kr{sup +} + Kr and Kr{sup 2+} + Kr cross sections. The measurements of symmetric Kr{sup +} + Kr charge exchange are in good agreement with both the calculations including spin-orbit effects and previous measurements. For the symmetric Kr{sup 2+} + Kr reaction, we present cross section measurements for center-of-mass energies between 1 eV and 300 eV, which spans energies not previously examined experimentally. These cross section measurements compare well with a simple one-electron transfer model. Finally, cross sections for the asymmetric Kr{sup 2+} + Kr {yields} Kr{sup +} + Kr{sup +} reaction show an onset near 12 eV, reaching cross sections near constant value of 1.6 A{sup 2} with an exception near 70-80 eV.

  20. A Continuum Model for Metabolic Gas Exchange in Pear Fruit

    PubMed Central

    Ho, Q. Tri; Verboven, Pieter; Verlinden, Bert E.; Lammertyn, Jeroen; Vandewalle, Stefan; Nicolaï, Bart M.

    2008-01-01

    Exchange of O2 and CO2 of plants with their environment is essential for metabolic processes such as photosynthesis and respiration. In some fruits such as pears, which are typically stored under a controlled atmosphere with reduced O2 and increased CO2 levels to extend their commercial storage life, anoxia may occur, eventually leading to physiological disorders. In this manuscript we have developed a mathematical model to predict the internal gas concentrations, including permeation, diffusion, and respiration and fermentation kinetics. Pear fruit has been selected as a case study. The model has been used to perform in silico experiments to evaluate the effect of, for example, fruit size or ambient gas concentration on internal O2 and CO2 levels. The model incorporates the actual shape of the fruit and was solved using fluid dynamics software. Environmental conditions such as temperature and gas composition have a large effect on the internal distribution of oxygen and carbon dioxide in fruit. Also, the fruit size has a considerable effect on local metabolic gas concentrations; hence, depending on the size, local anaerobic conditions may result, which eventually may lead to physiological disorders. The model developed in this manuscript is to our knowledge the most comprehensive model to date to simulate gas exchange in plant tissue. It can be used to evaluate the effect of environmental stresses on fruit via in silico experiments and may lead to commercial applications involving long-term storage of fruit under controlled atmospheres. PMID:18369422

  1. Modeling inflation rates and exchange rates in Ghana: application of multivariate GARCH models.

    PubMed

    Nortey, Ezekiel Nn; Ngoh, Delali D; Doku-Amponsah, Kwabena; Ofori-Boateng, Kenneth

    2015-01-01

    This paper was aimed at investigating the volatility and conditional relationship among inflation rates, exchange rates and interest rates as well as to construct a model using multivariate GARCH DCC and BEKK models using Ghana data from January 1990 to December 2013. The study revealed that the cumulative depreciation of the cedi to the US dollar from 1990 to 2013 is 7,010.2% and the yearly weighted depreciation of the cedi to the US dollar for the period is 20.4%. There was evidence that, the fact that inflation rate was stable, does not mean that exchange rates and interest rates are expected to be stable. Rather, when the cedi performs well on the forex, inflation rates and interest rates react positively and become stable in the long run. The BEKK model is robust to modelling and forecasting volatility of inflation rates, exchange rates and interest rates. The DCC model is robust to model the conditional and unconditional correlation among inflation rates, exchange rates and interest rates. The BEKK model, which forecasted high exchange rate volatility for the year 2014, is very robust for modelling the exchange rates in Ghana. The mean equation of the DCC model is also robust to forecast inflation rates in Ghana. PMID:25741459

  2. Modeling inflation rates and exchange rates in Ghana: application of multivariate GARCH models.

    PubMed

    Nortey, Ezekiel Nn; Ngoh, Delali D; Doku-Amponsah, Kwabena; Ofori-Boateng, Kenneth

    2015-01-01

    This paper was aimed at investigating the volatility and conditional relationship among inflation rates, exchange rates and interest rates as well as to construct a model using multivariate GARCH DCC and BEKK models using Ghana data from January 1990 to December 2013. The study revealed that the cumulative depreciation of the cedi to the US dollar from 1990 to 2013 is 7,010.2% and the yearly weighted depreciation of the cedi to the US dollar for the period is 20.4%. There was evidence that, the fact that inflation rate was stable, does not mean that exchange rates and interest rates are expected to be stable. Rather, when the cedi performs well on the forex, inflation rates and interest rates react positively and become stable in the long run. The BEKK model is robust to modelling and forecasting volatility of inflation rates, exchange rates and interest rates. The DCC model is robust to model the conditional and unconditional correlation among inflation rates, exchange rates and interest rates. The BEKK model, which forecasted high exchange rate volatility for the year 2014, is very robust for modelling the exchange rates in Ghana. The mean equation of the DCC model is also robust to forecast inflation rates in Ghana.

  3. Simulation model air-to-air plate heat exchanger

    SciTech Connect

    Wetter, Michael

    1999-01-01

    A simple simulation model of an air-to-air plate heat exchanger is presented. The model belongs to a collection of simulation models that allows the eflcient computer simulation of heating, ventilation, and air-conditioning (HVAC) systems. The main emphasis of the models is to shorten computation time and to use only input data that are known in the design process of an HVAC system. The target of the models is to describe the behavior of HVAC components in the part-load operation mode, which is becoming increasingly important in energy eficient HVAC systems. The models are intended to be used for yearly energy calculations or load calculations with time steps of about 10 minutes or larger. Short- time dynamic effects, which are of interest for different aspects of control theory, are neglected. The part-load behavior is expressed in terms of the nominal condition and the dimensionless variation of the heat transfer with change of mass flow and temperature. The effectiveness- NTU relations are used to parametrize the convective heat transfer at nominal conditions and to compute the part-load condition. If the heat transfer coefficients on the two exchanger sides are not equal (i. e. due to partial bypassing of air), their ratio can be easily calculated and set as a parameter. The model is static and uses explicit equations only. The explicit model formulation ensures short computation time and numerical stability, which allows using the model with sophisticated engineering methods like automatic system optimization. This paper fully outlines the algorithm description and its simplifications. It is not tailored for any particular simulation program to ensure easy implementation in any simulation program.

  4. Modeling Inflation Using a Non-Equilibrium Equation of Exchange

    NASA Technical Reports Server (NTRS)

    Chamberlain, Robert G.

    2013-01-01

    Inflation is a change in the prices of goods that takes place without changes in the actual values of those goods. The Equation of Exchange, formulated clearly in a seminal paper by Irving Fisher in 1911, establishes an equilibrium relationship between the price index P (also known as "inflation"), the economy's aggregate output Q (also known as "the real gross domestic product"), the amount of money available for spending M (also known as "the money supply"), and the rate at which money is reused V (also known as "the velocity of circulation of money"). This paper offers first a qualitative discussion of what can cause these factors to change and how those causes might be controlled, then develops a quantitative model of inflation based on a non-equilibrium version of the Equation of Exchange. Causal relationships are different from equations in that the effects of changes in the causal variables take time to play out-often significant amounts of time. In the model described here, wages track prices, but only after a distributed lag. Prices change whenever the money supply, aggregate output, or the velocity of circulation of money change, but only after a distributed lag. Similarly, the money supply depends on the supplies of domestic and foreign money, which depend on the monetary base and a variety of foreign transactions, respectively. The spreading of delays mitigates the shocks of sudden changes to important inputs, but the most important aspect of this model is that delays, which often have dramatic consequences in dynamic systems, are explicitly incorporated.macroeconomics, inflation, equation of exchange, non-equilibrium, Athena Project

  5. Extreme value modelling of Ghana stock exchange index.

    PubMed

    Nortey, Ezekiel N N; Asare, Kwabena; Mettle, Felix Okoe

    2015-01-01

    Modelling of extreme events has always been of interest in fields such as hydrology and meteorology. However, after the recent global financial crises, appropriate models for modelling of such rare events leading to these crises have become quite essential in the finance and risk management fields. This paper models the extreme values of the Ghana stock exchange all-shares index (2000-2010) by applying the extreme value theory (EVT) to fit a model to the tails of the daily stock returns data. A conditional approach of the EVT was preferred and hence an ARMA-GARCH model was fitted to the data to correct for the effects of autocorrelation and conditional heteroscedastic terms present in the returns series, before the EVT method was applied. The Peak Over Threshold approach of the EVT, which fits a Generalized Pareto Distribution (GPD) model to excesses above a certain selected threshold, was employed. Maximum likelihood estimates of the model parameters were obtained and the model's goodness of fit was assessed graphically using Q-Q, P-P and density plots. The findings indicate that the GPD provides an adequate fit to the data of excesses. The size of the extreme daily Ghanaian stock market movements were then computed using the value at risk and expected shortfall risk measures at some high quantiles, based on the fitted GPD model. PMID:26587364

  6. Modeling surfzone to inner-shelf tracer exchange

    NASA Astrophysics Data System (ADS)

    Hally-Rosendahl, Kai; Feddersen, Falk

    2016-06-01

    A near-shoreline, continuous dye release at an approximately alongshore-uniform beach (IB09 experiment) is simulated with the wave-resolving Boussinesq model funwaveC. The model generates surfzone eddies and transient rip currents but does not resolve inner-shelf vertical variation or stratification. The funwaveC model reproduces well the observed surfzone and inner-shelf dye observations over roughly 350 m cross-shore and 2 km alongshore. Dye is advected alongshore by wave- and wind-driven currents similarly in the observations and model. Near-shoreline mean dye concentration decays downstream as a power law with similar observed (-0.33) and modeled (-0.38) exponents. Observed and modeled cross-shore mean dye profiles are similar, though modeled inner-shelf dye is somewhat elevated. Observed and modeled alongshore dye transports agree, though with compensating surfzone and inner-shelf errors later in the release. For times <3.5 h (before observed and modeled dye advects beyond the model alongshore domain), observed and modeled dye budgets are similar to each other and close to within 10%, and half the observed and modeled dye is exported to the inner-shelf. Later in the release, surfzone and inner-shelf dye masses are under and overpredicted, respectively. Model-data differences may be due to the model's lack of vertical variation, stratification, or tide. The good overall model-data agreement indicates that nearshore tracer transport and dispersion are realistically simulated over 5 h and 2 km alongshore, and that the model transient rip currents accurately induce cross-shore exchange between the surfzone and inner-shelf.

  7. Modeling Urban Surface-Atmosphere Sensible Heat Exchanges

    NASA Astrophysics Data System (ADS)

    Roberts, S. M.; Oke, T.; Lemonsu, A.; Grimmond, C.; Jackson, P.

    2003-12-01

    Understanding the nature of energy partitioning at the surface of cities is prerequisite to gaining proper insight and ability to model their climatic environment and impacts. Of particular relevance in the urban setting is the surface-atmosphere exchange of sensible heat. The combined conductive-convective exchange of turbulent sensible heat flux (QH) and net storage heat flux (Δ QS) has been shown to account for over 90% of the daytime net radiation at highly urbanized sites. This relation depends on surface structure, materials and the degree of surface-atmosphere coupling and its understanding is required in many applications; for example, to assess building climates, and to model evapo-transpiration, the urban heat island, and boundary layer growth. Observational studies, while allowing for general awareness of urban surface-atmosphere energetic interactions, are often limited in their applicability to other urban sites and/or processes. To overcome this, numerical models which aim to simulate urban climates have been developed. The Town Energy Balance (TEB) model of Masson (2000) couples the micro- and meso- scales and accurately represents the urban energy budget in meso-scale atmospheric models. TEB uses local canyon geometry together with surface and substrate radiative, thermal, moisture and roughness properties to simulate the effects produced by the presence of buildings. The urban system is simulated by calculating individual energy balances for walls, roads, and roofs, which are then integrated to resolve the local-scale surface energy balance. The model has been independently evaluated using measured fluxes from three dry sites - central Mexico City, a light industrial site in Vancouver (Masson et al., 2002) and the city center of Marseille, France (Lemonsu et al., 2003). At these sites, TEB simulated net radiation to within less than 10 W m-2 and its partitioning into turbulent and storage heat fluxes to within a few tens of W -2. TEB's good

  8. Modelling world gold prices and USD foreign exchange relationship using multivariate GARCH model

    NASA Astrophysics Data System (ADS)

    Ping, Pung Yean; Ahmad, Maizah Hura Binti

    2014-12-01

    World gold price is a popular investment commodity. The series have often been modeled using univariate models. The objective of this paper is to show that there is a co-movement between gold price and USD foreign exchange rate. Using the effect of the USD foreign exchange rate on the gold price, a model that can be used to forecast future gold prices is developed. For this purpose, the current paper proposes a multivariate GARCH (Bivariate GARCH) model. Using daily prices of both series from 01.01.2000 to 05.05.2014, a causal relation between the two series understudied are found and a bivariate GARCH model is produced.

  9. Meson exchange current (MEC) models in neutrino interaction generators

    SciTech Connect

    Katori, Teppei

    2015-05-15

    Understanding of the so-called 2 particle-2 hole (2p-2h) effect is an urgent program in neutrino interaction physics for current and future oscillation experiments. Such processes are believed to be responsible for the event excesses observed by recent neutrino experiments. The 2p-2h effect is dominated by the meson exchange current (MEC), and is accompanied by a 2-nucleon emission from the primary vertex, instead of a single nucleon emission from the charged-current quasi-elastic (CCQE) interaction. Current and future high resolution experiments can potentially nail down this effect. For this reason, there are world wide efforts to model and implement this process in neutrino interaction simulations. In these proceedings, I would like to describe how this channel is modeled in neutrino interaction generators.

  10. Isotope exchange kinetics in metal hydrides I : TPLUG model.

    SciTech Connect

    Larson, Rich; James, Scott Carlton; Nilson, Robert H.

    2011-05-01

    A one-dimensional isobaric reactor model is used to simulate hydrogen isotope exchange processes taking place during flow through a powdered palladium bed. This simple model is designed to serve primarily as a platform for the initial development of detailed chemical mechanisms that can then be refined with the aid of more complex reactor descriptions. The one-dimensional model is based on the Sandia in-house code TPLUG, which solves a transient set of governing equations including an overall mass balance for the gas phase, material balances for all of the gas-phase and surface species, and an ideal gas equation of state. An energy equation can also be solved if thermodynamic properties for all of the species involved are known. The code is coupled with the Chemkin package to facilitate the incorporation of arbitrary multistep reaction mechanisms into the simulations. This capability is used here to test and optimize a basic mechanism describing the surface chemistry at or near the interface between the gas phase and a palladium particle. The mechanism includes reversible dissociative adsorptions of the three gas-phase species on the particle surface as well as atomic migrations between the surface and the bulk. The migration steps are more general than those used previously in that they do not require simultaneous movement of two atoms in opposite directions; this makes possible the creation and destruction of bulk vacancies and thus allows the model to account for variations in the bulk stoichiometry with isotopic composition. The optimization code APPSPACK is used to adjust the mass-action rate constants so as to achieve the best possible fit to a given set of experimental data, subject to a set of rigorous thermodynamic constraints. When data for nearly isothermal and isobaric deuterium-to-hydrogen (D {yields} H) and hydrogen-to-deuterium (H {yields} D) exchanges are fitted simultaneously, results for the former are excellent, while those for the latter show

  11. Enterprise Networks for Competences Exchange: A Simulation Model

    NASA Astrophysics Data System (ADS)

    Remondino, Marco; Pironti, Marco; Pisano, Paola

    A business process is a set of logically related tasks performed to achieve a defined business and related to improving organizational processes. Process innovation can happen at various levels: incrementally, redesign of existing processes, new processes. The knowledge behind process innovation can be shared, acquired, changed and increased by the enterprises inside a network. An enterprise can decide to exploit innovative processes it owns, thus potentially gaining competitive advantage, but risking, in turn, that other players could reach the same technological levels. Or it could decide to share it, in exchange for other competencies or money. These activities could be the basis for a network formation and/or impact the topology of an existing network. In this work an agent based model is introduced (E3), aiming to explore how a process innovation can facilitate network formation, affect its topology, induce new players to enter the market and spread onto the network by being shared or developed by new players.

  12. A Laboratory Exercise Using a Physical Model for Demonstrating Countercurrent Heat Exchange

    ERIC Educational Resources Information Center

    Loudon, Catherine; Davis-Berg, Elizabeth C.; Botz, Jason T.

    2012-01-01

    A physical model was used in a laboratory exercise to teach students about countercurrent exchange mechanisms. Countercurrent exchange is the transport of heat or chemicals between fluids moving in opposite directions separated by a permeable barrier (such as blood within adjacent blood vessels flowing in opposite directions). Greater exchange of…

  13. Computational fluid dynamics modeling of proton exchange membrane fuel cells

    SciTech Connect

    UM,SUKKEE; WANG,C.Y.; CHEN,KEN S.

    2000-02-11

    A transient, multi-dimensional model has been developed to simulate proton exchange membrane (PEM) fuel cells. The model accounts simultaneously for electrochemical kinetics, current distribution, hydrodynamics and multi-component transport. A single set of conservation equations valid for flow channels, gas-diffusion electrodes, catalyst layers and the membrane region are developed and numerically solved using a finite-volume-based computational fluid dynamics (CFD) technique. The numerical model is validated against published experimental data with good agreement. Subsequently, the model is applied to explore hydrogen dilution effects in the anode feed. The predicted polarization cubes under hydrogen dilution conditions are found to be in qualitative agreement with recent experiments reported in the literature. The detailed two-dimensional electrochemical and flow/transport simulations further reveal that in the presence of hydrogen dilution in the fuel stream, hydrogen is depleted at the reaction surface resulting in substantial kinetic polarization and hence a lower current density that is limited by hydrogen transport from the fuel stream to the reaction site.

  14. A heat transfer model of a horizontal ground heat exchanger

    NASA Astrophysics Data System (ADS)

    Mironov, R. E.; Shtern, Yu. I.; Shtern, M. Yu.; Rogachev, M. S.

    2016-04-01

    Ground-source heat pumps are gaining popularity in Eastern Europe, especially those which are using the horizontal ground heat exchanger (GHX). Due to the difficulty of accessing GHX after the installation, materials and the quality of the installation must satisfy the very high requirements. An inaccurate calculation of GHX can be the reason of a scarcity of heat power in a crucial moment. So far, there isn't any appropriate mathematical description of the horizontal GHX which takes into account the mutual influence of GHX pipes on each other. To solve this problem we used the temperature wave approach. As a result, a mathematical model which describes the dependence of the heat transfer rate per unit length of the horizontal GHX pipe on the thermal properties of soil, operating time of GHX and the distance between pipes was obtained. Using this model, heat transfer rates per unit length of a horizontal GHX were plotted as functions of the distance between pipes and operating time. The modeling shows that heat transfer rates decreases rapidly with the distance between pipes lower then 2 meters. After the launch of heat pump, heat power of GHX is reduced during the first 20 - 30 days and get steady after that. The obtained results correlate with experimental data. Therefore the proposed mathematical model can be used to design a horizontal GHX with the optimal characteristics, and predict its capability during operation.

  15. On eddy accumulation with limited conditional sampling to measure air-surface exchange

    SciTech Connect

    Wesely, M.L.; Hart, R.L.

    1994-01-01

    An analysis of turbulence data collected at a height of 12.3 m above grasslands was carried out to illustrate some of the limitations and possible improvements in methods to compute vertical fluxes of trace substances by the eddy accumulation technique with conditional sampling. The empirical coefficient used in the technique has a slight dependence on atmospheric stability, which can be minimized by using a threshold vertical velocity equal to approximately 0.75{sigma}{sub w}, below which chemical sampling is suspended. This protocol results in a smaller chemical sample but increases the differences in concentrations by approximately 70%. For effective conditional sampling when mass is being accumulated in a trap or reservoir, the time of sampling during updrafts versus downdrafts should be measured and used to adjust estimates of the mean concentrations.

  16. Ammonia air-surface exchange in an unfertilized hay field in the southeastern U.S.

    EPA Science Inventory

    There is growing interest in the U.S. to derive total nitrogen deposition budgets for natural environments in support of critical loads approaches for managing ecosystem health. The contribution of NH3 to nitrogen dry deposition currently represents a significant uncertainty in s...

  17. Antipersistent dynamics in kinetic models of wealth exchange

    NASA Astrophysics Data System (ADS)

    Goswami, Sanchari; Chatterjee, Arnab; Sen, Parongama

    2011-11-01

    We investigate the detailed dynamics of gains and losses made by agents in some kinetic models of wealth exchange. An earlier work suggested that a walk in an abstract gain-loss space can be conceived for the agents. For models in which agents do not save, or save with uniform saving propensity, the walk has diffusive behavior. For the case in which the saving propensity λ is distributed randomly (0≤λ<1), the resultant walk showed a ballistic nature (except at a particular value of λ*≈0.47). Here we consider several other features of the walk with random λ. While some macroscopic properties of this walk are comparable to a biased random walk, at microscopic level, there are gross differences. The difference turns out to be due to an antipersistent tendency toward making a gain (loss) immediately after making a loss (gain). This correlation is in fact present in kinetic models without saving or with uniform saving as well, such that the corresponding walks are not identical to ordinary random walks. In the distributed saving case, antipersistence occurs with a simultaneous overall bias.

  18. Quantifying near-surface water exchange to assess hydrometeorological models

    NASA Astrophysics Data System (ADS)

    Parent, Annie-Claude; Anctil, François; Morais, Anne

    2013-04-01

    Modelling water exchange from the lower atmosphere, crop and soil system using hydrometeorological models allows processing an actual evapotranspiration (ETa) which is a complex but critical value for numerous hydrological purposes e.g. hydrological modelling and crop irrigation. This poster presents a summary of the hydrometeorological research activity conducted by our research group. The first purpose of this research is to quantify ETa and drainage of a rainfed potato crop located in South-Eastern Canada. Then, the outputs of the hydrometeorological models under study are compared with the observed turbulent fluxes. Afterwards, the sensibility of the hydrometeorological models to different inputs is assessed for an environment under a changing climate. ETa was measured from micrometeorological instrumentation (CSAT3, Campbell SCI Inc.; Li7500, LiCor Inc.), and the eddy covariance techniques. Near surface soil heat flux and soil water content at different layers from 10 cm to 100 cm were also measured. Other parameters required by the hydrometeorological models were observed using meteorological standard instrumentation: shortwave and longwave solar radiation, wind speed, air temperature, atmospheric pressure and precipitation. The cumulative ETa during the growth season (123 days) was 331.5 mm, with a daily maximum of 6.5 mm at full coverage; precipitation was 350.6 mm which is rather small compared with the historical mean (563.3 mm). This experimentation allowed calculating crop coefficients that vary among the growth season for a rainfed potato crop. Land surface schemes as CLASS (Canadian Land Surface Scheme) and c-ISBA (a Canadian version of the model Interaction Sol-Biosphère-Atmosphère) are 1-D physical hydrometeorological models that produce turbulent fluxes (including ETa) for a given crop. The schemes performances were assessed for both energy and water balance, based on the resulting turbulent fluxes and the given observations. CLASS showed

  19. Reactive transport modeling of multicomponent cation exchange at the laboratory and field scale

    SciTech Connect

    Steefel, Carl I.

    2004-04-01

    Multicomponent ion exchange models have been successful in describing the chromatographic separation of cations in both laboratory and field settings. Their chief advantage lies in their ability to capture the competitive effects of other cations that may be present. By incorporating exchanger activity coefficients calculated on the basis of the Gibbs-Duhem equation applied to the exchanger phase, it is possible to correct for the non-ideality of exchange. The use of multiple exchange sites can also substantially improve the ability of the cation exchange models to describe adsorption and retardation. All of these benefits are associated with relatively little additional computational burden. Even where the cost of the multicomponent cation exchange calculations are considered too high, the models are useful in calculating distribution coefficients for the environmental conditions of interest.

  20. Modeling snow season controls on northern net ecosystem exchange

    NASA Astrophysics Data System (ADS)

    Luus, K. A.; Lin, J. C.; Kelly, R. E.

    2011-12-01

    Recent field studies have indicated that the timing of snow melt and snow fall, the quantity of snow, and soil temperature are important controls on snow season net ecosystem exchange (NEE). The low thermal conductivity of snow reduces soil heat loss, thereby enabling a greater rate of subnivean respiration under deeper snowpacks, whereas snow melt and snow fall alter the seasonal timing of photosynthetic uptake. Although a substantial portion of annual NEE in northern regions occurs during the snow season, model estimates have not previously included representations of snow season controls on NEE. The objective of this study was therefore to 1) incorporate remotely sensed estimates of snow water equivalent, soil temperature, and the timing of initial snow fall and final snow melt into model estimates of northern NEE; and 2) examine whether incorporating representations of key snow season variables reduces model uncertainty. NEE was estimated using the Vegetation Photosynthesis Respiration Model (VPRM), a simple diagnostic biosphere model that relies on a remote sensing based approach. Findings indicate that a potential exists to improve northern estimates of NEE by incorporating information on snow season controls from remote sensing observations. Soil respiration can be better assessed using soil temperature rather than surface air temperature. The influence of changes in snow water equivalent on soil temperature dynamics can be assessed using remotely sensed estimates of snow water equivalent. Incorporating remotely sensed estimates of snow cover area can improve the timing of seasonal changes in photosynthetic uptake. Furthermore, including snow season controls on northern NEE can enable experiments to be run analyzing the influence of changes in snowpack dynamics, the frequency of extreme winter warming events, and the timing of the snow season on northern NEE.

  1. Bayesian Analysis for Exponential Random Graph Models Using the Adaptive Exchange Sampler*

    PubMed Central

    Jin, Ick Hoon; Yuan, Ying; Liang, Faming

    2014-01-01

    Exponential random graph models have been widely used in social network analysis. However, these models are extremely difficult to handle from a statistical viewpoint, because of the intractable normalizing constant and model degeneracy. In this paper, we consider a fully Bayesian analysis for exponential random graph models using the adaptive exchange sampler, which solves the intractable normalizing constant and model degeneracy issues encountered in Markov chain Monte Carlo (MCMC) simulations. The adaptive exchange sampler can be viewed as a MCMC extension of the exchange algorithm, and it generates auxiliary networks via an importance sampling procedure from an auxiliary Markov chain running in parallel. The convergence of this algorithm is established under mild conditions. The adaptive exchange sampler is illustrated using a few social networks, including the Florentine business network, molecule synthetic network, and dolphins network. The results indicate that the adaptive exchange algorithm can produce more accurate estimates than approximate exchange algorithms, while maintaining the same computational efficiency. PMID:24653788

  2. Developing Sustainable International Library Exchange Programs: The CUNY-Shanghai Library Faculty Exchange Model

    ERIC Educational Resources Information Center

    Chao, Sheau-yueh J.; Evans, Beth; Phillips, Ryan; Polger, Mark Aaron; Posner, Beth; Sexton, Ellen

    2013-01-01

    This paper describes the City University of New York (CUNY)-Shanghai Librarian Faculty Exchange Program. By observing and working in academic library services at CUNY, Shanghai University (SU), and Shanghai Normal University (SNU), participants were able to teach and learn from their colleagues, bringing their experiences back to further share…

  3. THERMAL MODELING OF ION EXCHANGE COLUMNS WITH SPHERICAL RF RESIN

    SciTech Connect

    Lee, S.; King, W.

    2009-12-30

    Models have been developed to simulate the thermal performance of RF columns fully loaded with radioactive cesium. Temperature distributions and maximum temperatures across the column were calculated during Small Column Ion Exchange (SCIX) process upset conditions with a focus on implementation at Hanford. A two-dimensional computational modeling approach was taken to include conservative, bounding estimates for key parameters such that the results will provide the maximum centerline temperatures achievable under the design configurations using a feed composition known to promote high cesium loading on RF. The current full-scale design for the SCIX system includes a central cooling tube, and one objective of these calculations was to examine its elimination to simplify the design. Results confirmed that a column design without a central cooling tube is feasible for RF, allowing for the possibility of significant design simplifications if it can be assumed that the columns are always filled with liquid. With active cooling through the four outer tubes, the maximum column diameter expected to maintain the temperature below the assumed media and safety limits is 26 inches, which is comparable to the current design diameter. Additional analysis was conducted to predict the maximum column temperatures for the previously unevaluated accident scenario involving inadvertent drainage of liquid from a cesium-saturated column, with retention of the ion exchange media and cesium in the column. As expected, much higher maximum temperatures are observed in this case due to the poor heat transfer properties of air versus liquid. For this hypothetical accident scenario involving inadvertent and complete drainage of liquid from a cesium-saturated column, the modeling results indicate that the maximum temperature within a 28 inch diameter RF column with external cooling is expected to exceed 250 C within 2 days, while the maximum temperature of a 12 inch column is maintained below

  4. Numerical Modelling of Circulation and Exchange through Singapore Straits

    NASA Astrophysics Data System (ADS)

    Liu, G.; Xu, M.; Chua, V. P.

    2014-12-01

    The circulation in the Singapore coastal region is complicated and influenced by the combination of tidal forcing of the surrounding seas, complex bathymetry, irregular coastlines, and seasonal monsoon and local winds. An unstructured-grid SUNTANS (Stanford Unstructured Nonhydrostatic Terrain-following Adaptive Navier-Stokes Simulator) model is employed to perform three-dimensional simulations of flow in Singapore coastal waters. The unstructured-grid has an average resolution of 50 - 100 m around Singapore and in areas close to the shoreline, while a coarse grid resolution is employed in the open waters. The model is tidally forced at the three open boundaries, located to the west, south and east of Singapore, using the 8 main tidal constituents as derived from the OSU Tidal Prediction Software (OTPS). A detailed calibration is performed, and the model-predicted water levels and currents compare well with observed data throughout the model domain. We examine the individual and combined effects of tidal and wind forcing by performing simulations with (1) tides only, (2) winds only and (3) both tides and wind. The exchange through Singapore Strait is investigated by computing volume fluxes and transport pathways at four transects, namely the Malacca Strait, Java Sea, South China Sea and Singapore transects. The transport pathways are computed by releasing particles on each side of the transects, and identifying the spatial distribution of the particles over one tidal cycle. Our results show that tidal forcing is predominant in Singapore Strait, and wind forcing is an important mechanism during the monsoon season. The residual effects, attributed to nonlinear interactions between tidal and wind forcing, is dominant during the inter-monsoon season.

  5. ESTIMATING GASEOUS EXCHANGES BETWEEN THE ATMOSPHERE AND PLANTS USING A COUPLED BIOCHEMICAL DRY DEPOSITION MODEL

    EPA Science Inventory

    To study gaseous exchanges between the soil, biosphere and atmosphere, a biochemical model was coupled with the latest version of Meyers Multi-Layer Deposition Model. The biochemical model describes photosynthesis and respiration and their coupling with stomatal resistance for...

  6. Low GWP Refrigerants Modelling Study for a Room Air Conditioner Having Microchannel Heat Exchangers

    SciTech Connect

    Shen, Bo; Bhandari, Mahabir S

    2016-01-01

    Microchannel heat exchangers (MHX) have found great successes in residential and commercial air conditioning applications, being compact heat exchangers, to reduce refrigerant charge and material cost. This investigation aims to extend the application of MHXs in split, room air conditioners (RAC), per fundamental heat exchanger and system modelling. For this paper, microchannel condenser and evaporator models were developed, using a segment-to-segment modelling approach. The microchannel heat exchanger models were integrated to a system design model. The system model is able to predict the performance indices, such as cooling capacity, efficiency, sensible heat ratio, etc. Using the calibrated system and heat exchanger models, we evaluated numerous low GWP (global warming potential) refrigerants. The predicted system performance indices, e.g. cooling efficiency, compressor discharge temperature, and required compressor displacement volume etc., are compared. Suitable replacements for R22 and R-410A for the room air conditioner application are recommended.

  7. The contrast model method for the thermodynamical calculation of air-air wet heat exchanger

    NASA Astrophysics Data System (ADS)

    Yuan, Xiugan; Mei, Fang

    1989-02-01

    The 'contrast model' method thermodynamic calculation of air-air crossflow wet heat exchangers with initial air condensation is presented. Contrast-model equations are derived from the actual heat exchanger equations as well as imaginary ones; it is then possible to proceed to a proof that the enthalpy efficiency of the contrast model equations is similar to the temperature efficiency of the dry heat exchanger. Conditions are noted under which it becomes possible to unify thermodynamic calculations for wet and dry heat exchangers.

  8. DETAILED LOOP MODEL (DLM) ANALYSIS OF LIQUID SOLAR THERMOSIPHONS WITH HEAT EXCHANGERS

    SciTech Connect

    Mertol, A.; Place, W.; Webster, T.; Greif, R.

    1981-06-01

    An analytical Detailed Loop Model (DLM) has been developed to analyze the performance of solar thermosiphon water heaters with heat exchangers in storage tanks. The model has been used to study the performance of thermosiphons as a function of heat exchanger characteristics, heat transfer fluids, flow resistances, tank stratification, and tank elevation relative to the collector. The results indicate that good performance can be attained with these systems compared to thermosiphons without heat exchangers.

  9. Simulating Replica Exchange: Markov State Models, Proposal Schemes, and the Infinite Swapping Limit.

    PubMed

    Zhang, Bin W; Dai, Wei; Gallicchio, Emilio; He, Peng; Xia, Junchao; Tan, Zhiqiang; Levy, Ronald M

    2016-08-25

    Replica exchange molecular dynamics is a multicanonical simulation technique commonly used to enhance the sampling of solvated biomolecules on rugged free energy landscapes. While replica exchange is relatively easy to implement, there are many unanswered questions about how to use this technique most efficiently, especially because it is frequently the case in practice that replica exchange simulations are not fully converged. A replica exchange cycle consists of a series of molecular dynamics steps of a set of replicas moving under different Hamiltonians or at different thermodynamic states followed by one or more replica exchange attempts to swap replicas among the different states. How the replica exchange cycle is constructed affects how rapidly the system equilibrates. We have constructed a Markov state model of replica exchange (MSMRE) using long molecular dynamics simulations of a host-guest binding system as an example, in order to study how different implementations of the replica exchange cycle can affect the sampling efficiency. We analyze how the number of replica exchange attempts per cycle, the number of MD steps per cycle, and the interaction between the two parameters affects the largest implied time scale of the MSMRE simulation. The infinite swapping limit is an important concept in replica exchange. We show how to estimate the infinite swapping limit from the diagonal elements of the exchange transition matrix constructed from MSMRE "simulations of simulations" as well as from relatively short runs of the actual replica exchange simulations.

  10. Numerical modeling of compact high temperature heat exchanger and chemical decomposer for hydrogen production

    NASA Astrophysics Data System (ADS)

    Ponyavin, Valery; Chen, Yitung; Hechanova, Anthony E.; Wilson, Merrill

    2008-09-01

    The present study addresses fluid flow and heat transfer in a high temperature compact heat exchanger which will be used as a chemical decomposer in a hydrogen production plant. The heat exchanger is manufactured using fused ceramic layers that allow creation of channels with dimensions below 1 mm. The main purpose of this study is to increase the thermal performance of the heat exchanger, which can help to increase the sulfuric acid decomposition rate. Effects of various channel geometries of the heat exchanger on the pressure drop are studied as well. A three-dimensional computational model is developed for the investigation of fluid flow and heat transfer in the heat exchanger. Several different geometries of the heat exchanger channels, such as straight channels, ribbed ground channels, hexagonal channels, and diamond-shaped channels are examined. Based on the results, methods on how to improve the design of the heat exchanger are recommended.

  11. Theoretical modelling of exchange interactions in metal-phthalocyanines

    NASA Astrophysics Data System (ADS)

    Wu, Wei; Fisher, Andrew; Harrison, Nic; Serri, Michele; Wu, Zhenlin; Heutz, Sandrine; Jones, Tim; Aeppli, Gabriel

    2012-02-01

    The theoretical understanding of exchange interactions in organics provides a key foundation for quantum molecular magnetism. Recent SQUID magnetometry of a well know organic semiconductor, copper-phthalocyanine [1,2] (CuPc) shows that it forms quasi-one-dimensional spin chains. Green's function perturbation theory calculation [3] is used to find the dominant exchange mechanism. Hybrid density functional theory simulations [4] give a quantitative insight to exchange interactions and electronic structures. Both calculations are performed for different stacking and sliding angles for lithium-Pc, cobalt-Pc, chromium-Pc, and copper-Pc. The exchange interactions depend strongly on stacking angles, but weakly on sliding angles. Our results qualitatively agree with the experiments, and remarkably α-cobalt-Pc has a very large exchange above liquid-Nitrogen temperature. Our theoretical predictions on the exchange interactions can guide experimentalists to design novel organic semiconductors. [0pt] [1] S. Heutz, et. al., Adv. Mat., 19, 3618 (2007) [2] Hai Wang, et. al., ACS Nano, 4, 3921 (2010) [3] Wei Wu, et. al., Phys. Rev. B 77, 184403 (2008) [4] Wei Wu, et. al., Phys. Rev. B 84, 024427 (2011)

  12. Dynamic modeling of tube-support interaction in heat exchangers

    NASA Astrophysics Data System (ADS)

    Azizian, Reza

    Flow-induced forces in heat exchangers can cause excessive tube vibration and interaction with their supports. Long term interaction may develop fretting-wear and consequently lead to tube failures. An accurate prediction of the tube-support interaction behavior is important to quantify tube fretting-wear. Therefore, a detailed study of the related friction and impact forces is required for formulating a precise wear model. This study aimed to develop a friction model for accurate representations of various states of the friction process, including elastic, plastic and partial slipping states. In addition, the tube-support impact model is verified both numerically and experimentally. A hybrid spring-damper rate dependent friction model was developed to precisely simulate the friction process from zero velocity to the gross slip state. This was achieved by considering various physical phenomena during the friction process including the Stribeck effect, varying break-away force, bristle elastic, plastic and partial-slipping behaviors. The slipping time in the velocity-limited friction model was compared to the LuGre friction model. The inability of the velocity limited friction model to detect the sticking region was explained by the dependency of a limiting velocity criterion on the varying break-away force and the Stribeck effect. This confirmed the importance of having an adaptive limiting velocity for the velocity limited friction model. In addition, the stress distribution within the contact region was studied in detail to demarcate different regions within a contact area during the friction process. This analysis attributed a physical meaning to each component of the new hybrid friction model. The ability of the hybrid model to accurately reproduce stick-slip behavior was examined using the Ozaki and Hashiguchi friction model and the Baumberger et al. experimental tests. The result showed better estimation of the stick-slip behavior, both qualitatively and

  13. Universal model for water costs of gas exchange by animals and plants.

    PubMed

    Woods, H Arthur; Smith, Jennifer N

    2010-05-01

    For terrestrial animals and plants, a fundamental cost of living is water vapor lost to the atmosphere during exchange of metabolic gases. Here, by bringing together previously developed models for specific taxa, we integrate properties common to all terrestrial gas exchangers into a universal model of water loss. The model predicts that water loss scales to gas exchange with an exponent of 1 and that the amount of water lost per unit of gas exchanged depends on several factors: the surface temperature of the respiratory system near the outside of the organism, the gas consumed (oxygen or carbon dioxide), the steepness of the gradients for gas and vapor, and the transport mode (convective or diffusive). Model predictions were largely confirmed by data on 202 species in five taxa--insects, birds, bird eggs, mammals, and plants--spanning nine orders of magnitude in rate of gas exchange. Discrepancies between model predictions and data seemed to arise from biologically interesting violations of model assumptions, which emphasizes how poorly we understand gas exchange in some taxa. The universal model provides a unified conceptual framework for analyzing exchange-associated water losses across taxa with radically different metabolic and exchange systems.

  14. Preliminary Assessment of Mercury Atmosphere-Surface Exchange Parameterizations for Incorporation into Chemical Transport Models

    NASA Astrophysics Data System (ADS)

    Khan, T.; Agnan, Y.; Obrist, D.; Selin, N. E.; Urban, N. R.; Wu, S.; Perlinger, J. A.

    2015-12-01

    Inadequate representation of process-based mechanisms of exchange behavior of elemental mercury (Hg0) and decoupled treatment of deposition and emission are two major limitations of parameterizations of atmosphere-surface exchange flux commonly incorporated into chemical transport models (CTMs). Of nineteen CTMs for Hg0 exchange we reviewed (ten global, nine regional), eight global and seven regional models have decoupled treatment of Hg0 deposition and emission, two global models include no parameterization to account for emission, and the remaining two regional models include coupled deposition and emission parameterizations (i.e., net atmosphere-surface exchange). The performance of atmosphere-surface exchange parameterizations in CTMs depends on parameterization uncertainty (in terms of both accuracy and precision) and feasibility of implementation. We provide a comparison of the performance of three available parameterizations of net atmosphere-surface exchange. To evaluate parameterization accuracy, we compare predicted exchange fluxes to field measurements conducted over a variety of surfaces compiled in a recently developed global database of terrestrial Hg0 surface-atmosphere exchange flux measurements. To assess precision, we estimate the sensitivity of predicted fluxes to the imprecision in parameter input values, and compare this sensitivity to that derived from analysis of the global Hg0 flux database. Feasibility of implementation is evaluated according to the availability of input parameters, computational requirements, and the adequacy of uncertainty representation. Based on this assessment, we provide suggestions for improved treatment of Hg0 net exchange processes in CTMs.

  15. Numerical modeling transport phenomena in proton exchange membrane fuel cells

    NASA Astrophysics Data System (ADS)

    Suh, DongMyung

    To study the coupled phenomena occurring in proton exchange membrane fuel cells, a two-phase, one-dimensional, non-isothermal model is developed in the chapter 1. The model includes water phase change, proton transport in the membrane and electro-osmotic effect. The thinnest, but most complex layer in the membrane electrode assembly, catalyst layer, is considered an interfacial boundary between the gas diffusion layer and the membrane. Mass and heat transfer and electro-chemical reaction through the catalyst layer are formulated into equations, which are applied to boundary conditions for the gas diffusion layer and the membrane. Detail accounts of the boundary equations and the numerical solving procedure used in this work are given. The polarization curve is calculated at different oxygen pressures and compared with the experimental results. When the operating condition is changed along the polarization curve, the change of physicochemical variables in the membrane electrode assembly is studied. In particular, the over-potential diagram presents the usage of the electrochemical energy at each layer of the membrane electrode assembly. Humidity in supplying gases is one of the most important factors to consider for improving the performance of PEMFE. Both high and low humidity conditions can result in a deteriorating cell performance. The effect of humidity on the cell performance is studied in the chapter 2. First, a numerical model based on computational fluid dynamics is developed. Second, the cell performances are simulated, when the relative humidity is changed from 0% to 100% in the anode and the cathode channel. The simulation results show how humidity in the reactant gases affects the water content distribution in the membrane, the over-potential at the catalyst layers and eventually the cell performance. In particular, the rapid enhancement in the cell performance caused by self-hydrating membrane is captured by the simulation. Fully humidifying either H2

  16. The American Foreign Exchange Option in Time-Dependent One-Dimensional Diffusion Model for Exchange Rate

    SciTech Connect

    Rehman, Nasir Shashiashvili, Malkhaz

    2009-06-15

    The classical Garman-Kohlhagen model for the currency exchange assumes that the domestic and foreign currency risk-free interest rates are constant and the exchange rate follows a log-normal diffusion process.In this paper we consider the general case, when exchange rate evolves according to arbitrary one-dimensional diffusion process with local volatility that is the function of time and the current exchange rate and where the domestic and foreign currency risk-free interest rates may be arbitrary continuous functions of time. First non-trivial problem we encounter in time-dependent case is the continuity in time argument of the value function of the American put option and the regularity properties of the optimal exercise boundary. We establish these properties based on systematic use of the monotonicity in volatility for the value functions of the American as well as European options with convex payoffs together with the Dynamic Programming Principle and we obtain certain type of comparison result for the value functions and corresponding exercise boundaries for the American puts with different strikes, maturities and volatilities.Starting from the latter fact that the optimal exercise boundary curve is left continuous with right-hand limits we give a mathematically rigorous and transparent derivation of the significant early exercise premium representation for the value function of the American foreign exchange put option as the sum of the European put option value function and the early exercise premium.The proof essentially relies on the particular property of the stochastic integral with respect to arbitrary continuous semimartingale over the predictable subsets of its zeros. We derive from the latter the nonlinear integral equation for the optimal exercise boundary which can be studied by numerical methods.

  17. Open exchange as a model for continuing education.

    PubMed

    Murphy, Margaret M; De Back, Vivien; Bunkers, Sandra; Koerner, JoEllen; McBeth, Annette; Papenhausen, Judith; Burgess, Constance; Michaels, Cathleen; Ethridge, Phyllis

    2004-01-01

    The Global Nursing Exchange is a unique, annual opportunity for a select group of nurses to confer with each other and learn in an unstructured, nonrestrictive forum for free uncensored exchange of ideas. It is an unusual "conference" in that both the structure and process have been designed to encourage spontaneity, creativity, and group sharing. Relaxation and work comingle. Networking, dialog, and inclusiveness are operating themes at all times. Started in 1988 by 9 nurses with a mix of backgrounds and experience, the Global Nursing Exchange has expanded to include international participants. In 2003, over 60 nurses joined in celebrating the 15th year of this group gathering. Examples of outcomes that have resulted from this unique "conferencing" experience are described. PMID:14986501

  18. Performance analysis of distributed and centralized models for electronic medical record exchanges.

    PubMed

    Huang, Ean-Wen; Lee, Chiung-San; Jiang, Wey-Wen; Chiou, Shwu-Fen; Liu, Fei-Ying; Liou, Der-Ming

    2007-01-01

    Electronic medical record exchanges can save time and reduce cost by eliminating redundant data and typing errors. The major steps of record exchange consist of querying information from database, encoding data into messages, and sending and decoding messages. Three medical-record-exchange models were proposed in the past, including the distributed, centralized, and indexed models. In this paper, the queuing theory is applied to evaluate the performance of the three models. We estimate the service time for each queue of the CPU, database and network, and predict the response time, probable bottlenecks and system capacities of each model.

  19. Phenomenological Behavior-Exchange Models of Marital Success.

    ERIC Educational Resources Information Center

    Gottman, John; And Others

    The objective of two studies was to devise an assessment procedure for the evaluation of therapy with distressed marriages. An extension of behavior exchange theory was proposed to include phenomenological ratings by the couple of the intent of messages sent and the impact of messages received. Convergent criteria were used to select 14…

  20. Application of models for exchange of electronic documents in complex administrative services

    NASA Astrophysics Data System (ADS)

    Glavev, Victor

    2015-11-01

    The report presents application of models for exchange of electronic documents between different administrations in government and business sectors. It shows the benefits of implementing electronic exchange of documents between different local offices of one administration in government sector such as a municipality and the way it is useful for implementing complex administrative services.

  1. The Development of Community-Based Health Information Exchanges: A Comparative Assessment of Organizational Models

    ERIC Educational Resources Information Center

    Champagne, Tiffany

    2013-01-01

    The purpose of this dissertation research was to critically examine the development of community-based health information exchanges (HIEs) and to comparatively analyze the various models of exchanges in operation today nationally. Specifically this research sought to better understand several aspects of HIE: policy influences, organizational…

  2. Application of models for exchange of electronic documents in complex administrative services

    SciTech Connect

    Glavev, Victor

    2015-11-30

    The report presents application of models for exchange of electronic documents between different administrations in government and business sectors. It shows the benefits of implementing electronic exchange of documents between different local offices of one administration in government sector such as a municipality and the way it is useful for implementing complex administrative services.

  3. Inkjet patterned superhydrophobic paper for open-air surface microfluidic devices.

    PubMed

    Elsharkawy, Mohamed; Schutzius, Thomas M; Megaridis, Constantine M

    2014-03-21

    We present a facile approach for the fabrication of low-cost surface biomicrofluidic devices on superhydrophobic paper created by drop-casting a fluoroacrylic copolymer onto microtextured paper. Wettability patterning is performed with a common household printer, which produces regions of varying wettability by simply controlling the intensity of ink deposited over prespecified domains. The procedure produces surfaces that are capable of selective droplet sliding and adhesion, when inclined. Using this methodology, we demonstrate the ability to tune the sliding angles of 10 μL water droplets in the range from 13° to 40° by printing lines of constant ink intensity and varied width from 0.1 mm to 2 mm. We also formulate a simple model to predict the onset of droplet sliding on printed lines of known width and wettability. Experiments demonstrate open-air surface microfluidic devices that are capable of pumpless transport, mixing and rapid droplet sampling (~0.6 μL at 50 Hz). Lastly, post treatment of printed areas with pH indicator solutions exemplifies the utility of these substrates in point-of-care diagnostics, which are needed at geographical locations where access to sophisticated testing equipment is limited or non-existent.

  4. Results of mathematical modelling the kinetics of gaseous exchange through small channels in micro dischargers

    NASA Astrophysics Data System (ADS)

    Bushin, S. A.

    2016-07-01

    Results obtained using mathematical calculating models for physical processes of gaseous exchange through low-conductivity channels in the sealed envelopes of dischargers for various flow modes of indicative working gas are presented.

  5. Estimation of Global 1km-grid Terrestrial Carbon Exchange Part I: Developing Inputs and Modelling

    NASA Astrophysics Data System (ADS)

    Sasai, T.; Murakami, K.; Kato, S.; Matsunaga, T.; Saigusa, N.; Hiraki, K.

    2015-12-01

    Global terrestrial carbon cycle largely depends on a spatial pattern in land cover type, which is heterogeneously-distributed over regional and global scales. However, most studies, which aimed at the estimation of carbon exchanges between ecosystem and atmosphere, remained within several tens of kilometers grid spatial resolution, and the results have not been enough to understand the detailed pattern of carbon exchanges based on ecological community. Improving the sophistication of spatial resolution is obviously necessary to enhance the accuracy of carbon exchanges. Moreover, the improvement may contribute to global warming awareness, policy makers and other social activities. In this study, we show global terrestrial carbon exchanges (net ecosystem production, net primary production, and gross primary production) with 1km-grid resolution. As methodology for computing the exchanges, we 1) developed a global 1km-grid climate and satellite dataset based on the approach in Setoyama and Sasai (2013); 2) used the satellite-driven biosphere model (Biosphere model integrating Eco-physiological And Mechanistic approaches using Satellite data: BEAMS) (Sasai et al., 2005, 2007, 2011); 3) simulated the carbon exchanges by using the new dataset and BEAMS by the use of a supercomputer that includes 1280 CPU and 320 GPGPU cores (GOSAT RCF of NIES). As a result, we could develop a global uniform system for realistically estimating terrestrial carbon exchange, and evaluate net ecosystem production in each community level; leading to obtain highly detailed understanding of terrestrial carbon exchanges.

  6. Knowledge based system for runtime controlling of multiscale model of ion-exchange solvent extraction

    NASA Astrophysics Data System (ADS)

    Macioł, Piotr; Gotfryd, Leszek; Macioł, Andrzej

    2012-09-01

    The hereby paper concerns the issue of solution of runtime controlling of multiscale model of ion-exchange solvent extraction. It is based on cooperation of a framework applying Agile Multiscale Modeling Methodology (AM3), and the REBIT Knowledge Based System. Ion-exchange solvent extraction has been shortly introduced. Design assumptions of AM3 and theoretical basis of REBIT have been described. Designed workflows and rules for simple laminar/ turbulent flow and extraction processes have been shown.

  7. Modelling exchange bias with MuMax3

    NASA Astrophysics Data System (ADS)

    De Clercq, Jonas; Vansteenkiste, Arne; Abes, Medjid; Temst, Kristiaan; Van Waeyenberge, Bartel

    2016-11-01

    The unidirectional shift of the hysteresis loop and the athermal training effect are two key features of the exchange bias phenomenon in most polycrystalline FM/AFM bilayers. We show that, by using MuMax3 which is an open source micromagnetic simulation program, we are able to reproduce experimental data (bias field and coercivity) for a polycrystalline Co/CoO bilayer. We also demonstrate that rotatable uncompensated spins can be responsible for the athermal training effect and that the reversal mechanism between the ascending and descending branch in the first hysteresis loop can be different, as has frequently been noticed in experiments.

  8. Ignition calculations using a reduced coupled-mode electron- ion energy exchange model*

    NASA Astrophysics Data System (ADS)

    Garbett, W. J.; Chapman, D. A.

    2016-03-01

    Coupled-mode models for electron-ion energy exchange can predict large deviations from standard binary collision models in some regimes. A recently developed reduced coupled-mode model for electron-ion energy exchange, which accurately reproduces full numerical results over a wide range of density and temperature space, has been implemented in the Nym hydrocode and used to assess the impact on ICF capsule fuel assembly and performance. Simulations show a lack of sensitivity to the model, consistent with results from a range of simpler alternative models. Since the coupled-mode model is conceptually distinct to models based on binary collision theory, this result provides increased confidence that uncertainty in electron-ion energy exchange will not impact ignition attempts.

  9. A simplified model of heat transfer in heat exchangers and stack plates of thermoacoustic refrigerators

    NASA Astrophysics Data System (ADS)

    Herman, Cila; Chen, Yuwen

    2006-08-01

    A simplified model of heat transfer was developed to investigate the thermal behavior of heat exchangers and stack plates of thermoacoustic devices. The model took advantage of previous results describing the thermal behavior of the thermoacoustic core and heat transfer in oscillating flow to study the performance of heat exchangers attached to the core. The configuration considered is a flat tube (with a working fluid flowing in the tube) of the thickness of the stack plate attached to both ends of the stack plate. Geometrical and operational parameters as well as thermophysical properties of the heat exchangers, transport fluids in the heat exchangers, stack plate and the thermoacoustic working fluid were organized into dimensionless groups that allowed accounting for their impact on the performance of the heat exchangers. Two types of thermal boundary conditions were considered: constant temperature and constant heat flux along the heat exchanger tubes. Numerical simulations were carried out with the model introduced in the paper. The temperature distributions and heat fluxes near the edge of the stack plate were found to be nonlinear. The influence of system parameters on the thermal performance of the heat exchangers was analyzed.

  10. Bi-directional exchange of ammonia in a pine forest ecosystem - a model sensitivity analysis

    NASA Astrophysics Data System (ADS)

    Moravek, Alexander; Hrdina, Amy; Murphy, Jennifer

    2016-04-01

    Ammonia (NH3) is a key component in the global nitrogen cycle and of great importance for atmospheric chemistry, neutralizing atmospheric acids and leading to the formation of aerosol particles. For understanding the role of NH3 in both natural and anthropogenically influenced environments, the knowledge of processes regulating its exchange between ecosystems and the atmosphere is essential. A two-layer canopy compensation point model is used to evaluate the NH3 exchange in a pine forest in the Colorado Rocky Mountains. The net flux comprises the NH3 exchange of leaf stomata, its deposition to leaf cuticles and exchange with the forest ground. As key parameters the model uses in-canopy NH3 mixing ratios as well as leaf and soil emission potentials measured at the site in summer 2015. A sensitivity analysis is performed to evaluate the major exchange pathways as well as the model's constraints. In addition, the NH3 exchange is examined for an extended range of environmental conditions, such as droughts or varying concentrations of atmospheric pollutants, in order to investigate their influence on the overall net exchange.

  11. Pharmacometrics Markup Language (PharmML): Opening New Perspectives for Model Exchange in Drug Development.

    PubMed

    Swat, M J; Moodie, S; Wimalaratne, S M; Kristensen, N R; Lavielle, M; Mari, A; Magni, P; Smith, M K; Bizzotto, R; Pasotti, L; Mezzalana, E; Comets, E; Sarr, C; Terranova, N; Blaudez, E; Chan, P; Chard, J; Chatel, K; Chenel, M; Edwards, D; Franklin, C; Giorgino, T; Glont, M; Girard, P; Grenon, P; Harling, K; Hooker, A C; Kaye, R; Keizer, R; Kloft, C; Kok, J N; Kokash, N; Laibe, C; Laveille, C; Lestini, G; Mentré, F; Munafo, A; Nordgren, R; Nyberg, H B; Parra-Guillen, Z P; Plan, E; Ribba, B; Smith, G; Trocóniz, I F; Yvon, F; Milligan, P A; Harnisch, L; Karlsson, M; Hermjakob, H; Le Novère, N

    2015-06-01

    The lack of a common exchange format for mathematical models in pharmacometrics has been a long-standing problem. Such a format has the potential to increase productivity and analysis quality, simplify the handling of complex workflows, ensure reproducibility of research, and facilitate the reuse of existing model resources. Pharmacometrics Markup Language (PharmML), currently under development by the Drug Disease Model Resources (DDMoRe) consortium, is intended to become an exchange standard in pharmacometrics by providing means to encode models, trial designs, and modeling steps. PMID:26225259

  12. The Influence on CMAQ Modeled Wet and Dry Deposition of Advances in the CMAQ Systems for Meteorology and Emissions

    EPA Science Inventory

    Process level improvements in the CMAQ system have been made to WRF meteorology, national ammonia emission profiles, and CMAQ ammonia air-surface exchange. An incremental study was conducted to quantify the impact of individual and combined changes on modeled inorganic depositio...

  13. Modeling net ecosystem carbon exchange of alpine grasslands with a satellite-driven model.

    PubMed

    Yan, Wei; Hu, Zhongmin; Zhao, Yuping; Zhang, Xianzhou; Fan, Yuzhi; Shi, Peili; He, Yongtao; Yu, Guirui; Li, Yingnian

    2015-01-01

    Estimate of net ecosystem carbon exchange (NEE) between the atmosphere and terrestrial ecosystems, the balance of gross primary productivity (GPP) and ecosystem respiration (Reco) has significant importance for studying the regional and global carbon cycles. Using models driven by satellite data and climatic data is a promising approach to estimate NEE at regional scales. For this purpose, we proposed a semi-empirical model to estimate NEE in this study. In our model, the component GPP was estimated with a light response curve of a rectangular hyperbola. The component Reco was estimated with an exponential function of soil temperature. To test the feasibility of applying our model at regional scales, the temporal variations in the model parameters derived from NEE observations in an alpine grassland ecosystem on Tibetan Plateau were investigated. The results indicated that all the inverted parameters exhibit apparent seasonality, which is in accordance with air temperature and canopy phenology. In addition, all the parameters have significant correlations with the remote sensed vegetation indexes or environment temperature. With parameters estimated with these correlations, the model illustrated fair accuracy both in the validation years and at another alpine grassland ecosystem on Tibetan Plateau. Our results also indicated that the model prediction was less accurate in drought years, implying that soil moisture is an important factor affecting the model performance. Incorporating soil water content into the model would be a critical step for the improvement of the model. PMID:25849325

  14. Modeling Net Ecosystem Carbon Exchange of Alpine Grasslands with a Satellite-Driven Model

    PubMed Central

    Zhao, Yuping; Zhang, Xianzhou; Fan, Yuzhi; Shi, Peili; He, Yongtao; Yu, Guirui; Li, Yingnian

    2015-01-01

    Estimate of net ecosystem carbon exchange (NEE) between the atmosphere and terrestrial ecosystems, the balance of gross primary productivity (GPP) and ecosystem respiration (Reco) has significant importance for studying the regional and global carbon cycles. Using models driven by satellite data and climatic data is a promising approach to estimate NEE at regional scales. For this purpose, we proposed a semi-empirical model to estimate NEE in this study. In our model, the component GPP was estimated with a light response curve of a rectangular hyperbola. The component Reco was estimated with an exponential function of soil temperature. To test the feasibility of applying our model at regional scales, the temporal variations in the model parameters derived from NEE observations in an alpine grassland ecosystem on Tibetan Plateau were investigated. The results indicated that all the inverted parameters exhibit apparent seasonality, which is in accordance with air temperature and canopy phenology. In addition, all the parameters have significant correlations with the remote sensed vegetation indexes or environment temperature. With parameters estimated with these correlations, the model illustrated fair accuracy both in the validation years and at another alpine grassland ecosystem on Tibetan Plateau. Our results also indicated that the model prediction was less accurate in drought years, implying that soil moisture is an important factor affecting the model performance. Incorporating soil water content into the model would be a critical step for the improvement of the model. PMID:25849325

  15. Modeling net ecosystem carbon exchange of alpine grasslands with a satellite-driven model.

    PubMed

    Yan, Wei; Hu, Zhongmin; Zhao, Yuping; Zhang, Xianzhou; Fan, Yuzhi; Shi, Peili; He, Yongtao; Yu, Guirui; Li, Yingnian

    2015-01-01

    Estimate of net ecosystem carbon exchange (NEE) between the atmosphere and terrestrial ecosystems, the balance of gross primary productivity (GPP) and ecosystem respiration (Reco) has significant importance for studying the regional and global carbon cycles. Using models driven by satellite data and climatic data is a promising approach to estimate NEE at regional scales. For this purpose, we proposed a semi-empirical model to estimate NEE in this study. In our model, the component GPP was estimated with a light response curve of a rectangular hyperbola. The component Reco was estimated with an exponential function of soil temperature. To test the feasibility of applying our model at regional scales, the temporal variations in the model parameters derived from NEE observations in an alpine grassland ecosystem on Tibetan Plateau were investigated. The results indicated that all the inverted parameters exhibit apparent seasonality, which is in accordance with air temperature and canopy phenology. In addition, all the parameters have significant correlations with the remote sensed vegetation indexes or environment temperature. With parameters estimated with these correlations, the model illustrated fair accuracy both in the validation years and at another alpine grassland ecosystem on Tibetan Plateau. Our results also indicated that the model prediction was less accurate in drought years, implying that soil moisture is an important factor affecting the model performance. Incorporating soil water content into the model would be a critical step for the improvement of the model.

  16. Foundation heat exchangers for residential ground source heat pump systems Numerical modeling and experimental validation

    SciTech Connect

    Xing, Lu; Cullin, James; Spitler, Jeffery; Im, Piljae; Fisher, Daniel

    2011-01-01

    A new type of ground heat exchanger that utilizes the excavation often made for basements or foundations has been proposed as an alternative to conventional ground heat exchangers. This article describes a numerical model that can be used to size these foundation heat exchanger (FHX) systems. The numerical model is a two-dimensional finite-volume model that considers a wide variety of factors, such as soil freezing and evapotranspiration. The FHX numerical model is validated with one year of experimental data collected at an experimental house located near Oak Ridge, Tennessee. The model shows good agreement with the experimental data-heat pump entering fluid temperatures typically within 1 C (1.8 F) - with minor discrepancies due to approximations, such as constant moisture content throughout the year, uniform evapotranspiration over the seasons, and lack of ground shading in the model.

  17. Dynamic Models of Learning That Characterize Parent-Child Exchanges Predict Vocabulary Growth

    ERIC Educational Resources Information Center

    Ober, David R.; Beekman, John A.

    2016-01-01

    Cumulative vocabulary models for infants and toddlers were developed from models of learning that predict trajectories associated with low, average, and high vocabulary growth rates (14 to 46 months). It was hypothesized that models derived from rates of learning mirror the type of exchanges provided to infants and toddlers by parents and…

  18. A social exchange-based model of the antecedents of workplace exclusion.

    PubMed

    Scott, Kristin L; Restubog, Simon Lloyd D; Zagenczyk, Thomas J

    2013-01-01

    We conducted 2 studies of coworker dyads to test a theoretical model exploring why and under what circumstances employees are the targets of workplace exclusion. Adopting a victim precipitation perspective, we integrate belongingness and social exchange theories to propose that employees who display workplace incivility are distrusted and therefore are targets of workplace exclusion. Highlighting the importance of the context of the perpetrator-target relationship, we also find support for the postulation that this mediated relationship is strengthened when the target employee is perceived to be a weak exchange partner and is attenuated when he or she is viewed as a valuable exchange partner. Theoretical and practical implications are discussed.

  19. Stagnation Point Nonequilibrium Radiative Heating and the Influence of Energy Exchange Models

    NASA Technical Reports Server (NTRS)

    Hartung, Lin C.; Mitcheltree, Robert A.; Gnoffo, Peter A.

    1991-01-01

    A nonequilibrium radiative heating prediction method has been used to evaluate several energy exchange models used in nonequilibrium computational fluid dynamics methods. The radiative heating measurements from the FIRE II flight experiment supply an experimental benchmark against which different formulations for these exchange models can be judged. The models which predict the lowest radiative heating are found to give the best agreement with the flight data. Examination of the spectral distribution of radiation indicates that despite close agreement of the total radiation, many of the models examined predict excessive molecular radiation. It is suggested that a study of the nonequilibrium chemical kinetics may lead to a correction for this problem.

  20. MODELING AN ION EXCHANGE PROCESS FOR CESIUM REMOVAL FROM ALKALINE RADIOACTIVE WASTE SOLUTIONS

    SciTech Connect

    Smith, F; Luther Hamm, L; Sebastian Aleman, S; Johnston Michael, J

    2008-08-26

    The performance of spherical Resorcinol-Formaldehyde ion-exchange resin for the removal of cesium from alkaline radioactive waste solutions has been investigated through computer modeling. Cesium adsorption isotherms were obtained by fitting experimental data using a thermodynamic framework. Results show that ion-exchange is an efficient method for cesium removal from highly alkaline radioactive waste solutions. On average, two 1300 liter columns operating in series are able to treat 690,000 liters of waste with an initial cesium concentration of 0.09 mM in 11 days achieving a decontamination factor of over 50,000. The study also tested the sensitivity of ion-exchange column performance to variations in flow rate, temperature and column dimensions. Modeling results can be used to optimize design of the ion exchange system.

  1. NN-->NNπ reaction near threshold in a covariant one-boson-exchange model

    NASA Astrophysics Data System (ADS)

    Shyam, R.; Mosel, U.

    1998-04-01

    We calculate the cross sections for the p(p,nπ+)p and p(p,pπ0)p reactions for proton beam energies near threshold in a covariant one-boson-exchange model, which incorporates the exchange of π, ρ, σ and ω mesons, treats both nucleon and delta isobar as intermediate states. The final state interaction effects are included within the Watson's theory. Within this model the ω and σ meson exchange terms contribute significantly at these energies, which, along with other meson exchanges, make it possible to reproduce the available experimental data for the total as well as differential cross sections for both the reactions. The cross sections at beam energies <=300 MeV are found to be almost free from the contributions of the Δ isobar excitation.

  2. Equilibrium Model for Ion Exchange Between Multivalent Cations and Zeolite-A in a Molten Salt

    SciTech Connect

    Supathorn Phongikaroon; Michael Simpson

    2005-10-01

    A two-site equilibrium model that previously only accommodated monovalent cations has been extended to include divalent and trivalent cations for ion exchange between zeolite-A and molten chloride salts, a process being considered for concentrating nuclear fission products into high level waste forms. Equilibrium constants were determined by fitting the model to equilibrium data sets for ion exchange between zeolite-A and Cs ternary salt (CsCl-LiCl-KCl), Rb ternary salt (RbCl-LiCl-KCl), Na ternary salt (NaCl-LiCl-KCl), Sr ternary salt (SrCl2-LiCl-KCl), and U ternary salt (UCl3-LiCl-KCl). The results reveal a good fit between the experimental data sets and the model. The two ion exchange sites, framework sites and occluded sites, demonstrate different relative selectivities for the cations. It was found that Sr2_ is the preferred cation in the ion exchange site, and Cs_ is the preferred cation in the occlusion site. Meanwhile, Li_ has the highest combined selectivity when both ion exchange and occlusion sites are considered. Interestingly, divalent and trivalent species are more preferred in the ion exchange site than the monovalent species with the exception of Li_.

  3. Evaluating Humidity Recovery Efficiency of Currently Available Heat and Moisture Exchangers: A Respiratory System Model Study

    PubMed Central

    Lucato, Jeanette Janaina Jaber; Adams, Alexander Bernard; Souza, Rogério; Torquato, Jamili Anbar; Carvalho, Carlos Roberto Ribeiro; Marini, John J

    2009-01-01

    OBJECTIVES: To evaluate and compare the efficiency of humidification in available heat and moisture exchanger models under conditions of varying tidal volume, respiratory rate, and flow rate. INTRODUCTION: Inspired gases are routinely preconditioned by heat and moisture exchangers to provide a heat and water content similar to that provided normally by the nose and upper airways. The absolute humidity of air retrieved from and returned to the ventilated patient is an important measurable outcome of the heat and moisture exchangers’ humidifying performance. METHODS: Eight different heat and moisture exchangers were studied using a respiratory system analog. The system included a heated chamber (acrylic glass, maintained at 37°C), a preserved swine lung, a hygrometer, circuitry and a ventilator. Humidity and temperature levels were measured using eight distinct interposed heat and moisture exchangers given different tidal volumes, respiratory frequencies and flow-rate conditions. Recovery of absolute humidity (%RAH) was calculated for each setting. RESULTS: Increasing tidal volumes led to a reduction in %RAH for all heat and moisture exchangers while no significant effect was demonstrated in the context of varying respiratory rate or inspiratory flow. CONCLUSIONS: Our data indicate that heat and moisture exchangers are more efficient when used with low tidal volume ventilation. The roles of flow and respiratory rate were of lesser importance, suggesting that their adjustment has a less significant effect on the performance of heat and moisture exchangers. PMID:19578664

  4. An Experimentally Validated Numerical Modeling Technique for Perforated Plate Heat Exchangers

    PubMed Central

    Nellis, G. F.; Kelin, S. A.; Zhu, W.; Gianchandani, Y.

    2010-01-01

    Cryogenic and high-temperature systems often require compact heat exchangers with a high resistance to axial conduction in order to control the heat transfer induced by axial temperature differences. One attractive design for such applications is a perforated plate heat exchanger that utilizes high conductivity perforated plates to provide the stream-to-stream heat transfer and low conductivity spacers to prevent axial conduction between the perforated plates. This paper presents a numerical model of a perforated plate heat exchanger that accounts for axial conduction, external parasitic heat loads, variable fluid and material properties, and conduction to and from the ends of the heat exchanger. The numerical model is validated by experimentally testing several perforated plate heat exchangers that are fabricated using microelectromechanical systems based manufacturing methods. This type of heat exchanger was investigated for potential use in a cryosurgical probe. One of these heat exchangers included perforated plates with integrated platinum resistance thermometers. These plates provided in situ measurements of the internal temperature distribution in addition to the temperature, pressure, and flow rate measured at the inlet and exit ports of the device. The platinum wires were deposited between the fluid passages on the perforated plate and are used to measure the temperature at the interface between the wall material and the flowing fluid. The experimental testing demonstrates the ability of the numerical model to accurately predict both the overall performance and the internal temperature distribution of perforated plate heat exchangers over a range of geometry and operating conditions. The parameters that were varied include the axial length, temperature range, mass flow rate, and working fluid. PMID:20976021

  5. A simple, closed-form, mathematical model for gas exchange in microchannel artificial lungs.

    PubMed

    Potkay, Joseph A

    2013-06-01

    Microfabrication techniques are attractive for constructing artificial lungs due to the ability to create features similar in size to those in the natural lung. However, a simple and intuitive mathematical model capable of accurately predicting the gas exchange performance of microchannel artificial lungs does not currently exist. Such a model is critical to understanding and optimizing these devices. Here, we describe a simple, closed-form mathematical model for gas exchange in microchannel artificial lungs and qualify it through application to experimental data from several research groups. We utilize lumped parameters and several assumptions to obtain a closed-form set of equations that describe gas exchange. This work is intended to augment computational models by providing a more intuitive, albeit potentially less accurate, understanding of the operation and trade-offs inherent in microchannel artificial lung devices.

  6. Plate Fin Heat Exchanger Model with Axial Conduction and Variable Properties

    SciTech Connect

    Hansen, B.J.; White, M.J.; Klebaner, A.; /Fermilab

    2011-06-10

    Future superconducting radio frequency (SRF) cavities, as part of Project X at Fermilab, will be cooled to superfluid helium temperatures by a cryogenic distribution system supplying cold supercritical helium. To reduce vapor fraction during the final Joule-Thomson (J-T) expansion into the superfluid helium cooling bath, counter-flow, plate-fin heat exchangers will be utilized. Due to their compact size and ease of fabrication, plate-fin heat exchangers are an effective option. However, the design of compact and high-effectiveness cryogenic heat exchangers operating at liquid helium temperatures requires consideration of axial heat conduction along the direction of flow, in addition to variable fluid properties. Here we present a numerical model that includes the effects of axial conduction and variable properties for a plate fin heat exchanger. The model is used to guide design decisions on heat exchanger material choice and geometry. In addition, the J-T expansion process is modeled with the heat exchanger to analyze the effect of heat load and cryogenic supply parameters. A numerical model that includes the effects of axial conduction and variable properties for a plate fin heat exchanger was developed and the effect of various design parameters on overall heat exchanger size was investigated. It was found that highly conductive metals should be avoided in the design of compact JT heat exchangers. For the geometry considered, the optimal conductivity is around 3.5 W/m-K and can range from 0.3-10 W/m-K without a large loss in performance. The model was implemented with an isenthalpic expansion process. Increasing the cold side inlet temperature from 2K to 2.2 K decreased the liquid fraction from 0.856 to 0.839 which corresponds to a 0.12 g/s increase in supercritical helium supply needed to maintain liquid level in the cooling bath. Lastly, it was found that the effectiveness increased when the heat load was below the design value. Therefore, the heat exchanger

  7. Effect of relative humidity constraint on the metal exchanged montmorillonite performance: An XRD profile modeling approach

    NASA Astrophysics Data System (ADS)

    Oueslati, Walid; Ben Rhaiem, Hafsia; Ben Haj Amara, Abdesslem

    2012-11-01

    This work aims at examining the effect of an applied hydrous strain on the cation exchange process of a dioctahedral smectite by quantitative XRD analysis. The hydrous constraint is created by a continuous, in situ, hydration-dehydration cycles using variation of %RH (relative humidity) rate. In order to examine the effect of the retained materials stress on the cation exchange capacity of the host materials, the starting, the intermediate and the final stressed samples are deposed in contact with saturated Cd(II), Co(II), Zn(II) and Ni(II) chloride solutions. To characterize structural changes, an XRD profile modeling approach is used. This investigation allowed us to determine parameters related to the nature, abundance, size, position, organization of exchangeable cation and water molecule in the interlamellar space, along the c* axis. Qualitatively, the hydration behavior is affected by the number of hydration-dehydration cycle, and an interstratified hydration phases due probably to a new organization of the interlamellar space content is observed. Quantitatively, the theoretical mixed layer structure (MLS) suggests the coexistence of more one "crystallite" specie which are saturated by more than one exchangeable cations indicating a partial saturation of all exchangeable sites. Using optimum structural parameter values, deduced from the theoritecals models, some equations which described the evolution of exchangeable cation amount versus the applied hydrous strain were derived.

  8. Development of an analytical hydrogen isotope exchange model in fusion relevant plasma facing components

    NASA Astrophysics Data System (ADS)

    Barton, Joseph; Wang, Yongquang; Doerner, Russell; Tynan, George

    2014-10-01

    A simple model for H isotope retention depth profiles in W is developed, which can easily be extended to other plasma facing components (PFCs). This retention model is subsequently used to model how the depth profile changes after H isotope exchange. We calculate how trapping defects in W trap D (or H) inventory as W is being exposed to plasma. The model characterizes each trapping site by a trapping rate and a release rate, where the only free parameters are the distribution of these trapping sites in the material. The filled trap concentrations for each trap type are modeled as a diffusion process because post-mortem D depth profiles indicate that traps are filled well beyond the ion implantation zone (3--4 nm with 100 eV ions). Using this retention model, an isotope exchange rate is formulated. The retention model and isotope exchange rate are compared to low temperature (100 °C) isotope exchange experiments in W with good agreement. Experimental retention profiles were measured using the D(3He,p) α nuclear reaction after plasma treatment. We additionally discuss how a uniform damage profile up to 1 micron in W induced by Cu ions using incident energies of 0.5, 2, and 5 MeV affect retention in W and the retention model.

  9. An Application of Variational Theory to an Integrated Walrasian Model of Exchange, Consumption and Production

    NASA Astrophysics Data System (ADS)

    Donato, M. B.; Milasi, M.; Vitanza, C.

    2010-09-01

    An existence result of a Walrasian equilibrium for an integrated model of exchange, consumption and production is obtained. The equilibrium model is characterized in terms of a suitable generalized quasi-variational inequality; so the existence result comes from an original technique which takes into account tools of convex and set-valued analysis.

  10. An Interaction-Based Model of a Social Exchange in the Two-Generation Farm Family.

    ERIC Educational Resources Information Center

    Ballard-Reisch, Deborah S.; Weigel, Daniel J.

    1991-01-01

    Presents a model which blends the family and work spheres into an exchange-based model of family interaction in two-generation farm families. Specific recommendations are made to help rural family practitioners, educators, and Cooperative Extension agents better understand and work with two-generation farm families. (LLL)

  11. Modeling gas exchange in a closed plant growth chamber

    NASA Technical Reports Server (NTRS)

    Cornett, J. D.; Hendrix, J. E.; Wheeler, R. M.; Ross, C. W.; Sadeh, W. Z.

    1994-01-01

    Fluid transport models for fluxes of water vapor and CO2 have been developed for one crop of wheat and three crops of soybean grown in a closed plant growth chamber. Correspondence among these fluxes is discussed. Maximum fluxes of gases are provided for engineering design requirements of fluid recycling equipment in growth chambers. Furthermore, to investigate the feasibility of generalized crop models, dimensionless representations of water vapor fluxes are presented. The feasibility of such generalized models and the need for additional data are discussed.

  12. Modeling Gas Exchange in a Closed Plant Growth Chamber

    NASA Technical Reports Server (NTRS)

    Cornett, J. D.; Hendrix, J. E.; Wheeler, R. M.; Ross, C. W.; Sadeh, W. Z.

    1994-01-01

    Fluid transport models for fluxes of water vapor and CO2 have been developed for one crop of wheat and three crops of soybean grown in a closed plant a growth chamber. Correspondence among these fluxes is discussed. Maximum fluxes of gases are provided for engineering design requirements of fluid recycling equipment in growth chambers. Furthermore, to investigate the feasibility of generalized crop models, dimensionless representations of water vapor fluxes are presented. The feasibility of such generalized models and the need for additional data are discussed.

  13. Modeling of temporal behavior of isotopic exchange between gaseous hydrogen and palladium hydride power

    SciTech Connect

    Melius, C F; Foltz, G W

    1987-01-01

    A parametric rate-equation model is described which depicts the time dependent behavior of the isotopic exchange process occurring between the solid and gas phases in gaseous hydrogen (deuterium) flows through packed-powder palladium deuteride (hydride) beds. The exchange mechanism is assumed to be rate-limited by processes taking place on the surface of the powder. The fundamental kinetic parameter of the model is the isotopic exchange probability, p, which is the probability that an isotopic exchange event occurs during a collision of a gas phase atom with the surface. Isotope effects between the gas and solid phases are explicitly included in terms of the isotope separation factor, ..cap alpha... Results of the model are compared with recent experimental measurements of isotope exchange in the ..beta..-phase hydrogen/palladium system and, using a literature value of ..cap alpha.. = 2.4, a good description of the experimental data is obtained for p approx. 10/sup -7/. In view of the importance of the isotope effects in the hydrogen/palladium system and the range of ..cap alpha.. values reported for the ..beta..-phase in the literature, the sensitivity of the model results to a variation in the value of ..cap alpha.. is examined.

  14. Plantecophys--An R Package for Analysing and Modelling Leaf Gas Exchange Data.

    PubMed

    Duursma, Remko A

    2015-01-01

    Here I present the R package 'plantecophys', a toolkit to analyse and model leaf gas exchange data. Measurements of leaf photosynthesis and transpiration are routinely collected with portable gas exchange instruments, and analysed with a few key models. These models include the Farquhar-von Caemmerer-Berry (FvCB) model of leaf photosynthesis, the Ball-Berry models of stomatal conductance, and the coupled leaf gas exchange model which combines the supply and demand functions for CO2 in the leaf. The 'plantecophys' R package includes functions for fitting these models to measurements, as well as simulating from the fitted models to aid in interpreting experimental data. Here I describe the functionality and implementation of the new package, and give some examples of its use. I briefly describe functions for fitting the FvCB model of photosynthesis to measurements of photosynthesis-CO2 response curves ('A-Ci curves'), fitting Ball-Berry type models, modelling C3 photosynthesis with the coupled photosynthesis-stomatal conductance model, modelling C4 photosynthesis, numerical solution of optimal stomatal behaviour, and energy balance calculations using the Penman-Monteith equation. This open-source package makes technically challenging calculations easily accessible for many users and is freely available on CRAN. PMID:26581080

  15. Exposure Modeling of Residential Air Exchange Rates for NEXUS Participants

    EPA Science Inventory

    Due to cost and participant burden of personal measurements, air pollution health studies often estimate exposures using local ambient air monitors. Since outdoor levels do not necessarily reflect personal exposures, we developed the Exposure Model for Individuals (EMI) to improv...

  16. Exposure Modeling of Residential Air Exchange Rates for NEXUS Participants.

    EPA Science Inventory

    Due to cost and participant burden of personal measurements, air pollution health studies often estimate exposures using local ambient air monitors. Since outdoor levels do not necessarily reflect personal exposures, we developed the Exposure Model for Individuals (EMI) to improv...

  17. Multiphysics Model of Palladium Hydride Isotope Exchange Accounting for Higher Dimensionality

    SciTech Connect

    Gharagozloo, Patricia E.; Eliassi, Mehdi; Bon, Bradley Luis

    2015-03-01

    This report summarizes computational model developm ent and simulations results for a series of isotope exchange dynamics experiments i ncluding long and thin isothermal beds similar to the Foltz and Melius beds and a lar ger non-isothermal experiment on the NENG7 test bed. The multiphysics 2D axi-symmetr ic model simulates the temperature and pressure dependent exchange reactio n kinetics, pressure and isotope dependent stoichiometry, heat generation from the r eaction, reacting gas flow through porous media, and non-uniformities in the bed perme ability. The new model is now able to replicate the curved reaction front and asy mmetry of the exit gas mass fractions over time. The improved understanding of the exchange process and its dependence on the non-uniform bed properties and te mperatures in these larger systems is critical to the future design of such sy stems.

  18. Models of Temporal Discounting 1937-2000: An Interdisciplinary Exchange between Economics and Psychology.

    PubMed

    Grüne-Yanoff, Till

    2015-12-01

    Today's models of temporal discounting are the result of multiple interdisciplinary exchanges between psychology and economics. Although these exchanges did not result in an integrated discipline, they had important effects on all disciplines involved. The paper describes these exchanges from the 1930s onwards, focusing on two episodes in particular: an attempted synthesis by psychiatrist George Ainslie and others in the 1970s; and the attempted application of this new discounting model by a generation of economists and psychologists in the 1980s, which ultimately ended in the diversity of measurements disappointment. I draw four main conclusions. First, multiple notions of temporal discounting must be conceptually distinguished. Second, behavioral economics is not an integration or unification of psychology and economics. Third, the analysis identifies some central disciplinary markers that distinguish modeling strategies in economics and psychology. Finally, it offers a case of interdisciplinary success that does not fit the currently dominant account of interdisciplinarity as integration.

  19. Observations and modeling of exchange and residence time in tidal inlets

    NASA Astrophysics Data System (ADS)

    Rynne, Patrick Forde

    The exchange of water in a coastal embayment with seawater is forced by tidally driven and gravitational flows. Tidal flows oscillate temporally based on planetary motion, while gravitational flows like those found in rivers act in one direction from high to low altitude. These flows determine the residence time, or the time water will remain within an embayment. At the ocean boundary, many coasts contain barrier islands with inlets through which these flows propagate. The effect that inlets have on the exchange of inland water with the sea has been the subject of research for nearly a century. Residence time is a bulk parameter that can be used to indicate the efficiency of an inlet system to rid itself of contaminants and maintain good water quality. Because coastal embayments are often exposed to anthropogenic pollutants, understanding the processes that control residence time improves our ability to protect coastal ecosystems. Inlet systems, including lagoons and estuaries, are subject to processes of a wide range of spatial and temporal scales. As such, past efforts to identify which processes control the motion and transport of water often rely on assumptions that simplify the kinematics. Today, the rapid evolution of personal computing has enabled the creation of numerical models that resolve the Reynolds Averaged Navier Stokes Equations (RANS) for complex flows found in inlet environments. This dissertation focuses on utilizing such a model to examine the flow in tidal inlet systems and to identify the dominant processes that control exchange and residence time. First, modeling experiments of idealized lagoons are conducted with the aim of quantifying how the shape of an inlet affects residence time. Seventeen different inlet configurations are examined. Methods of quantifying residence time based on previous analytical models are applied to a numerical model for the first time. To better understand the mechanism of exchange, a simple transport model is

  20. Modeling surf zone-inner shelf exchange: Interaction of rip currents and stratification

    NASA Astrophysics Data System (ADS)

    Kumar, N.; Feddersen, F.

    2014-12-01

    Transient rip currents on alongshore uniform beaches develop from the coalescence of surf zone eddies, exchanging tracers between the surf zone and the potentially stratified inner shelf. The interaction of stratification and transient rip currents has not yet been investigated. Surf zone eddies responsible for transient rip currents are generated by short-crested wave breaking, a process included in wave-resolving (WR) Boussinesq models. However, WR models are depth-integrated and cannot account for stratification and vertically sheared flows. Wave-averaged (WA) models can simulate these processes, but cannot create surf zone eddies. A combination of WR and WA models is required to accurately simulate surf zone-inner shelf exchange. Here, WR depth-integrated Boussinessq model funwaveC is coupled to the stratification and depth-resolving WA Coupled-Ocean-Atmosphere-Wave-Sediment Transport (COAWST) modeling system. The surf zone eddy generation forcing is extracted from a funwaveC simulation of normally incident waves on a planar beach, and provided to COAWST as a depth-uniform surf zone force. COAWST model simulations resolving the surf zone to mid-shelf are conducted with surf zone eddy forcing, idealistic surface heating/cooling, stratification, and Coriolis effects. These simulations provide three-dimensional evolution of velocity and temperature, diagnosed to quantify the role of surf zone eddy forcing in surf zone-inner shelf exchange. The impact of stratification on rip currents and exchange is studied by varying the stratification. Funded by the Office of Naval Research.

  1. CFD analysis of the plate heat exchanger - Mathematical modelling of mass and heat transfer in serial connection with tubular heat exchanger

    NASA Astrophysics Data System (ADS)

    Bojko, Marian; Kocich, Radim

    2016-06-01

    Application of numerical simulations based on the CFD calculation when the mass and heat transfer between the fluid flows is essential component of thermal calculation. In this article the mathematical model of the heat exchanger is defined, which is subsequently applied to the plate heat exchanger, which is connected in series with the other heat exchanger (tubular heat exchanger). The present contribution deals with the possibility to use the waste heat of the flue gas produced by small micro turbine. Inlet boundary conditions to the mathematical model of the plate heat exchanger are obtained from the results of numerical simulation of the tubular heat exchanger. Required parameters such for example inlet temperature was evaluated from temperature field, which was subsequently imported to the inlet boundary condition to the simulation of plate heat exchanger. From the results of 3D numerical simulations are evaluated basic flow variables including the evaluation of dimensionless parameters such as Colburn j-factor and friction ft factor. Numerical simulation is realized by software ANSYS Fluent15.0.

  2. Supporting SBML as a model exchange format in software applications.

    PubMed

    Keating, Sarah M; Le Novère, Nicolas

    2013-01-01

    This chapter describes the Systems Biology Markup Language (SBML) from its origins. It describes the rationale behind and importance of having a common language when it comes to representing models. This chapter mentions the development of SBML and outlines the structure of an SBML model. It provides a section on libSBML, a useful application programming interface (API) library for reading, writing, manipulating and validating content expressed in the SBML format. Finally the chapter also provides a description of the SBML Toolbox which provides a means of facilitating the import and export of SBML from both MATLAB and Octave ( http://www.gnu.org/software/octave/) environments. PMID:23715987

  3. A macro-physics model of depreciation rate in economic exchange

    NASA Astrophysics Data System (ADS)

    Marmont Lobo, Rui F.; de Sousa, Miguel Rocha

    2014-02-01

    This article aims at a new approach for a known fundamental result: barter or trade increases economic value. It successfully bridges the gap between the theory of value and the exchange process attached to the transition from endowments to the equilibrium in the core and contract curve. First, we summarise the theory of value; in Section 2, we present the Edgeworth (1881) box and an axiomatic approach and in Section 3, we apply our pure exchange model. Finally (in Section 4), using our open econo-physics pure barter (EPB) model, we derive an improvement in value, which means that pure barter leads to a decline in depreciation rate.

  4. Rates of heat exchange in largemouth bass: experiment and model

    SciTech Connect

    Weller, D.E.; Anderson, D.J.; DeAngelis, D.L.; Coutant, C.C.

    1984-01-01

    A mathematical model of body-core temperature change in fish was derived by modifying Newton's law of cooling to include an initial time lag in temperature adjustment. This model was tested with data from largemouth bass (Micropterus salmoides) subjected to step changes in ambient temperature and to more complex ambient regimes. Nonlinear least squares was used to fit model parameters k (min/sup -1/) and L (initial lag time in minutes) to time series temperature data from step-change experiments. Temperature change halftimes (t/sub 1/2/, in minutes) were calculated from k and L. Significant differences (P < .05) were found in these parameters between warming and cooling conditions and between live and dead fish. Statistically significant regressions were developed relating k and t/sub 1/2/ to weight and L to length. Estimates of k and L from the step-change experiments were used with a computer solution of the model to stimulate body temperature response to continuously varying ambient regimes. These simulations explained between 52% and 99% of the variation in core temperature, with absolute errors in prediction ranging between 0 and 0.61 C when ambient temperature was varied over 4 C. 14 references, 6 figures, 4 tables.

  5. A computational model of insect discontinuous gas exchange: A two-sensor, control systems approach.

    PubMed

    Grieshaber, Beverley J; Terblanche, John S

    2015-06-01

    The insect gas exchange system is characterised by branching air-filled tubes (tracheae/tracheoles) and valve-like structures in their outer integument (spiracles) which allow for a periodic gas exchange pattern known as the discontinuous gas exchange cycle (DGC). The DGC facilitates the temporal decoupling of whole animal gas exchange from cellular respiration rates and may confer several physiological benefits, which are nevertheless highly controversial (primarily reduction of cellular oxidative damage and/or respiratory water saving). The intrinsic and extrinsic factors influencing DGCs are the focus of extensive ongoing research and little consensus has been reached on the evolutionary genesis or mechanistic costs and benefits of the pattern. Despite several hypotheses and much experimental and evolutionary biology research, a mechanistic physical model, which captures various key elements of the DGC pattern, is currently lacking. Here, we present a biologically realistic computational, two-sensor DGC model (pH/carbon dioxide and oxygen setpoints) for an Orthopteran gas exchange system, and show computationally for the first time that a control system of two interacting feedback loops is capable of generating a full DGC pattern with outputs which are physiologically realistic, quantitatively matching experimental results found in this taxonomic model elsewhere. A finite-element mathematical approach is employed and various trigger sets are considered. Parameter sensitivity analyses suggest that various aspects of insect DGC are adequately captured in this model. In particular, with physiologically relevant input parameters, the full DGC pattern is induced; and the phase durations, endotracheal carbon dioxide partial pressure ranges, and pH fluctuations which arise are physically realistic. The model results support the emergent property hypothesis for the existence of DGC, and indicate that asymmetric loading and off-loading (hysteresis) in one of the sensor

  6. A computational model of insect discontinuous gas exchange: A two-sensor, control systems approach.

    PubMed

    Grieshaber, Beverley J; Terblanche, John S

    2015-06-01

    The insect gas exchange system is characterised by branching air-filled tubes (tracheae/tracheoles) and valve-like structures in their outer integument (spiracles) which allow for a periodic gas exchange pattern known as the discontinuous gas exchange cycle (DGC). The DGC facilitates the temporal decoupling of whole animal gas exchange from cellular respiration rates and may confer several physiological benefits, which are nevertheless highly controversial (primarily reduction of cellular oxidative damage and/or respiratory water saving). The intrinsic and extrinsic factors influencing DGCs are the focus of extensive ongoing research and little consensus has been reached on the evolutionary genesis or mechanistic costs and benefits of the pattern. Despite several hypotheses and much experimental and evolutionary biology research, a mechanistic physical model, which captures various key elements of the DGC pattern, is currently lacking. Here, we present a biologically realistic computational, two-sensor DGC model (pH/carbon dioxide and oxygen setpoints) for an Orthopteran gas exchange system, and show computationally for the first time that a control system of two interacting feedback loops is capable of generating a full DGC pattern with outputs which are physiologically realistic, quantitatively matching experimental results found in this taxonomic model elsewhere. A finite-element mathematical approach is employed and various trigger sets are considered. Parameter sensitivity analyses suggest that various aspects of insect DGC are adequately captured in this model. In particular, with physiologically relevant input parameters, the full DGC pattern is induced; and the phase durations, endotracheal carbon dioxide partial pressure ranges, and pH fluctuations which arise are physically realistic. The model results support the emergent property hypothesis for the existence of DGC, and indicate that asymmetric loading and off-loading (hysteresis) in one of the sensor

  7. Monotonic entropy growth for a nonlinear model of random exchanges.

    PubMed

    Apenko, S M

    2013-02-01

    We present a proof of the monotonic entropy growth for a nonlinear discrete-time model of a random market. This model, based on binary collisions, also may be viewed as a particular case of Ulam's redistribution of energy problem. We represent each step of this dynamics as a combination of two processes. The first one is a linear energy-conserving evolution of the two-particle distribution, for which the entropy growth can be easily verified. The original nonlinear process is actually a result of a specific "coarse graining" of this linear evolution, when after the collision one variable is integrated away. This coarse graining is of the same type as the real space renormalization group transformation and leads to an additional entropy growth. The combination of these two factors produces the required result which is obtained only by means of information theory inequalities.

  8. Monotonic entropy growth for a nonlinear model of random exchanges

    NASA Astrophysics Data System (ADS)

    Apenko, S. M.

    2013-02-01

    We present a proof of the monotonic entropy growth for a nonlinear discrete-time model of a random market. This model, based on binary collisions, also may be viewed as a particular case of Ulam's redistribution of energy problem. We represent each step of this dynamics as a combination of two processes. The first one is a linear energy-conserving evolution of the two-particle distribution, for which the entropy growth can be easily verified. The original nonlinear process is actually a result of a specific “coarse graining” of this linear evolution, when after the collision one variable is integrated away. This coarse graining is of the same type as the real space renormalization group transformation and leads to an additional entropy growth. The combination of these two factors produces the required result which is obtained only by means of information theory inequalities.

  9. Modeling of gaseous flows within proton exchange membrane fuel cells

    SciTech Connect

    Weisbrod, K.R.; Vanderborgh, N.E.; Grot, S.A.

    1996-12-31

    Development of a comprehensive mechanistic model has been helpful to understand PEM fuel cell performance. Both through-the-electrode and down-the-channel models have been developed to support our experimental effort to enhance fuel cell design and operation. The through-the-electrode model was described previously. This code describes the known transport properties and dynamic processes that occur within a membrane and electrode assembly. Key parameters include transport through the backing layers, water diffusion and electroosmotic transport in the membrane, and reaction electrochemical kinetics within the cathode catalyst layer. In addition, two geometric regions within the cathode layer are represented, the first region below saturation and second with liquid water present. Although processes at high gas stoichiometry are well represented by more simple codes, moderate stoichiometry processes require a two dimensional representation that include the gaseous composition and temperature along flow channel. Although usually PEM hardware utilizes serpentine flow channels, this code does not include such geometric features and thus the flow can be visualized along a single channel.

  10. Modeling the influence of heat/moisture exchange during bioventing

    SciTech Connect

    Glascoe, L.G.; Wright, S.J.; Abriola, L.M.

    1999-12-01

    The presented modeling investigation examines the potential influence of advection-induced evaporation and condensation on bioventing, a vadose-zone remediation technology. Currently, few soil vapor extraction or bioventing models incorporate nonisothermal effects when considering system performance. Laboratory and field measurements suggest, however, that even small changes in temperature and moisture content can influence microbial activity and could thus affect the overall efficiency of a bioventing operation. The model here is a one-dimensional simulator that describes mass and energy transport under steady, gaseous phase flow conditions. The coupled mass and energy equations are solved using a sequential iterative solver with matric potential and temperature as primary variables. A literature-derived relation is used to quantify the combined effect of water potential and temperature change on biological growth rates. Simulations indicate that the injection of air at temperatures and/or water vapor concentrations different from the initial ambient soil conditions can induce changes in matric potential and local soil temperature, which could measurably impact biological activity.

  11. Multiscale modeling of metabolism, flows, and exchanges in heterogeneous organs

    PubMed Central

    Bassingthwaighte, James B.; Raymond, Gary M.; Butterworth, Erik; Alessio, Adam; Caldwell, James H.

    2010-01-01

    Large-scale models accounting for the processes supporting metabolism and function in an organ or tissue with a marked heterogeneity of flows and metabolic rates are computationally complex and tedious to compute. Their use in the analysis of data from positron emission tomography (PET) and magnetic resonance imaging (MRI) requires model reduction since the data are composed of concentration–time curves from hundreds of regions of interest (ROI) within the organ. Within each ROI, one must account for blood flow, intracapillary gradients in concentrations, transmembrane transport, and intracellular reactions. Using modular design, we configured a whole organ model, GENTEX, to allow adaptive usage for multiple reacting molecular species while omitting computation of unused components. The temporal and spatial resolution and the number of species are adaptable and the numerical accuracy and computational speed is adjustable during optimization runs, which increases accuracy and spatial resolution as convergence approaches. An application to the interpretation of PET image sequences after intravenous injection of 13NH3 provides functional image maps of regional myocardial blood flows. PMID:20201893

  12. A Comparative Data-Based Modeling Study on Respiratory CO2 Gas Exchange during Mechanical Ventilation

    PubMed Central

    Kim, Chang-Sei; Ansermino, J. Mark; Hahn, Jin-Oh

    2016-01-01

    The goal of this study is to derive a minimally complex but credible model of respiratory CO2 gas exchange that may be used in systematic design and pilot testing of closed-loop end-tidal CO2 controllers in mechanical ventilation. We first derived a candidate model that captures the essential mechanisms involved in the respiratory CO2 gas exchange process. Then, we simplified the candidate model to derive two lower-order candidate models. We compared these candidate models for predictive capability and reliability using experimental data collected from 25 pediatric subjects undergoing dynamically varying mechanical ventilation during surgical procedures. A two-compartment model equipped with transport delay to account for CO2 delivery between the lungs and the tissues showed modest but statistically significant improvement in predictive capability over the same model without transport delay. Aggregating the lungs and the tissues into a single compartment further degraded the predictive fidelity of the model. In addition, the model equipped with transport delay demonstrated superior reliability to the one without transport delay. Further, the respiratory parameters derived from the model equipped with transport delay, but not the one without transport delay, were physiologically plausible. The results suggest that gas transport between the lungs and the tissues must be taken into account to accurately reproduce the respiratory CO2 gas exchange process under conditions of wide-ranging and dynamically varying mechanical ventilation conditions. PMID:26870728

  13. Comparing heat exchangers of thermacoustic prime movers with a Van der Pol model

    NASA Astrophysics Data System (ADS)

    Cox, I.; Jorgensen, M.; Andersen, B.

    2010-10-01

    A thermoacoustic standing-wave prime mover is a self-sustained oscillator whose initial growth of acoustic pressure into amplitude saturation can be modeled by the Van der Pol equation. The nonlinear Van der Pol equation is calculated computationally, using 4^th order Runge-Kutta. The Van der Pol model gives quantitative loss and gain parameters, when using a best-fit with experimental data. The engines tested in this study have an average frequency of 2700 Hz, which suggests that the first second of oscillations when using the Van der Pol model can reveal information about the steady-state performance of the device. This model is applied to studying the effect of different heat exchanger sizes. All sixteen possible permutations were tested using different copper wire mesh dimensions: 24X24, 40X40, 60X60, and 80X80 for the hot and cold heat exchangers (where ##X## indicates wires per inch). Plotting the steady-state acoustic pressure as a function of the gain term divided by the loss term shows roughly, a linear relationship. The engine with the highest gain term and smallest loss term was using 80X80 for the hot heat exchanger combined with the 24X24 for the cold heat exchanger and is consistent with the highest steady-state pressure achieved. The modeling process has been very successful and fits the Van der Pol equation.

  14. Radon (222Rn) in ground water of fractured rocks: A diffusion/ion exchange model

    USGS Publications Warehouse

    Wood, W.W.; Kraemer, T.F.; Shapiro, A.

    2004-01-01

    Ground waters from fractured igneous and high-grade sialic metamorphic rocks frequently have elevated activity of dissolved radon (222Rn). A chemically based model is proposed whereby radium (226Ra) from the decay of uranium (238U) diffuses through the primary porosity of the rock to the water-transmitting fracture where it is sorbed on weathering products. Sorption of 226Ra on the fracture surface maintains an activity gradient in the rock matrix, ensuring a continuous supply of 226Ra to fracture surfaces. As a result of the relatively long half-life of 226Ra (1601 years), significant activity can accumulate on fracture surfaces. The proximity of this sorbed 226Ra to the active ground water flow system allows its decay progeny 222Rn to enter directly into the water. Laboratory analyses of primary porosity and diffusion coefficients of the rock matrix, radon emanation, and ion exchange at fracture surfaces are consistent with the requirements of a diffusion/ion- exchange model. A dipole-brine injection/withdrawal experiment conducted between bedrock boreholes in the high-grade metamorphic and granite rocks at the Hubbard Brook Experimental Forest, Grafton County, New Hampshire, United States (42??56???N, 71??43???W) shows a large activity of 226Ra exchanged from fracture surfaces by a magnesium brine. The 226Ra activity removed by the exchange process is 34 times greater than that of 238U activity. These observations are consistent with the diffusion/ion-exchange model. Elutriate isotopic ratios of 223Ra/226Ra and 238U/226Ra are also consistent with the proposed chemically based diffusion/ion-exchange model.

  15. Radon (222Rn) in ground water of fractured rocks: a diffusion/ion exchange model.

    PubMed

    Wood, Warren W; Kraemer, Thomas F; Shapiro, Allen

    2004-01-01

    Ground waters from fractured igneous and high-grade sialic metamorphic rocks frequently have elevated activity of dissolved radon (222Rn). A chemically based model is proposed whereby radium (226Ra) from the decay of uranium (238U) diffuses through the primary porosity of the rock to the water-transmitting fracture where it is sorbed on weathering products. Sorption of 226Ra on the fracture surface maintains an activity gradient in the rock matrix, ensuring a continuous supply of 226Ra to fracture surfaces. As a result of the relatively long half-life of 226Ra (1601 years), significant activity can accumulate on fracture surfaces. The proximity of this sorbed 226Ra to the active ground water flow system allows its decay progeny 222Rn to enter directly into the water. Laboratory analyses of primary porosity and diffusion coefficients of the rock matrix, radon emanation, and ion exchange at fracture surfaces are consistent with the requirements of a diffusion/ion-exchange model. A dipole-brine injection/withdrawal experiment conducted between bedrock boreholes in the high-grade metamorphic and granite rocks at the Hubbard Brook Experimental Forest, Grafton County, New Hampshire, United States (42 degrees 56'N, 71 degrees 43'W) shows a large activity of 226Ra exchanged from fracture surfaces by a magnesium brine. The 226Ra activity removed by the exchange process is 34 times greater than that of 238U activity. These observations are consistent with the diffusion/ion-exchange model. Elutriate isotopic ratios of 223Ra/226Ra and 238U/226Ra are also consistent with the proposed chemically based diffusion/ion-exchange model. PMID:15318778

  16. Radon (222Rn) in ground water of fractured rocks: a diffusion/ion exchange model.

    PubMed

    Wood, Warren W; Kraemer, Thomas F; Shapiro, Allen

    2004-01-01

    Ground waters from fractured igneous and high-grade sialic metamorphic rocks frequently have elevated activity of dissolved radon (222Rn). A chemically based model is proposed whereby radium (226Ra) from the decay of uranium (238U) diffuses through the primary porosity of the rock to the water-transmitting fracture where it is sorbed on weathering products. Sorption of 226Ra on the fracture surface maintains an activity gradient in the rock matrix, ensuring a continuous supply of 226Ra to fracture surfaces. As a result of the relatively long half-life of 226Ra (1601 years), significant activity can accumulate on fracture surfaces. The proximity of this sorbed 226Ra to the active ground water flow system allows its decay progeny 222Rn to enter directly into the water. Laboratory analyses of primary porosity and diffusion coefficients of the rock matrix, radon emanation, and ion exchange at fracture surfaces are consistent with the requirements of a diffusion/ion-exchange model. A dipole-brine injection/withdrawal experiment conducted between bedrock boreholes in the high-grade metamorphic and granite rocks at the Hubbard Brook Experimental Forest, Grafton County, New Hampshire, United States (42 degrees 56'N, 71 degrees 43'W) shows a large activity of 226Ra exchanged from fracture surfaces by a magnesium brine. The 226Ra activity removed by the exchange process is 34 times greater than that of 238U activity. These observations are consistent with the diffusion/ion-exchange model. Elutriate isotopic ratios of 223Ra/226Ra and 238U/226Ra are also consistent with the proposed chemically based diffusion/ion-exchange model.

  17. The shell model for the exchange-correlation hole in the strong-correlation limit

    NASA Astrophysics Data System (ADS)

    Bahmann, Hilke; Zhou, Yongxi; Ernzerhof, Matthias

    2016-09-01

    We present a model for the exchange-correlation hole and the exchange-correlation energy in the strong-correlation (SC) limit of density functional theory. The SC limit is useful in the construction of exchange-correlation functionals through interpolation of the adiabatic connection. The new approximation (referred to as shell model) is an improvement of the non-local radius (NLR) model recently proposed by Wagner and Gori-Giorgi [Phys. Rev. A 90, 052512 (2014)]. The NLR model does not correctly reproduce the limit of the strongly correlated homogeneous electron gas and this shortcoming is remedied by the shell model. As in the case of the NLR model, the spherically averaged electron density ρ ( r , u ) = ∫ /d Ω u 4 π ρ ( r + u ) is the starting point for the construction of the shell model and it is also its computational bottleneck. We show how ρ(r, u), the NLR, and the shell model can be implemented efficiently. For this purpose, analytical integrals for the normalization and the energy density of the underlying holes are provided. Employing the shell model, we illustrate how improved adiabatic connection interpolations can be constructed.

  18. Modeling the removal of dissolved organic carbon by ion exchange in a completely mixed flow reactor.

    PubMed

    Boyer, Treavor H; Miller, Cass T; Singer, Philip C

    2008-04-01

    A mathematical model was developed to describe removal of dissolved organic carbon (DOC) by a macroporous, strong-base anion exchange resin in a completely mixed flow reactor with resin recycle and partial resin regeneration. The two-scale model consisted of a microscale model describing the uptake of DOC by the resin coupled with a macroscale model describing the continuous-flow process. Equilibrium and kinetic parameters were estimated from batch laboratory experiments. The model was validated using continuous-flow data from two pilot plant studies. Model predictions were found to be in good agreement with the observed pilot plant data.

  19. Wind-forced circulation model and water exchanges through the channel in the Bay of Toulon

    NASA Astrophysics Data System (ADS)

    Dufresne, Christiane; Duffa, Céline; Rey, Vincent

    2014-01-01

    A hydrodynamic model of the Bay of Toulon has been developed for use as a post-accident radionuclide dispersion simulation tool. Located in a Mediterranean urban area, the Bay of Toulon is separated into two basins by a 1.4-km long seawall. The Little Bay is semi-enclosed and connected to the Large Bay by a fairway channel. This channel is the site of significant water mass exchange as a result of both wind-driven currents and bathymetry. It is therefore a focal point for marine contamination. As part of the model calibration and validation process, the first step consisted of studying the water mass exchange between the two basins. An Acoustic Doppler Current Profiler was moored in the channel for 1 year. The present study analyses in situ data to determine the current intensity and direction, and also to better understand the vertical current profile, which is highly correlated with meteorological forcing. Comparisons of model-generated and measured data are presented, and various atmospheric forcing datasets are used to enhance computed results. It appears that accurate meteorological forcing data is needed to enhance the accuracy of the hydrodynamic model. This channel is an important location for water mass renewal in the Bay of Toulon, and model results are used to quantify these exchanges. The mean calculated annual water exchange time is approximately 3.4 days. However, this duration is strongly wind dependent and shortens during windy winter months. It ranges from 1.5 days during strong wind periods to 7.5 days during calm weather. Residence time values calculated through tracer dispersion modelling after release at the back of the Little Bay are found to be comparable to the mean exchange time values, especially for windy conditions.

  20. Through-the-electrode model of a proton exchange membrane fuel cell with independently measured parameters

    SciTech Connect

    Weisbrod, K.R.; Grot, S.A.; Vanderborgh, N.E.

    1995-05-01

    A one dimensional model for a proton exchange membrane fuel cell was developed which makes use of independently measured parameters for predicting single cell performance. Optimization of catalyst layer formulation and properties are explored. Impact of temperature and cathode pressure upon system performance was investigated.

  1. Through-the-electrode model of a proton exchange membrane fuel cell with independently measured parameters

    SciTech Connect

    Weisbrod, K.R.; Grot, S.A.; Vandergborgh, N.E.

    1995-09-01

    A one dimensional model for a proton exchange membrane fuel cell was developed which makes use of independently measured parameters for predicting single cell performance. Optimization of catalyst layer formulation and properties are explored. Impact of temperature and cathode pressure upon system performance is investigated.

  2. Modelling the Air–Surface Exchange of Ammonia from the Field to Global Scale

    EPA Science Inventory

    The Working Group addressed the current understanding and uncertainties in the processes controlling ammonia (NH3) bi-directional exchange, and in the application of numerical models to describe these processes. As a starting point for the discussion, the Working Group drew on th...

  3. A model of oxygen transport in Pt/ceria catalysts from isotope exchange

    SciTech Connect

    Holmgren, A.; Andersson, B.; Duprez, D.

    1999-03-10

    From isotope oxygen exchange reactions and simulations of these experiments, the important steps in oxygen transport in Pt/ceria were distinguished and their rates were estimated. A Pt/alumina sample was also experimentally investigated for comparison. Oxygen surface diffusion as well as oxygen spillover from Pt to ceria was found to be fast in comparison with adsorption/desorption of oxygen on the metal and oxygen bulk diffusion. The exchange rate was found to be higher on a very-low-Pt-dispersion sample than on a high-dispersion sample, which in the model was explained by the different adsorption properties of oxygen.

  4. Random exchange interaction effects on the phase transitions in frustrated classical Heisenberg model

    SciTech Connect

    Li, W. C.; Song, X.; Feng, J. J.; Zeng, M.; Gao, X. S.; Qin, M. H.; Jia, X. T.

    2015-07-07

    In this work, the effects of the random exchange interaction on the phase transitions and phase diagrams of classical frustrated Heisenberg model are investigated by Monte Carlo simulation in order to simulate the chemical doping effect in real materials. It is observed that the antiferromagnetic transitions shift toward low temperature with the increasing magnitude of the random exchange interaction, which can be qualitatively understood from the competitions among local spin states. This study is related to the magnetic properties in the doped iron-based superconductors.

  5. Hyporheic Exchange in Gravel-Bed Rivers with Pool-Riffle Morphology: A 3D Model

    NASA Astrophysics Data System (ADS)

    Tonina, D.; Buffington, J. M.

    2004-12-01

    The hyporheic zone is a saturated band of sediment that surrounds river flow and forms a linkage between the river and the aquifer. It is a rich ecotone where benthic, hyporheic, and groundwater species temporarily or permanently reside. Head gradients along the streambed draw river water into the hyporheic zone and expel pore water into the stream. This process, known as hyporheic exchange, is important for delivering nutrients, oxygen and other solutes to the sediment, and for washing away waste products to support this ecotone. It is an essential component of the carbon and nitrogen cycles, and it controls in-stream contaminant transport. Although hyporheic exchange has been studied in sand-bed rivers with two-dimensional dune morphology, few studies have been conducted for gravel-bed rivers with three-dimensional pool-riffle geometry. The hyporheic zone of gravel-bed rivers is particularly important for salmonids, many of which are currently at risk world wide. Salmon and trout lay their eggs within the hyporheic zone for incubation. After hatching, the alevins live in the gravel before emerging into the stream. The upwelling and downwelling hyporheic fluxes are intense in these streams due to the highly permeable sediment and strong head variations forced by shallow flow over high-amplitude bed forms. Moreover, gravel-bed rivers show a wide range of flow regimes that change seasonally and have strong effects on hyporheic exchange. To study this exchange, we used four sets of pool-riffle geometries in twelve recirculating flume experiments. We kept a constant bed-form wavelength, but changed the bed-form amplitude and imposed three discharges, covering a wide range of hydraulic and geometric characteristics. Hyporheic exchange was predicted from a three-dimensional model based on bedform-induced pumping transport, where the boundary head profile is the pressure head distribution at the sediment interface, measured with an array of mini-piezometers buried within

  6. Enhanced Seasonal Exchange of CO2 by Northern Ecosystems - Observations and Models

    NASA Astrophysics Data System (ADS)

    Graven, H. D.; Keeling, R. F.; Piper, S. C.; Patra, P. K.; Stephens, B. B.; Wofsy, S. C.; Welp, L. R.; Sweeney, C.; Tans, P. P.; Kelley, J. J.; Daube, B. C.; Kort, E. A.; Santoni, G.; Bent, J. D.; Thomas, R.; Prentice, I. C.

    2014-12-01

    Long-term measurements of atmospheric CO2 have revealed increasing amplitude in seasonal variations at Northern Hemisphere sites. In a recent paper1, we extended the analysis of seasonal CO2 amplitude using aircraft data from 1958-61 and 2009-11 and found large increases of 50% in the mid-troposphere north of 45°N. Changes in amplitude south of 45°N were less than 25%. The observations indicate that seasonal CO2 exchanges with northern terrestrial ecosystems must have increased by 30-60% over the past 50 years. The increased exchange is likely widespread over northern ecosystems but it must be focused in boreal forests to match the observed spatial pattern in the aircraft data. Small decreases in seasonal CO2 exchange of subtropical and tropical regions may also contribute to CO2 amplitude changes. The required increases in seasonal CO2 exchange in northern ecosystems are larger than simulated by terrestrial models, indicating the models do not capture substantial ecological changes occurring since 1960. This presentation will give an overview of the recent paper1, highlighting the atmospheric evidence for a dominant influence from boreal forests and from the main growing season months. It will also expand on the investigation of modeled changes in seasonal CO2 flux using CMIP5 and other model intercomparisons, including the modeled influences of carbon vs climate drivers. 1. Graven et al. 2013, Enhanced Seasonal Exchange of CO2 by Northern Ecosystems Since 1960, Science, 341, 6150, 1085-1089. DOI: 10.1126/science.1239207

  7. Process-Scale Modeling of Atmosphere-Snowpack Exchange of Nitrogen Oxides

    NASA Astrophysics Data System (ADS)

    Murray, K. A.; Doskey, P. V.; Ganzeveld, L.

    2013-12-01

    Snowpack over glacial ice is a reservoir for reactive nitrogen gases. Previous studies indicate nitrogen oxides (NOx) are generated in snowpack interstitial air through photolysis of nitrate (NO3-). Gradients in NOx mixing ratios between snowpack interstitial air and the overlying atmosphere regulate exchange of NOx with snowpack, which affects the Arctic ozone budget and climate. To better understand the dynamics of cryosphere-atmosphere exchange of NOx in the Arctic, we collected 2 years of meteorological and chemical data in and above the snowpack at Summit, Greenland. The comprehensive dataset indicates NOx emissions are episodic, with NOx enhancements in snowpack in early spring during high wind speed events (10-20 mph), which elevate NOx levels to ~500 pptv at depths of 2.5 m. Analysis of the observations will be based upon application of a 1-D process-scale model of atmosphere-snowpack exchange of NOx. The model will include representations of the snowpack chemistry in gas and aqueous phases, mass transfer of chemical species between phases, and physical transport by diffusion and wind pumping. The model will calculate the chemical and physical tendencies in three dimensions: depth, time, and intensity. Analysis of the tendencies will allow us to perform model sensitivity tests of pertinent snowpack physical and chemical processes. The end-goal of the project is to simplify the major tendencies into a parameterized model add-on for use in global models to determine the importance of properly representing snowpack in global model simulations.

  8. Modelling information exchange in worker–queen conflict over sex allocation

    PubMed Central

    Pen, Ido; Taylor, Peter D

    2005-01-01

    We investigate the conflict between queen and worker over sex allocation, specifically the allocation of the queen's eggs between workers and reproductives and the allocation of the reproductive eggs between male and female. In contrast to previous models, we allow workers to observe and use information about the strategy of the queen. We consider three conflict models: simultaneous (no information exchange), sequential (a one-way information exchange) and negotiated (an iterated two-way information exchange). We find that the first model produces sex ratios intermediate between the classic queen (1 : 1) and worker (1 : 3) optima. The second model, in which the worker has information about the queen's decisions, produces a different result and one that is somewhat counter-intuitive in that the sex ratios are less female-biased than for the other two models, and in fact are often male-biased. The third model predicts sex ratios intermediate between the first two models. We discuss how these findings may shed new light on observed sex allocation patterns in social insects and we suggest some experimental tests. PMID:16243692

  9. Theoretical analysis of triple concentric-tube heat exchangers. Part 1: Mathematical modelling

    SciTech Connect

    Uenal, A.

    1998-10-01

    A theoretical study consisting of two parts is conducted on triple concentric tube heat exchangers. This paper presents the first part of the study and deals with mathematical modeling. The model includes the derivation and possible solutions of the governing differential equations for both counter-flow and parallel-flow arrangements. In the second part of the study, which is under its way for publication, the results of several case studies will be presented.

  10. A surface complexation and ion exchange model of Pb and Cd competitive sorption on natural soils

    NASA Astrophysics Data System (ADS)

    Serrano, Susana; O'Day, Peggy A.; Vlassopoulos, Dimitri; García-González, Maria Teresa; Garrido, Fernando

    2009-02-01

    The bioavailability and fate of heavy metals in the environment are often controlled by sorption reactions on the reactive surfaces of soil minerals. We have developed a non-electrostatic equilibrium model (NEM) with both surface complexation and ion exchange reactions to describe the sorption of Pb and Cd in single- and binary-metal systems over a range of pH and metal concentration. Mineralogical and exchange properties of three different acidic soils were used to constrain surface reactions in the model and to estimate surface densities for sorption sites, rather than treating them as adjustable parameters. Soil heterogeneity was modeled with >FeOH and >SOH functional groups, representing Fe- and Al-oxyhydroxide minerals and phyllosilicate clay mineral edge sites, and two ion exchange sites (X - and Y -), representing clay mineral exchange. An optimization process was carried out using the entire experimental sorption data set to determine the binding constants for Pb and Cd surface complexation and ion exchange reactions. Modeling results showed that the adsorption of Pb and Cd was distributed between ion exchange sites at low pH values and specific adsorption sites at higher pH values, mainly associated with >FeOH sites. Modeling results confirmed the greater tendency of Cd to be retained on exchange sites compared to Pb, which had a higher affinity than Cd for specific adsorption on >FeOH sites. Lead retention on >FeOH occurred at lower pH than for Cd, suggesting that Pb sorbs to surface hydroxyl groups at pH values at which Cd interacts only with exchange sites. The results from the binary system (both Pb and Cd present) showed that Cd retained in >FeOH sites decreased significantly in the presence of Pb, while the occupancy of Pb in these sites did not change in the presence of Cd. As a consequence of this competition, Cd was shifted to ion exchange sites, where it competes with Pb and possibly Ca (from the background electrolyte). Sorption on >SOH

  11. Adsorption of polystyrene sulfonate to the air surface of water by neutron reflectivity

    SciTech Connect

    YIM,HYUN; KENT,MICHAEL S.; MATHESON,AARON J.; IVKOV,R.; SATIJA,S.; MAJEWSKI,J.; SMITH,G.S.

    2000-05-16

    The adsorption of the strong polyelectrolyte polystyrene sulfonate (PSS) to the air surface of dilute aqueous solutions was investigated as a function of molecular weight and salt concentration. Detailed segment profiles of the deuterated polymer were determined by neutron reflection. Surface activity was also examined through surface tension measurements. In general, the segment profiles are composed of a thin layer (10--20 {angstrom} thick) of high concentration at the air surface, followed by a distinct second layer of much lower segment concentration that extends to larger depths into the liquid. The high segment density at the air surface is due to a strong surface attraction, arising from the low surface tension of the PSS backbone relative to the surface tension of water. At low salt concentration, the profiles tend toward a single dense layer, suggesting that the chains lie nearly flat at the interface in that limit. The adsorbed amount increases with salt concentration, with a stronger dependence for higher molecular weight chains. The adsorbed amounts at the air/water interface are higher than reported previously for PSS adsorbed onto neutral solid surfaces, consistent with the fact that the air-liquid interface provides a stronger surface attraction. While the trends of adsorbed amount and layer thickness with salt concentration and molecular weight are in good agreement with numerical self-consistent field lattice calculations, the measured bilayer profiles are rather different from the smoothly decaying theoretical profiles. The surface tensions of the PSS solutions are significantly lowered relative to those of pure salt solutions. Combining the reflectivity and surface tension measurements, an approximately linear relationship is established between the surface pressure and the PSS adsorbed amount.

  12. An Autosampler and Field Sample Carrier for Maximizing Throughput Using an Open-Air, Surface Sampling Ion Source for MS

    EPA Science Inventory

    A recently developed, commercially available, open-air, surface sampling ion source for mass spectrometers provides individual analyses in several seconds. To realize its full throughput potential, an autosampler and field sample carrier were designed and built. The autosampler ...

  13. Chiral ligand exchange countercurrent chromatography: Equilibrium model study on enantioseparation of mandelic acid.

    PubMed

    Tong, Shengqiang; Shen, Mangmang; Xiong, Qing; Wang, Xiaoping; Lu, Mengxia; Yan, Jizhong

    2016-05-20

    The equilibrium model in enantioseparation of mandelic acid by chiral ligand exchange countercurrent chromatography was investigated using N-n-dodecyl-l-proline as chiral ligand and cupric ion as central metal. Important parameters, including physical partition coefficient and formation constants of binary and ternary coordination complexes in the two-phase solvent system, were determined. This equilibrium model could give an excellent prediction of distribution ratio and enantioseparation factor of the analyte in the biphasic solvent system, which was further verified by experiments. All the average relative deviations were less than 12%, indicating that the established model could provide a simple computational approach for optimization of enantioseparation conditions in chiral ligand exchange countercurrent chromatography.

  14. Energy exchange analysis in droplet dynamics via the Navier–Stokes–Cahn–Hilliard model

    NASA Astrophysics Data System (ADS)

    Espath, L. F. R.; Sarmiento, A. F.; Vignal, P.; Varga, B. O. N.; Cortes, A. M. A.; Dalcin, L.; Calo, V. M.

    2016-06-01

    We develop the energy budget equation of the coupled Navier-Stokes-Cahn-Hilliard (NSCH) system. We use the NSCH equations to model the dynamics of liquid droplets in a liquid continuum. Buoyancy effects are accounted for through the Boussinesq assumption. We physically interpret each quantity involved in the energy exchange to further insight into the model. Highly resolved simulations involving density-driven flows and merging of droplets allow us to analyze these energy budgets. In particular, we focus on the energy exchanges when droplets merge, and describe flow features relevant to this phenomenon. By comparing our numerical simulations to analytical predictions and experimental results available in the literature, we conclude that modeling droplet dynamics within the framework of NSCH equations is a sensible approach worth further research.

  15. An H Theorem for Boltzmann's Equation for the Yard-Sale Model of Asset Exchange

    NASA Astrophysics Data System (ADS)

    Boghosian, Bruce M.; Johnson, Merek; Marcq, Jeremy A.

    2015-12-01

    In recent work (Boghosian, Phys Rev E 89:042804-042825, 2014; Boghosian, Int J Mod Phys 25:1441008-1441015, 2014), Boltzmann and Fokker-Planck equations were derived for the "Yard-Sale Model" of asset exchange. For the version of the model without redistribution, it was conjectured, based on numerical evidence, that the time-asymptotic state of the model was oligarchy—complete concentration of wealth by a single individual. In this work, we prove that conjecture by demonstrating that the Gini coefficient, a measure of inequality commonly used by economists, is an H function of both the Boltzmann and Fokker-Planck equations for the model.

  16. A one-dimensional heat transfer model for parallel-plate thermoacoustic heat exchangers.

    PubMed

    de Jong, J A; Wijnant, Y H; de Boer, A

    2014-03-01

    A one-dimensional (1D) laminar oscillating flow heat transfer model is derived and applied to parallel-plate thermoacoustic heat exchangers. The model can be used to estimate the heat transfer from the solid wall to the acoustic medium, which is required for the heat input/output of thermoacoustic systems. The model is implementable in existing (quasi-)1D thermoacoustic codes, such as DeltaEC. Examples of generated results show good agreement with literature results. The model allows for arbitrary wave phasing; however, it is shown that the wave phasing does not significantly influence the heat transfer.

  17. Structural Analysis of Diheme Cytochrome c by Hydrogen–Deuterium Exchange Mass Spectrometry and Homology Modeling

    PubMed Central

    2015-01-01

    A lack of X-ray or nuclear magnetic resonance structures of proteins inhibits their further study and characterization, motivating the development of new ways of analyzing structural information without crystal structures. The combination of hydrogen–deuterium exchange mass spectrometry (HDX-MS) data in conjunction with homology modeling can provide improved structure and mechanistic predictions. Here a unique diheme cytochrome c (DHCC) protein from Heliobacterium modesticaldum is studied with both HDX and homology modeling to bring some definition of the structure of the protein and its role. Specifically, HDX data were used to guide the homology modeling to yield a more functionally relevant structural model of DHCC. PMID:25138816

  18. Development and validation of a novel modeling framework integrating ion exchange and resin regeneration for water treatment.

    PubMed

    Zhang, Jie; Amini, Adib; O'Neal, Jeremy A; Boyer, Treavor H; Zhang, Qiong

    2015-11-01

    Models have been developed to simulate the process of ion exchange for water treatment. However the modeling of resin regeneration process, which can predict regeneration efficiency and residual stream for determining technology sustainability, was not incorporated into previous models. Therefore a model integrating both ion exchange and resin regeneration considering regeneration efficiency is needed for evaluating and improving ion exchange technology. This study developed an integrated model aiming to simulate ion exchange and resin regeneration in different configurations (fixed bed, fluidized bed) for the first time. The integrated model has been validated via comparing model predictions with experimental data. The impacts of dimensionless groups (i.e. the Péclet number, the diffusion modulus, and the Biot number) on ion exchange breakthrough curve have been analyzed using this model. In addition, this integrated model has been used to optimize the regeneration frequency to improve the overall performance of ion exchange. It demonstrated this integrated model could be a useful tool for further studies in ion exchange technology.

  19. Modification of the National Weather Service Distributed Hydrologic Model for subsurface water exchanges between grids

    NASA Astrophysics Data System (ADS)

    Khakbaz, Behnaz; Imam, Bisher; Sorooshian, Soroosh; Koren, Victor I.; Cui, Zhengtao; Smith, Michael B.; Restrepo, Pedro

    2011-06-01

    To account for spatial variability of precipitation, as well as basin physiographic properties, the National Weather Service (NWS) has developed a distributed version of its hydrologic component, termed the Hydrology Laboratory-Research Distributed Hydrologic Model (HL-RDHM). Because channels are the only source of water exchange between neighboring computational elements, the absence of such exchange has been identified as a weakness in the model. The primary objective of this paper is to modify the model structure to account for subsurface water exchanges without dramatically altering the conceptual framework of the water balance module. The subsurface exchanges are established by partitioning the slow response components released from the lower layer storages into two parts: the first part involves the grid's conceptual channel, while the second is added to the lower layer storages of the downstream pixel. Realizing the deficiency of the water balance module to locate the lower zone layers in sufficient depths, a complementary study is conducted to test the feasibility of further improvement in the modified model by equally shifting downward the lower zone layers of all pixels over the basin. The Baron Fork at Eldon, Oklahoma, is chosen as the test basin. Ten years of grid-based multisensor precipitation data are used to investigate the effects of the modification, plus shifting the lower zone layers on model performance. The results show that the modified-shifted HL-RDHM can markedly improve the streamflow simulations at the interior point, as well as very high peak-flow simulations at the basin's outlet.

  20. Modeling the dynamic operation of a small fin plate heat exchanger - parametric analysis

    NASA Astrophysics Data System (ADS)

    Motyliński, Konrad; Kupecki, Jakub

    2015-09-01

    Given its high efficiency, low emissions and multiple fuelling options, the solid oxide fuel cells (SOFC) offer a promising alternative for stationary power generators, especially while engaged in micro-combined heat and power (μ-CHP) units. Despite the fact that the fuel cells are a key component in such power systems, other auxiliaries of the system can play a critical role and therefore require a significant attention. Since SOFC uses a ceramic material as an electrolyte, the high operating temperature (typically of the order of 700-900 °C) is required to achieve sufficient performance. For that reason both the fuel and the oxidant have to be preheated before entering the SOFC stack. Hot gases exiting the fuel cell stack transport substantial amount of energy which has to be partly recovered for preheating streams entering the stack and for heating purposes. Effective thermal integration of the μ-CHP can be achieved only when proper technical measures are used. The ability of efficiently preheating the streams of oxidant and fuel relies on heat exchangers which are present in all possible configurations of power system with solid oxide fuel cells. In this work a compact, fin plate heat exchanger operating in the high temperature regime was under consideration. Dynamic model was proposed for investigation of its performance under the transitional states of the fuel cell system. Heat exchanger was simulated using commercial modeling software. The model includes key geometrical and functional parameters. The working conditions of the power unit with SOFC vary due to the several factors, such as load changes, heating and cooling procedures of the stack and others. These issues affect parameters of the incoming streams to the heat exchanger. The mathematical model of the heat exchanger is based on a set of equations which are simultaneously solved in the iterative process. It enables to define conditions in the outlets of both the hot and the cold sides

  1. Model simulations of particle aggregation effect on colloid exchange between streams and streambeds.

    PubMed

    Areepitak, Trachu; Ren, Jianhong

    2011-07-01

    Colloids found in natural streams have large reactive surface areas, which makes them significant absorbents and carriers for pollutants. Stream-subsurface exchange plays a critical role in regulating the transport of colloids and contaminants in natural streams. Previous process-based multiphase exchange models were developed without consideration of colloid-colloid interaction. However, many studies have indicated that aggregation is a significant process and needs to be considered in stream process analysis. Herein, a new colloid exchange model was developed by including particle aggregation in addition to colloid settling and filtration. Self-preserving size distribution concepts and classical aggregation theory were employed to model the aggregation process. Model simulations indicate that under conditions of low filtration and high degree of particle-particle interaction, aggregation could either decrease or increase the amount of colloids retained in streambeds, depending on the initial particle size. Thus, two possible cases may occur including enhanced colloid deposition and facilitated colloid transport. Also, when the aggregation rate is high and filtration increases, more particles are retained by bed sediments due to filtration, and fewer are aggregated, which reduces the extent of aggregation effect on colloid deposition. The work presented here will contribute to a better understanding and prediction of colloid transport phenomena in natural streams.

  2. Model simulations of particle aggregation effect on colloid exchange between streams and streambeds.

    PubMed

    Areepitak, Trachu; Ren, Jianhong

    2011-07-01

    Colloids found in natural streams have large reactive surface areas, which makes them significant absorbents and carriers for pollutants. Stream-subsurface exchange plays a critical role in regulating the transport of colloids and contaminants in natural streams. Previous process-based multiphase exchange models were developed without consideration of colloid-colloid interaction. However, many studies have indicated that aggregation is a significant process and needs to be considered in stream process analysis. Herein, a new colloid exchange model was developed by including particle aggregation in addition to colloid settling and filtration. Self-preserving size distribution concepts and classical aggregation theory were employed to model the aggregation process. Model simulations indicate that under conditions of low filtration and high degree of particle-particle interaction, aggregation could either decrease or increase the amount of colloids retained in streambeds, depending on the initial particle size. Thus, two possible cases may occur including enhanced colloid deposition and facilitated colloid transport. Also, when the aggregation rate is high and filtration increases, more particles are retained by bed sediments due to filtration, and fewer are aggregated, which reduces the extent of aggregation effect on colloid deposition. The work presented here will contribute to a better understanding and prediction of colloid transport phenomena in natural streams. PMID:21627165

  3. Ferromagnetic resonance of an heterogeneous multilayer system with interlayer exchange coupling: an accessible model

    NASA Astrophysics Data System (ADS)

    Franco, A. F.; Landeros, P.

    2016-09-01

    We present a general model for the coupled magnetic resonances of an exchange interacting multilayer system, which can be implemented without complex analytical calculations or numerical simulations. The model allows one to study the spin wave modes of a multilayer structure with any number of layers, accounting for individual uniaxial and cubic anisotropies, and (static and dynamic) demagnetizing and external fields as well, assuming that only the interlayer exchange coupling mechanism is relevant between such magnetic layers. This scheme is applied to recent measurements of a NiFe/CoFe bilayer, and to studying the influence of the strength of ferromagnetic and antiferromagnetic exchange interactions and the applied field orientation on the spin wave modes and intensities of the ferromagnetic resonance response. We find that the acoustic oscillation mode tends to stabilize in frequency if the magnetizations of the layers are parallel to each other, while the optical mode stabilizes when the magnetizations are antiparallel. Furthermore, we find that each oscillation mode is governed by either the NiFe or the CoFe. The modes swap the governing layer as the perpendicular field increases, inducing a gap between their frequencies, which appears to be proportional to the exchange coupling. Finally, we find that the field linewidth of the bilayer due to Gilbert damping has a dependence on the frequency very similar to the linear dependence of the linewidth in single layers. The theoretical scheme presented here can be further used to explore magnetization dynamics in different multilayer architectures—such as exchange springs, structures with perpendicular magnetic anisotropy, and complex compositions of layer stacks—and can be useful as a basis to study multilayers with chiral and dipolar interactions.

  4. Oxygen isotopic transport and exchange during fluid flow: One-dimensional models and applications

    SciTech Connect

    Bowman, J.R. ); Willett, S.D. ); Cook, S.J. Environ Corp., Houston, TX )

    1994-01-01

    In this work the authors investigate the consequences of fluid flow and fluid-rock interaction to the isotopic evolution of fluids and rock with one-dimensional transport models of fluid flow and oxygen isotope exchange. Transport models dealing with stable isotopes are well established in recent geochemical literature. The authors extend previous treatments by presenting the derivation of both analytical and numerical solutions to the transport equations incorporating simultaneously advection, diffusion and hydrodynamic dispersion, and kinetics of isotopic exchange. The increased generality of numerical solutions allows the incorporation of other effects which control the spatial patterns of [delta][sup 18]O values developed in rocks and fluids including multiple reactive species and temperature gradients. The authors discuss the effects of flow parameters, conditions of isotopic exchange, and temperature gradients on the spatial patterns of isotopic shifts produced in rock sequences subjected to fluid flow, and on conventionally calculated W/R ratios for these rock sequences. Finally, the authors examine the implications of oxygen isotope transport for two natural systems where isotopic shifts or gradients could be interpreted in terms of unidirectional fluid infiltration. Solutions of one-dimensional transport equations including the mechanisms of advection, diffusion, hydrodynamic dispersion, and non-equilibrium exchange between water and rock indicate that the time-space evolution of oxygen isotopic compositions of rock and infiltrating fluid is dependent on (1) the rate of fluid infiltration, (2) the diffusive and dispersive properties of the rock matrix, (3) the rate of isotopic exchange, and (4) the rock-water mass oxygen ratio in a unit volume of water-saturated, porous rock. 56 refs., 18 figs., 2 tabs.

  5. A Personnel Exchange Model for Vocational Education, Business, and Industry. Skills/Experience Exchange Program. Project Report.

    ERIC Educational Resources Information Center

    Hutcheson, Peggy G.

    This project was begun to explore the feasibility of instituting a personnel exchange program for vocational education--at both the secondary and postsecondary levels--and business and industry in the metropolitan Atlanta area. Following a literature search for other programs and interviews with representatives of business and industry and of…

  6. Mass transfer model liquid phase catalytic exchange column simulation applicable to any column composition profile

    SciTech Connect

    Busigin, A.

    2015-03-15

    Liquid Phase Catalytic Exchange (LPCE) is a key technology used in water detritiation systems. Rigorous simulation of LPCE is complicated when a column may have both hydrogen and deuterium present in significant concentrations in different sections of the column. This paper presents a general mass transfer model for a homogenous packed bed LPCE column as a set of differential equations describing composition change, and equilibrium equations to define the mass transfer driving force within the column. The model is used to show the effect of deuterium buildup in the bottom of an LPCE column from non-negligible D atom fraction in the bottom feed gas to the column. These types of calculations are important in the design of CECE (Combined Electrolysis and Catalytic Exchange) water detritiation systems.

  7. HTO washout model: on the relationship between exchange rate and washout coefficient

    SciTech Connect

    Golubev, A.; Balashov, Y.; Mavrin, S.; Golubeva, V.; Galeriu, D.

    2015-03-15

    Washout coefficient Λ is widely used as a parameter in washout models. These models describes overall HTO washout with rain by a first-order kinetic equation, while washout coefficient Λ depends on the type of rain event and rain intensity and empirical parameters a, b. The washout coefficient is a macroscopic parameter and we have considered in this paper its relationship with a microscopic rate K of HTO isotopic exchange in atmospheric humidity and drops of rainwater. We have shown that the empirical parameters a, b can be represented through the rain event characteristics using the relationships of molecular impact rate, rain intensity and specific rain water content while washout coefficient Λ can be represented through the exchange rate K, rain intensity, raindrop diameter and terminal raindrop velocity.

  8. Land-atmosphere CO2 exchange simulated by a land surface process model coupled to an atmospheric general circulation model

    NASA Astrophysics Data System (ADS)

    Bonan, Gordon B.

    1995-02-01

    CO2 uptake during plant photosynthesis and CO2 loss during plant and microbial respiration were added to a land surface process model to simulate the diurnal and annual cycles of biosphere-atmosphere CO2 exchange. The model was coupled to a modified version of the National Center for Atmospheric Research (NCAR) Community Climate Model version 2 (CCM2), and the coupled model was run for 5 years. The geographic patterns of annual net primary production are qualitatively similar to other models. When compared by vegetation type, annual production and annual microbial respiration are consistent with other models, except for needleleaf evergreen tree vegetation, where production is too high, and semidesert vegetation, where production and microbial respiration are too low. The seasonality of the net CO2 flux agrees with other models in the southern hemisphere and the tropics. The diurnal range is large for photosynthesis and lower for plant and microbial respiration, which agrees with qualitative expectations. The simulation of the central United States is poor due to temperature and precipitation biases in the coupled model. Despite these deficiencies the current approach is a promising means to include terrestrial CO2 fluxes in a climate system model that simulates atmospheric CO2 concentrations, because it alleviates important parameterization discrepancies between standard biogeochemical models and the land surface models typically used in general circulation models, and because the model resolves the diurnal range of CO2 exchange, which can be large (15 - 45 micromol CO2 sq m/s).

  9. Model of Wikipedia growth based on information exchange via reciprocal arcs

    NASA Astrophysics Data System (ADS)

    Zlatić, V.; Štefančić, H.

    2011-03-01

    We show how reciprocal arcs significantly influence the structural organization of Wikipedias, online encyclopedias. It is shown that random addition of reciprocal arcs in the static network cannot explain the observed reciprocity of Wikipedias. A model of Wikipedia growth based on preferential attachment and on information exchange via reciprocal arcs is presented. An excellent agreement between in-degree distributions of our model and real Wikipedia networks is achieved without fitting the distributions, but by merely extracting a small number of model parameters from the measurement of real networks.

  10. Finite element modeling of 129Xe diffusive gas exchange NMR in the human alveoli

    NASA Astrophysics Data System (ADS)

    Stewart, Neil J.; Parra-Robles, Juan; Wild, Jim M.

    2016-10-01

    Existing models of 129Xe diffusive exchange for lung microstructural modeling with time-resolved MR spectroscopy data have considered analytical solutions to one-dimensional, homogeneous models of the lungs with specific assumptions about the alveolar geometry. In order to establish a model system for simulating the effects of physiologically-realistic changes in physical and microstructural parameters on 129Xe exchange NMR, we have developed a 3D alveolar capillary model for finite element analysis. To account for the heterogeneity of the alveolar geometry across the lungs, we have derived realistic geometries for finite element analysis based on 2D histological samples and 3D micro-CT image volumes obtained from ex vivo biopsies of lung tissue from normal subjects and patients with interstitial lung disease. The 3D alveolar capillary model permits investigation of the impact of alveolar geometrical parameters and diffusion and perfusion coefficients on the in vivo measured 129Xe CSSR signal response. The heterogeneity of alveolar microstructure that is accounted for in image-based models resulted in considerable alterations to the shape of the 129Xe diffusive uptake curve when compared to 1D models. Our findings have important implications for the future design and optimization of 129Xe MR experiments and in the interpretation of lung microstructural changes from this data.

  11. Finite element modeling of (129)Xe diffusive gas exchange NMR in the human alveoli.

    PubMed

    Stewart, Neil J; Parra-Robles, Juan; Wild, Jim M

    2016-10-01

    Existing models of (129)Xe diffusive exchange for lung microstructural modeling with time-resolved MR spectroscopy data have considered analytical solutions to one-dimensional, homogeneous models of the lungs with specific assumptions about the alveolar geometry. In order to establish a model system for simulating the effects of physiologically-realistic changes in physical and microstructural parameters on (129)Xe exchange NMR, we have developed a 3D alveolar capillary model for finite element analysis. To account for the heterogeneity of the alveolar geometry across the lungs, we have derived realistic geometries for finite element analysis based on 2D histological samples and 3D micro-CT image volumes obtained from ex vivo biopsies of lung tissue from normal subjects and patients with interstitial lung disease. The 3D alveolar capillary model permits investigation of the impact of alveolar geometrical parameters and diffusion and perfusion coefficients on the in vivo measured (129)Xe CSSR signal response. The heterogeneity of alveolar microstructure that is accounted for in image-based models resulted in considerable alterations to the shape of the (129)Xe diffusive uptake curve when compared to 1D models. Our findings have important implications for the future design and optimization of (129)Xe MR experiments and in the interpretation of lung microstructural changes from this data.

  12. Finite element modeling of (129)Xe diffusive gas exchange NMR in the human alveoli.

    PubMed

    Stewart, Neil J; Parra-Robles, Juan; Wild, Jim M

    2016-10-01

    Existing models of (129)Xe diffusive exchange for lung microstructural modeling with time-resolved MR spectroscopy data have considered analytical solutions to one-dimensional, homogeneous models of the lungs with specific assumptions about the alveolar geometry. In order to establish a model system for simulating the effects of physiologically-realistic changes in physical and microstructural parameters on (129)Xe exchange NMR, we have developed a 3D alveolar capillary model for finite element analysis. To account for the heterogeneity of the alveolar geometry across the lungs, we have derived realistic geometries for finite element analysis based on 2D histological samples and 3D micro-CT image volumes obtained from ex vivo biopsies of lung tissue from normal subjects and patients with interstitial lung disease. The 3D alveolar capillary model permits investigation of the impact of alveolar geometrical parameters and diffusion and perfusion coefficients on the in vivo measured (129)Xe CSSR signal response. The heterogeneity of alveolar microstructure that is accounted for in image-based models resulted in considerable alterations to the shape of the (129)Xe diffusive uptake curve when compared to 1D models. Our findings have important implications for the future design and optimization of (129)Xe MR experiments and in the interpretation of lung microstructural changes from this data. PMID:27526397

  13. Biased thermohaline exchanges with the Arctic across the Iceland-Faroe Ridge in ocean climate models

    NASA Astrophysics Data System (ADS)

    Olsen, S. M.; Hansen, B.; Østerhus, S.; Quadfasel, D.; Valdimarsson, H.

    2016-04-01

    The northern limb of the Atlantic thermohaline circulation and its transport of heat and salt towards the Arctic strongly modulate the climate of the Northern Hemisphere. The presence of warm surface waters prevents ice formation in parts of the Arctic Mediterranean, and ocean heat is directly available for sea-ice melt, while salt transport may be critical for the stability of the exchanges. Through these mechanisms, ocean heat and salt transports play a disproportionally strong role in the climate system, and realistic simulation is a requisite for reliable climate projections. Across the Greenland-Scotland Ridge (GSR) this occurs in three well-defined branches where anomalies in the warm and saline Atlantic inflow across the shallow Iceland-Faroe Ridge (IFR) have been shown to be particularly difficult to simulate in global ocean models. This branch (IF-inflow) carries about 40 % of the total ocean heat transport into the Arctic Mediterranean and is well constrained by observation during the last 2 decades but associated with significant inter-annual fluctuations. The inconsistency between model results and observational data is here explained by the inability of coarse-resolution models to simulate the overflow across the IFR (IF-overflow), which feeds back onto the simulated IF-inflow. In effect, this is reduced in the model to reflect only the net exchange across the IFR. Observational evidence is presented for a substantial and persistent IF-overflow and mechanisms that qualitatively control its intensity. Through this, we explain the main discrepancies between observed and simulated exchange. Our findings rebuild confidence in modelled net exchange across the IFR, but reveal that compensation of model deficiencies here through other exchange branches is not effective. This implies that simulated ocean heat transport to the Arctic is biased low by more than 10 % and associated with a reduced level of variability, while the quality of the simulated salt

  14. Potential Impact of Rainfall on the Air-Surface Exchange of Total Gaseous Mercury from Two Common Urban Ground Surfaces

    EPA Science Inventory

    The impact of rainfall on total gaseous mercury (TGM) flux from pavement and street dirt surfaces was investigated in an effort to determine the influence of wet weather events on mercury transport in urban watersheds. Street dirt and pavement are common urban ground surfaces tha...

  15. Air-surface exchange of nonmethane organic compounds at a Grassland site: seasonal variations and stressed emissions.

    SciTech Connect

    Fukui, Y.; Doskey, P. V.; Environmental Research

    1998-06-20

    Emissions of nonmethane organic compounds (NMOCs) were measured by a static enclosure technique at a grassland site in the Midwestern United States during the growing seasons over a 2-year period. A mixture of nonmethane hydrocarbons (NMHCs) and oxygenated hydrocarbons (OxHCs) was emitted from the surface at rates exhibiting large seasonal and year-to-year variations. The average emission rate (and standard error) of the total NMOCs around noontime on sunny days during the growing seasons for the 2-year period was 1,300 {+-} 170 {micro}g m-2 h-1 (mass of the total NMOCs per area of enclosed soil surface per hour) or 5.5 {+-} 0.9 {micro}g g-1 h-1 (mass of the total NMOCs per mass of dry plant biomass in an enclosure per hour), with about 10% and 70% of the emissions being composed of tentatively identified NMHCs and OxHCs, respectively. Methanol was apparently derived from both the soil and vegetation and exhibited an average emission rate of 460 {+-} 73 {micro}g m-2 h-1 (1.4 {+-} 0.2 {micro}g g-1 h-1), which was the largest emission among the NMOCs. The year-to-year variation in the precipitation pattern greatly affected the NMOC emission rates. Emission rates normalized to biomass density exhibited a linear decrease as the growing season progressed. The emission rates of some NMOCs, particularly the OxHCs, from vegetation subjected to hypoxia, frost, and physical stresses were significantly greater than the average values observed at the site. Emissions of monoterpenes (a- and {beta}-pinene, limonene, and myrcene) and cis-3-hexen-1-ol were accelerated during the flowering of the plants and were much greater than those predicted by algorithms that correlated emission rates with temperature. Herbaceous vegetation is estimated to contribute about 40% and 50% of the total NMOC and monoterpene emissions, respectively, in grasslands; the remaining contributions are from woody species within grasslands. Contributions of isoprene emissions from herbaceous vegetation in grasslands are negligible. Grasslands are estimated to contribute about 10% of the total biogenic NMOC emissions in the United States.

  16. Modeling ion exchange in glass with concentration-dependent diffusion coefficients and mobilities

    NASA Astrophysics Data System (ADS)

    Lupascu, Alexandru I.; Kevorkian, Antoine P.; Boudet, Thierry; Saint-Andre, Francoise; Persegol, Dominique; Levy, Michel

    1996-06-01

    Multimode buried waveguides made in silicate glass by field-assisted ion exchange present very asymmetric profiles. We show how this phenomenon originates in the large dependence of the kinetics on the local ion concentrations. For this purpose, we derive an interdiffusion equation that includes the effects of concentration-dependent diffusion coefficients and mobilities. We show how to deduce this dependence from measurements on ion- diffused samples. The maximum concentration of the incoming ions is computed from surface equilibrium conditions and is used in the interdiffusion equation as a limiting parameter for coefficient variations. To control the model accuracy for surface as well as buried waveguides, we measure ion profiles with three independent methods: M-lines, scanning electron microscopy, and near-field refractometry. When applied to Ag+-Na+ exchange in silicate glass, the model yields theoretical estimations in good agreement with experiments. This approach underlines the fundamentally nonlinear process that takes place during ion exchange and is also valuable to properly model singlemode waveguide fabrication.

  17. Bose-Hubbard model on a kagome lattice with sextic ring-exchange terms

    NASA Astrophysics Data System (ADS)

    Rousseau, Valéry G.; Tam, Ka-Ming; Jarrell, Mark; Moreno, Juana

    2013-02-01

    High-order ring-exchange interactions are crucial for the study of quantum fluctuations on many highly frustrated systems. A versatile and efficient quantum Monte Carlo method, which can handle finite and essentially zero temperature and canonical and grand-canonical ensembles, has long been sought. In this paper, we present an exact quantum Monte Carlo study of a model of hard-core bosons with sixth-order ring-exchange interactions on a two-dimensional kagome lattice. By using the stochastic Green function algorithm with global space-time update, we show that the system becomes unstable in the limit of large ring-exchange interactions. It undergoes a phase separation at all fillings, except at (1)/(3) and (2)/(3) fillings for which the superfluid density vanishes and an unusual mixed valence bond and charge density ordered solid is formed. This explains the universal features seen in previous studies on various different models, such as the transverse-field Ising models, on a kagome lattice near the classical limit.

  18. Modeling and forecasting foreign exchange daily closing prices with normal inverse Gaussian

    NASA Astrophysics Data System (ADS)

    Teneng, Dean

    2013-09-01

    We fit the normal inverse Gaussian(NIG) distribution to foreign exchange closing prices using the open software package R and select best models by Käärik and Umbleja (2011) proposed strategy. We observe that daily closing prices (12/04/2008 - 07/08/2012) of CHF/JPY, AUD/JPY, GBP/JPY, NZD/USD, QAR/CHF, QAR/EUR, SAR/CHF, SAR/EUR, TND/CHF and TND/EUR are excellent fits while EGP/EUR and EUR/GBP are good fits with a Kolmogorov-Smirnov test p-value of 0.062 and 0.08 respectively. It was impossible to estimate normal inverse Gaussian parameters (by maximum likelihood; computational problem) for JPY/CHF but CHF/JPY was an excellent fit. Thus, while the stochastic properties of an exchange rate can be completely modeled with a probability distribution in one direction, it may be impossible the other way around. We also demonstrate that foreign exchange closing prices can be forecasted with the normal inverse Gaussian (NIG) Lévy process, both in cases where the daily closing prices can and cannot be modeled by NIG distribution.

  19. Mass exchange in an experimental new-generation LSS model based on biological regeneration of envirnment

    NASA Astrophysics Data System (ADS)

    Tikhomirov, A.; Ushakova, S.; Gribovskaya, I.; Tirranen, L.; Manukovsky, N.; Zolotukhin, I.; Gros, J.; Lasseur, C.

    Experimental model of a biological life support system (LSS) was used to evaluate qualitative and quantitative parameters of inner mass exchange. The photosynthesizing block was the higher plants component (wheat, 3 radish), the heterotroph block consisted of the soil-like substrate (SLS) California worms, mushrooms and microbial microflora. In terms of gas composition the mass exchange process involved emission of oxygen by the photosynthesiz ing component and its uptake by the heterotroph component along with formation and maintaining the SLS structure, growth of mushrooms, California worms, human respiration and several other processes. Human presence in the system had the form of a "part of virtual human" that at regular intervals took part in the respiration gas exchange to get engaged in the respiration gas exchange in the course of calculated period of time. Experimental data demonstrated good agreement of ? 2 /? ? 2 balance which, in these gas components, was close to complete. Basic component in the water mass exchange were transpiration water and aqueous watering solution with mineral elements. Human consumption of the harvest biomass of plants (seeds and roots) was simulated by processing hese production by a genuine physical - chemicalt method of oxidizing to inorganic mineral compounds that were returned into the system and fully assimilated by the plants. Such an oxidation was achieved by "wet incineration" of organic biomass using hydrogen peroxide by a special process where high temperature and pressure are not needed, and hydrogen peroxide is produced from the water inside the system. The turnover was estimated in terms of individual biogenous elements. Specifically, experiments showed that in terms of sulfur, carbon and several other elements the closedness was almost 100%. Applications opportunities of the experimental biological system considered are under discussion.

  20. Duality and Stationary Distributions of the "Immediate Exchange Model" and Its Generalizations

    NASA Astrophysics Data System (ADS)

    van Ginkel, Bart; Redig, Frank; Sau, Federico

    2016-04-01

    We study the "Immediate Exchange Model", a wealth distribution model introduced in Heinsalu and Patriarca (Eur Phys J B 87:170, 2014). We prove that the model has a discrete dual, where the duality functions are natural polynomials associated to the Gamma distribution with shape parameter 2 and are exactly those connecting the Brownian Energy Process (with parameter 2) and the corresponding Symmetric Inclusion Process in Carinci et al. (J Stat Phys 152:657-697, 2013) and Giardinà et al. (J Stat Phys 135(1):25-55, 2009). As a consequence, we recover invariance of products of Gamma distributions with shape parameter 2, and obtain ergodicity results. Next we show similar properties for a more general model, where the exchange fraction is Beta(s, t) distributed, and product measures with text{ Gamma }(s+t) marginals are invariant. We also show that the discrete dual model itself is self-dual and has the original continuous model as its scaling limit. We show that the self-duality is linked with an underlying SU(1, 1) symmetry, reminiscent of the one found before for the Symmetric Inclusion Process and related processes.

  1. A self-regulating antimicrobial model based on the ion-exchange stimuli.

    PubMed

    Huang, Xiaobo; Liu, Yinping; Chang, Chengliang; Jiao, Longan; Hang, Ruiqiang; Tang, Bin

    2015-07-01

    In this study, a novel intelligent antimicrobial model was constructed based on the antibiotic properties of nano-silver and the ion-exchange response of dehydrated alginate (Alg) gel. Through the process of reducing reaction, hydrogel formation and dehydration, the model composed of Alg and nano-silver was fabricated. The distinguished feature of this model lies in its antimicrobial properties and biocompatibility. In this model, the releasing level of nano-silver is determined by the outside-in swelling of Alg composites, which is further self-regulated by the volume of wound exudates. The results showed that the released nano-silver was intelligently maintained within a constant concentration range, so that it could be further designed to exhibit antimicrobial activity without cytotoxicity. Furthermore, the murine wound infection model conducted with these composites resulted in a significant decrease of bacteria number. The self-regulating swelling feature based on the ion-exchange response of Alg along with the controlled release of nano-silver made this composite a promising intelligent model for antimicrobial wound dressing applications.

  2. Exchange-bias in amorphous ferromagnetic and polycrystalline antiferromagnetic bilayers: Structural study and micromagnetic modeling

    NASA Astrophysics Data System (ADS)

    Kohn, A.; Dean, J.; Kovacs, A.; Zeltser, A.; Carey, M. J.; Geiger, D.; Hrkac, G.; Schrefl, T.; Allwood, D.

    2011-04-01

    We study the role of the structure of antiferromagnetic polycrystalline metallic films in determining the magnetic properties of an exchange-coupled amorphous ferromagnetic layer. The bilayers are sputter-deposited, highly textured {111} Ir22Mn78 and Co65.5Fe14.5B20 thin films. We focus on structural characterization of Ir22Mn78 as a function of layer thickness in the range having the strongest influence over the exchange-bias field and training effect. We have used transmission electron microscopy to characterize defects in the form of interface steps and roughness, interdiffusion, twin- and grain-boundaries. Such defects can result in uncompensated magnetic spins in the antiferromagnet, which then contribute to exchange-bias. These experimental results form the basis of a general model, which uses finite element micromagnetic simulations. The model incorporates the experimental structural parameters of the bilayer by implementing a surface integral technique that allows numerical calculations to solve the transition from an amorphous to a granular structure. As a result, a detailed calculation of the underlying magnetic structure within the antiferromagnetic material is achieved. These calculations are in good agreement with micromagnetic imaging using Lorentz transmission electron microscopy and the macro-magnetic properties of these bilayers.

  3. Advances in understanding, models and parameterizations of biosphere-atmosphere ammonia exchange

    NASA Astrophysics Data System (ADS)

    Flechard, C. R.; Massad, R.-S.; Loubet, B.; Personne, E.; Simpson, D.; Bash, J. O.; Cooter, E. J.; Nemitz, E.; Sutton, M. A.

    2013-07-01

    Atmospheric ammonia (NH3) dominates global emissions of total reactive nitrogen (Nr), while emissions from agricultural production systems contribute about two-thirds of global NH3 emissions; the remaining third emanates from oceans, natural vegetation, humans, wild animals and biomass burning. On land, NH3 emitted from the various sources eventually returns to the biosphere by dry deposition to sink areas, predominantly semi-natural vegetation, and by wet and dry deposition as ammonium (NH4+) to all surfaces. However, the land/atmosphere exchange of gaseous NH3 is in fact bi-directional over unfertilized as well as fertilized ecosystems, with periods and areas of emission and deposition alternating in time (diurnal, seasonal) and space (patchwork landscapes). The exchange is controlled by a range of environmental factors, including meteorology, surface layer turbulence, thermodynamics, air and surface heterogeneous-phase chemistry, canopy geometry, plant development stage, leaf age, organic matter decomposition, soil microbial turnover, and, in agricultural systems, by fertilizer application rate, fertilizer type, soil type, crop type, and agricultural management practices. We review the range of processes controlling NH3 emission and uptake in the different parts of the soil-canopy-atmosphere continuum, with NH3 emission potentials defined at the substrate and leaf levels by different [NH4+] / [H+] ratios (Γ). Surface/atmosphere exchange models for NH3 are necessary to compute the temporal and spatial patterns of emissions and deposition at the soil, plant, field, landscape, regional and global scales, in order to assess the multiple environmental impacts of airborne and deposited NH3 and NH4+. Models of soil/vegetation/atmosphere NH3 exchange are reviewed from the substrate and leaf scales to the global scale. They range from simple steady-state, "big leaf" canopy resistance models, to dynamic, multi-layer, multi-process, multi-chemical species schemes

  4. Advances in understanding, models and parameterisations of biosphere-atmosphere ammonia exchange

    NASA Astrophysics Data System (ADS)

    Flechard, C. R.; Massad, R.-S.; Loubet, B.; Personne, E.; Simpson, D.; Bash, J. O.; Cooter, E. J.; Nemitz, E.; Sutton, M. A.

    2013-03-01

    Atmospheric ammonia (NH3) dominates global emissions of total reactive nitrogen (Nr), while emissions from agricultural production systems contribute about two thirds of global NH3 emissions; the remaining third emanates from oceans, natural vegetation, humans, wild animals and biomass burning. On land, NH3 emitted from the various sources eventually returns to the biosphere by dry deposition to sink areas, predominantly semi-natural vegetation, and by wet and dry deposition as ammonium (NH4+) to all surfaces. However, the land/atmosphere exchange of gaseous NH3 is in fact bi-directional over unfertilized as well as fertilized ecosystems, with periods and areas of emission and deposition alternating in time (diurnal, seasonal) and space (patchwork landscapes). The exchange is controlled by a range of environmental factors, including meteorology, surface layer turbulence, thermodynamics, air and surface heterogeneous-phase chemistry, canopy geometry, plant development stage, leaf age, organic matter decomposition, soil microbial turnover, and, in agricultural systems, by fertilizer application rate, fertilizer type, soil type, crop type, and agricultural management practices. We review the range of processes controlling NH3 emission and uptake in the different parts of the soil-canopy-atmosphere continuum, with NH3 emission potentials defined at the substrate and leaf levels by different [NH4+] / [H+] ratios (Γ). Surface/atmosphere exchange models for NH3 are necessary to compute the temporal and spatial patterns of emissions and deposition at the soil, plant, field, landscape, regional and global scales, in order to assess the multiple environmental impacts of air-borne and deposited NH3 and NH4+. Models of soil/vegetation/atmosphereem NH3 exchange are reviewed from the substrate and leaf scales to the global scale. They range from simple steady-state, "big leaf" canopy resistance models, to dynamic, multi-layer, multi-process, multi

  5. Nonlinear diffusion model for annealed proton-exchanged waveguides in zirconium-doped lithium niobate.

    PubMed

    Langrock, Carsten; Roussev, Rostislav V; Nava, Giovanni; Minzioni, Paolo; Argiolas, Nicola; Sada, Cinzia; Fejer, Martin M

    2016-08-20

    Photorefractive-damage- (PRD) resistant zirconium-oxide-doped lithium niobate is investigated as a substrate for the realization of annealed proton-exchanged (APE) waveguides. Its advantages are a favorable distribution coefficient, PRD resistance comparable to magnesium-oxide-doped lithium niobate, and a proton-diffusion behavior resembling congruent lithium niobate. A 1D model for APE waveguides was developed based on a previous model for congruently melting lithium niobate. Evidence for a nonlinear index dependence on concentration was found. PMID:27556972

  6. Mathematical Modeling of Cation Contamination in a Proton-exchange Membrane

    SciTech Connect

    Weber, Adam; Delacourt, Charles

    2008-09-11

    Transport phenomena in an ion-exchange membrane containing both H+ and K+ are described using multicomponent diffusion equations (Stefan-Maxwell). A model is developed for transport through a Nafion 112 membrane in a hydrogen-pump setup. The model results are analyzed to quantify the impact of cation contamination on cell potential. It is shown that limiting current densities can result due to a decrease in proton concentration caused by the build-up of contaminant ions. An average cation concentration of 30 to 40 percent is required for appreciable effects to be noticed under typical steady-state operating conditions.

  7. Relativistic proton-nucleus scattering and one-boson-exchange models

    NASA Technical Reports Server (NTRS)

    Maung, Khin Maung; Gross, Franz; Tjon, J. A.; Townsend, L. W.; Wallace, S. J.

    1993-01-01

    Relativistic p-(Ca-40) elastic scattering observables are calculated using four sets of relativistic NN amplitudes obtained from different one-boson-exchange (OBE) models. The first two sets are based upon a relativistic equation in which one particle is on mass shell and the other two sets are obtained from a quasipotential reduction of the Bethe-Salpeter equation. Results at 200, 300, and 500 MeV are presented for these amplitudes. Differences between the predictions of these models provide a study of the uncertainty in constructing Dirac optical potentials from OBE-based NN amplitudes.

  8. A relativistic meson-exchange model of pion-nucleon scattering

    SciTech Connect

    Lee, T.S.H.; Hung, C.T.; Yang, S.N.

    1995-08-01

    Pion-nucleon scattering is investigated using the Kadshevsky three-dimensional reduction of the Bethe-Salpeter equation. The resulting potential includes the direct and crossed N and {Delta} terms, and the t-channel {sigma}- and {rho}-exchange terms. The nucleon-pole condition is imposed to define the renormalization of the nucleon mass and the {pi}NN coupling constant. A mixture of the scalar and vector {sigma}{pi}{pi} couplings is introduced to simulate the broad width of the s-wave correlated two-pion exchange mechanism. Good descriptions of the {pi}N phase shifts up to 400 MeV have been obtained in all S- and P-waves. The off-shell behavior for our model differs significantly from that obtained using different reductions. A paper describing our results was published.

  9. On the similarity between exchangeable profiles: A psychometric model, analytic strategy, and empirical illustration

    PubMed Central

    Furr, R. Michael; Wood, Dustin

    2013-01-01

    Analyses of profile similarity are widespread in personality psychology, but their apparent simplicity masks difficult psychometric and statistical issues. We present a psychometric framework that addresses an important challenge (i.e., profile normativeness) in examinations of dyadic exchangeable profiles. In addition, we present an analytic strategy accounting for non-independence that often arises in analyses of profile similarity, facilitating integrated examinations of variables at dyadic and individual levels. An empirical analysis of personality similarity and relationship quality demonstrates that the model and analytic strategy can reveal novel psychological insights. These are important advances, as previous work has ignored exchangeable profiles and has failed to present an integrated psychometric and statistical framework for profile similarity. PMID:24039314

  10. Modelling the soil-atmosphere exchange of POPs: Long-term steady state and diurnal fluctuations

    NASA Astrophysics Data System (ADS)

    Bao, Z.; Beckingham, B.; Maier, U.; Haberer, C.; Grathwohl, P.

    2014-12-01

    Soil-atmosphere exchange is an important transport process influencing environmental fate and transport of many persistent organic pollutants (POPs). This study focuses on modelling the gaseous exchange of a semi-volatile polycyclic aromatic hydrocarbon (phenanthrene) between soil and the atmosphere using the multicomponent reactive transport code MIN3P. MIN3P is typically applied to simulate aqueous and vapor phase subsurface transport and reaction processes. We extended the code to also include an atmospheric boundary layer where eddy diffusion and photodegradation take place. The relevant processes and parameters affecting soil-atmosphere exchange were investigated in several scenarios and at various time scales. We found that phenanthrene is well-mixed in the atmospheric boundary layer under neutral or stable atmospheric conditions due to fast eddy diffusion. Uptake of airborne phenanthrene to soils is limited by the soil properties and initially depends on diffusion in soil gas and sorption to the solids. On the long term seepage water dominates transport into deeper soil layers; biodegradation finally leads to steady-state concentration profiles in the subsurface typically achieved after a few centuries. If concentrations in the atmosphere decrease, e.g. due to environmental legislation, then soils become sources for the POPs for the first two months and function as sinks again for the POPs until new steady state concentrations are reached (after decades to centuries). MIN3P was also used to simulate diurnal soil-atmosphere exchanges of airborne pollutants due to temperature changes and photodegradation, both which cause fluctuations in atmospheric concentrations and therefore affect mass transfer between soil and the atmosphere. The model can further be applied to estimate the environmental fate of other POPs between soil and the atmosphere under different environmental pollution and climate change scenarios.

  11. An Analytical Model for Estimating Water Exchange Rate in White Matter Using Diffusion MRI

    PubMed Central

    Davoodi-Bojd, Esmaeil; Chopp, Michael; Soltanian-Zadeh, Hamid; Wang, Shiyang; Ding, Guangliang; Jiang, Quan

    2014-01-01

    Substantial effort is being expended on using micro-structural modeling of the white matter, with the goal of relating diffusion weighted magnetic resonance imaging (DWMRI) to the underlying structure of the tissue, such as axonal density. However, one of the important parameters affecting diffusion is the water exchange rate between the intra- and extra-axonal space, which has not been fully investigated and is a crucial marker of brain injury such as multiple sclerosis (MS), stroke, and traumatic brain injury (TBI). To our knowledge, there is no diffusion analytical model which includes the Water eXchange Rate (WXR) without the requirement of short gradient pulse (SGP) approximation. We therefore propose a new analytical model by deriving the diffusion signal for a permeable cylinder, assuming a clinically feasible pulse gradient spin echo (PGSE) sequence. Simulations based on Markov Random Walk confirm that the exchange parameter included in our model has a linear correlation (R2>0.88) with the actual WXR. Moreover, increasing WXR causes the estimated values of diameter and volume fraction of the cylinders to increase and decrease, respectively, which is consistent with our findings from histology measurements in tissues near TBI regions. This model was also applied to the diffusion signal acquired from ex vivo brains of 14 male (10 TBI and 4 normal) rats using hybrid diffusion imaging. The estimated values of axon diameter and axonal volume fraction are in agreement with their corresponding histological measurements in normal brains, with 0.96 intra-class correlation coefficient value resulting from consistency analysis. Moreover, a significant increase (p = 0.001) in WXR and diameter and decrease in axonal volume fraction in the TBI boundary were detected in the TBI rats compared with the normal rats. PMID:24836290

  12. An Evaluation of Solution Algorithms and Numerical Approximation Methods for Modeling an Ion Exchange Process

    PubMed Central

    Bu, Sunyoung; Huang, Jingfang; Boyer, Treavor H.; Miller, Cass T.

    2010-01-01

    The focus of this work is on the modeling of an ion exchange process that occurs in drinking water treatment applications. The model formulation consists of a two-scale model in which a set of microscale diffusion equations representing ion exchange resin particles that vary in size and age are coupled through a boundary condition with a macroscopic ordinary differential equation (ODE), which represents the concentration of a species in a well-mixed reactor. We introduce a new age-averaged model (AAM) that averages all ion exchange particle ages for a given size particle to avoid the expensive Monte-Carlo simulation associated with previous modeling applications. We discuss two different numerical schemes to approximate both the original Monte Carlo algorithm and the new AAM for this two-scale problem. The first scheme is based on the finite element formulation in space coupled with an existing backward-difference-formula-based ODE solver in time. The second scheme uses an integral equation based Krylov deferred correction (KDC) method and a fast elliptic solver (FES) for the resulting elliptic equations. Numerical results are presented to validate the new AAM algorithm, which is also shown to be more computationally efficient than the original Monte Carlo algorithm. We also demonstrate that the higher order KDC scheme is more efficient than the traditional finite element solution approach and this advantage becomes increasingly important as the desired accuracy of the solution increases. We also discuss issues of smoothness, which affect the efficiency of the KDC-FES approach, and outline additional algorithmic changes that would further improve the efficiency of these developing methods for a wide range of applications. PMID:20577570

  13. An evaluation of solution algorithms and numerical approximation methods for modeling an ion exchange process

    NASA Astrophysics Data System (ADS)

    Bu, Sunyoung; Huang, Jingfang; Boyer, Treavor H.; Miller, Cass T.

    2010-07-01

    The focus of this work is on the modeling of an ion exchange process that occurs in drinking water treatment applications. The model formulation consists of a two-scale model in which a set of microscale diffusion equations representing ion exchange resin particles that vary in size and age are coupled through a boundary condition with a macroscopic ordinary differential equation (ODE), which represents the concentration of a species in a well-mixed reactor. We introduce a new age-averaged model (AAM) that averages all ion exchange particle ages for a given size particle to avoid the expensive Monte-Carlo simulation associated with previous modeling applications. We discuss two different numerical schemes to approximate both the original Monte-Carlo algorithm and the new AAM for this two-scale problem. The first scheme is based on the finite element formulation in space coupled with an existing backward difference formula-based ODE solver in time. The second scheme uses an integral equation based Krylov deferred correction (KDC) method and a fast elliptic solver (FES) for the resulting elliptic equations. Numerical results are presented to validate the new AAM algorithm, which is also shown to be more computationally efficient than the original Monte-Carlo algorithm. We also demonstrate that the higher order KDC scheme is more efficient than the traditional finite element solution approach and this advantage becomes increasingly important as the desired accuracy of the solution increases. We also discuss issues of smoothness, which affect the efficiency of the KDC-FES approach, and outline additional algorithmic changes that would further improve the efficiency of these developing methods for a wide range of applications.

  14. An Evaluation of Solution Algorithms and Numerical Approximation Methods for Modeling an Ion Exchange Process.

    PubMed

    Bu, Sunyoung; Huang, Jingfang; Boyer, Treavor H; Miller, Cass T

    2010-07-01

    The focus of this work is on the modeling of an ion exchange process that occurs in drinking water treatment applications. The model formulation consists of a two-scale model in which a set of microscale diffusion equations representing ion exchange resin particles that vary in size and age are coupled through a boundary condition with a macroscopic ordinary differential equation (ODE), which represents the concentration of a species in a well-mixed reactor. We introduce a new age-averaged model (AAM) that averages all ion exchange particle ages for a given size particle to avoid the expensive Monte-Carlo simulation associated with previous modeling applications. We discuss two different numerical schemes to approximate both the original Monte Carlo algorithm and the new AAM for this two-scale problem. The first scheme is based on the finite element formulation in space coupled with an existing backward-difference-formula-based ODE solver in time. The second scheme uses an integral equation based Krylov deferred correction (KDC) method and a fast elliptic solver (FES) for the resulting elliptic equations. Numerical results are presented to validate the new AAM algorithm, which is also shown to be more computationally efficient than the original Monte Carlo algorithm. We also demonstrate that the higher order KDC scheme is more efficient than the traditional finite element solution approach and this advantage becomes increasingly important as the desired accuracy of the solution increases. We also discuss issues of smoothness, which affect the efficiency of the KDC-FES approach, and outline additional algorithmic changes that would further improve the efficiency of these developing methods for a wide range of applications.

  15. An analytical model for estimating water exchange rate in white matter using diffusion MRI.

    PubMed

    Davoodi-Bojd, Esmaeil; Chopp, Michael; Soltanian-Zadeh, Hamid; Wang, Shiyang; Ding, Guangliang; Jiang, Quan

    2014-01-01

    Substantial effort is being expended on using micro-structural modeling of the white matter, with the goal of relating diffusion weighted magnetic resonance imaging (DWMRI) to the underlying structure of the tissue, such as axonal density. However, one of the important parameters affecting diffusion is the water exchange rate between the intra- and extra-axonal space, which has not been fully investigated and is a crucial marker of brain injury such as multiple sclerosis (MS), stroke, and traumatic brain injury (TBI). To our knowledge, there is no diffusion analytical model which includes the Water eXchange Rate (WXR) without the requirement of short gradient pulse (SGP) approximation. We therefore propose a new analytical model by deriving the diffusion signal for a permeable cylinder, assuming a clinically feasible pulse gradient spin echo (PGSE) sequence. Simulations based on Markov Random Walk confirm that the exchange parameter included in our model has a linear correlation (R2>0.88) with the actual WXR. Moreover, increasing WXR causes the estimated values of diameter and volume fraction of the cylinders to increase and decrease, respectively, which is consistent with our findings from histology measurements in tissues near TBI regions. This model was also applied to the diffusion signal acquired from ex vivo brains of 14 male (10 TBI and 4 normal) rats using hybrid diffusion imaging. The estimated values of axon diameter and axonal volume fraction are in agreement with their corresponding histological measurements in normal brains, with 0.96 intra-class correlation coefficient value resulting from consistency analysis. Moreover, a significant increase (p = 0.001) in WXR and diameter and decrease in axonal volume fraction in the TBI boundary were detected in the TBI rats compared with the normal rats.

  16. A Survey of Non-Exchangeable Priors for Bayesian Nonparametric Models.

    PubMed

    Foti, Nicholas J; Williamson, Sinead A

    2015-02-01

    Dependent nonparametric processes extend distributions over measures, such as the Dirichlet process and the beta process, to give distributions over collections of measures, typically indexed by values in some covariate space. Such models are appropriate priors when exchangeability assumptions do not hold, and instead we want our model to vary fluidly with some set of covariates. Since the concept of dependent nonparametric processes was formalized by MacEachern, there have been a number of models proposed and used in the statistics and machine learning literatures. Many of these models exhibit underlying similarities, an understanding of which, we hope, will help in selecting an appropriate prior, developing new models, and leveraging inference techniques. PMID:26353247

  17. Password-Only Authenticated Three-Party Key Exchange with Provable Security in the Standard Model

    PubMed Central

    Nam, Junghyun; Kim, Junghwan; Kang, Hyun-Kyu; Kim, Jinsoo; Paik, Juryon

    2014-01-01

    Protocols for password-only authenticated key exchange (PAKE) in the three-party setting allow two clients registered with the same authentication server to derive a common secret key from their individual password shared with the server. Existing three-party PAKE protocols were proven secure under the assumption of the existence of random oracles or in a model that does not consider insider attacks. Therefore, these protocols may turn out to be insecure when the random oracle is instantiated with a particular hash function or an insider attack is mounted against the partner client. The contribution of this paper is to present the first three-party PAKE protocol whose security is proven without any idealized assumptions in a model that captures insider attacks. The proof model we use is a variant of the indistinguishability-based model of Bellare, Pointcheval, and Rogaway (2000), which is one of the most widely accepted models for security analysis of password-based key exchange protocols. We demonstrated that our protocol achieves not only the typical indistinguishability-based security of session keys but also the password security against undetectable online dictionary attacks. PMID:24977229

  18. Closed-Loop Brain Model of Neocortical Information-Based Exchange

    PubMed Central

    Kozloski, James

    2016-01-01

    Here we describe an “information-based exchange” model of brain function that ascribes to neocortex, basal ganglia, and thalamus distinct network functions. The model allows us to analyze whole brain system set point measures, such as the rate and heterogeneity of transitions in striatum and neocortex, in the context of neuromodulation and other perturbations. Our closed-loop model is grounded in neuroanatomical observations, proposing a novel “Grand Loop” through neocortex, and invokes different forms of plasticity at specific tissue interfaces and their principle cell synapses to achieve these transitions. By implementing a system for maximum information-based exchange of action potentials between modeled neocortical areas, we observe changes to these measures in simulation. We hypothesize that similar dynamic set points and modulations exist in the brain's resting state activity, and that different modifications to information-based exchange may shift the risk profile of different component tissues, resulting in different neurodegenerative diseases. This model is targeted for further development using IBM's Neural Tissue Simulator, which allows scalable elaboration of networks, tissues, and their neural and synaptic components toward ever greater complexity and biological realism. PMID:26834573

  19. Password-only authenticated three-party key exchange with provable security in the standard model.

    PubMed

    Nam, Junghyun; Choo, Kim-Kwang Raymond; Kim, Junghwan; Kang, Hyun-Kyu; Kim, Jinsoo; Paik, Juryon; Won, Dongho

    2014-01-01

    Protocols for password-only authenticated key exchange (PAKE) in the three-party setting allow two clients registered with the same authentication server to derive a common secret key from their individual password shared with the server. Existing three-party PAKE protocols were proven secure under the assumption of the existence of random oracles or in a model that does not consider insider attacks. Therefore, these protocols may turn out to be insecure when the random oracle is instantiated with a particular hash function or an insider attack is mounted against the partner client. The contribution of this paper is to present the first three-party PAKE protocol whose security is proven without any idealized assumptions in a model that captures insider attacks. The proof model we use is a variant of the indistinguishability-based model of Bellare, Pointcheval, and Rogaway (2000), which is one of the most widely accepted models for security analysis of password-based key exchange protocols. We demonstrated that our protocol achieves not only the typical indistinguishability-based security of session keys but also the password security against undetectable online dictionary attacks.

  20. Foundation Heat Exchanger Final Report: Demonstration, Measured Performance, and Validated Model and Design Tool

    SciTech Connect

    Hughes, Patrick; Im, Piljae

    2012-01-01

    ) has been coined to refer exclusively to ground heat exchangers installed in the overcut around the basement walls. The primary technical challenge undertaken by this project was the development and validation of energy performance models and design tools for FHX. In terms of performance modeling and design, ground heat exchangers in other construction excavations (e.g., utility trenches) are no different from conventional HGHX, and models and design tools for HGHX already exist. This project successfully developed and validated energy performance models and design tools so that FHX or hybrid FHX/HGHX systems can be engineered with confidence, enabling this technology to be applied in residential and light commercial buildings. The validated energy performance model also addresses and solves another problem, the longstanding inadequacy in the way ground-building thermal interaction is represented in building energy models, whether or not there is a ground heat exchanger nearby. Two side-by-side, three-level, unoccupied research houses with walkout basements, identical 3,700 ft{sup 2} floor plans, and hybrid FHX/HGHX systems were constructed to provide validation data sets for the energy performance model and design tool. The envelopes of both houses are very energy efficient and airtight, and the HERS ratings of the homes are 44 and 45 respectively. Both houses are mechanically ventilated with energy recovery ventilators, with space conditioning provided by water-to-air heat pumps with 2 ton nominal capacities. Separate water-to-water heat pumps with 1.5 ton nominal capacities were used for water heating. In these unoccupied research houses, human impact on energy use (hot water draw, etc.) is simulated to match the national average. At House 1 the hybrid FHX/HGHX system was installed in 300 linear feet of excavation, and 60% of that was construction excavation (needed to construct the home). At House 2 the hybrid FHX/HGHX system was installed in 360 feet of excavation

  1. Foundation Heat Exchanger Final Report: Demonstration, Measured Performance, and Validated Model and Design Tool

    SciTech Connect

    Hughes, Patrick; Im, Piljae

    2012-04-01

    ) has been coined to refer exclusively to ground heat exchangers installed in the overcut around the basement walls. The primary technical challenge undertaken by this project was the development and validation of energy performance models and design tools for FHX. In terms of performance modeling and design, ground heat exchangers in other construction excavations (e.g., utility trenches) are no different from conventional HGHX, and models and design tools for HGHX already exist. This project successfully developed and validated energy performance models and design tools so that FHX or hybrid FHX/HGHX systems can be engineered with confidence, enabling this technology to be applied in residential and light commercial buildings. The validated energy performance model also addresses and solves another problem, the longstanding inadequacy in the way ground-building thermal interaction is represented in building energy models, whether or not there is a ground heat exchanger nearby. Two side-by-side, three-level, unoccupied research houses with walkout basements, identical 3,700 ft{sup 2} floor plans, and hybrid FHX/HGHX systems were constructed to provide validation data sets for the energy performance model and design tool. The envelopes of both houses are very energy efficient and airtight, and the HERS ratings of the homes are 44 and 45 respectively. Both houses are mechanically ventilated with energy recovery ventilators, with space conditioning provided by water-to-air heat pumps with 2 ton nominal capacities. Separate water-to-water heat pumps with 1.5 ton nominal capacities were used for water heating. In these unoccupied research houses, human impact on energy use (hot water draw, etc.) is simulated to match the national average. At House 1 the hybrid FHX/HGHX system was installed in 300 linear feet of excavation, and 60% of that was construction excavation (needed to construct the home). At House 2 the hybrid FHX/HGHX system was installed in 360 feet of excavation

  2. Hydrological processes involved in groundwater-surface water exchange at a lowland river: measurements and modelling

    NASA Astrophysics Data System (ADS)

    Nuetzmann, G.; Lewandowski, J.

    2009-04-01

    Water exchange processes in the floodplain of a lowland groundwater-surface water system are studied on the basis of a study site near Freienbrink, NE Germany. The surface water boundaries of this site are formed by an oxbow and the current bed of the river Spree, section Müggelspree. Surface and ground water levels and water temperatures were collected in 12 piezometers and 2 recording stage gauges of a 300 m long transect throughout a one-year-period. Due to water level fluctuations alternation of infiltration and exfiltration occurred. However, most of the time groundwater flux is directed into the river Spree and, river water infiltration events into the aquifer are usually short and of minor importance. Due to clogging of the oxbow bed with a mud layer of different thickness the hydraulic contact between the oxbow and the adjacent aquifer is heterogeneously distributed and partially marginal. These features are modelled quantitatively using MODFLOW and MT3DMS in order to simulate ground water flow and heat transport. Two different model approaches are developed: with the help of a 3D model the whole test site was simulated describing the main vertical and lateral flow components; with a 2D vertical model along transect the exchange processes close to the surface water bodies are studied in more detail in order to quantify the leakage parameters of both river sections. With the results the following questions will be answered: (1) How fast does the exchange between the surface water and the aquifer occur? (2) Can the hydraulic processes (in- and exfiltration) between both river sections and the aquifer be identified and quantified? (3) What are the driving forces for groundwater dynamics in the floodplain - groundwater recharge, regional groundwater flow, or water level fluctuations of the river sections?

  3. A parameter model of gas exchange for the seasonal sea ice zone

    NASA Astrophysics Data System (ADS)

    Loose, B.; McGillis, W. R.; Perovich, D.; Zappa, C. J.; Schlosser, P.

    2013-07-01

    Carbon budgets for the polar oceans require better constraint on air-sea gas exchange in the sea ice zone (SIZ). Here, we utilize recent advances in the theory of turbulence, mixing and air-sea flux in the ice-ocean boundary layer (IOBL) to formulate a simple model for gas exchange when the surface ocean is partially covered by sea ice. The gas transfer velocity (k) is related to shear-driven and convection-driven turbulence in the aqueous mass boundary layer, and to the mean-squared wave slope at the air-sea interface. We use the model to estimate k along the drift track of Ice-Tethered Profilers (ITPs) in the Arctic. Individual estimates of daily-averaged k from ITP drifts ranged between 1.1 and 22 m d-1, and the fraction of open water (f) ranged from 0 to 0.83. Converted to area-weighted effective transfer velocities (keff), the minimum value of keff was 10-5 m d-1 near f = 0 with values exceeding keff = 5 m d-1 at f = 0.4. The largest values of k occurred during the periods when ice cover around the ITP was changing rapidly; either in advance or retreat. The model indicates that effects from shear and convection in the sea ice zone contribute an additional 40% to the magnitude of keff, beyond what would be predicted from an estimate of keff based solely upon a windspeed parameterization. Although the ultimate scaling relationship for gas exchange in the sea ice zone will require validation in laboratory and field studies, the basic parameter model described here demonstrates that it is feasible to formulate estimates of k based upon properties of the IOBL using data sources that presently exist.

  4. A parameter model of gas exchange for the seasonal sea ice zone

    NASA Astrophysics Data System (ADS)

    Loose, B.; McGillis, W. R.; Perovich, D.; Zappa, C. J.; Schlosser, P.

    2014-01-01

    Carbon budgets for the polar oceans require better constraint on air-sea gas exchange in the sea ice zone (SIZ). Here, we utilize advances in the theory of turbulence, mixing and air-sea flux in the ice-ocean boundary layer (IOBL) to formulate a simple model for gas exchange when the surface ocean is partially covered by sea ice. The gas transfer velocity (k) is related to shear-driven and convection-driven turbulence in the aqueous mass boundary layer, and to the mean-squared wave slope at the air-sea interface. We use the model to estimate k along the drift track of ice-tethered profilers (ITPs) in the Arctic. Individual estimates of daily-averaged k from ITP drifts ranged between 1.1 and 22 m d-1, and the fraction of open water (f) ranged from 0 to 0.83. Converted to area-weighted effective transfer velocities (keff), the minimum value of keff was 10-55 m d-1 near f = 0 with values exceeding keff = 5 m d-1 at f = 0.4. The model indicates that effects from shear and convection in the sea ice zone contribute an additional 40% to the magnitude of keff, beyond what would be predicted from an estimate of keff based solely upon a wind speed parameterization. Although the ultimate scaling relationship for gas exchange in the sea ice zone will require validation in laboratory and field studies, the basic parameter model described here demonstrates that it is feasible to formulate estimates of k based upon properties of the IOBL using data sources that presently exist.

  5. Modeling of dual gradient elution in ion exchange and mixed-mode chromatography.

    PubMed

    Lee, Yi Feng; Schmidt, Michael; Graalfs, Heiner; Hafner, Mathias; Frech, Christian

    2015-10-23

    Protein retention using dual gradient elution in ion exchange- and mixed-mode chromatography can be modeled using the combination of a modified Yamamoto's LGE model and a conversion term to correlate the elution salt concentration and pH at any given gradient slope. Incorporation of the pH dependence of the binding charges into the model also provides some insights on the dual effects of salt and pH in protein-ligand interaction. The fitted thermodynamic parameters (ΔGP(0)/RT, ΔGS(0)/RT, number of charged amino acids involved in binding) of the dual gradient elution data using lysozyme and mAbs on SP Sepharose(®) FF, Eshmuno(®) HCX, and Capto(®) MMC ImpRes were consistent to the results of mono gradient data. This gives rise to an approach to perform thermodynamic modeling of protein retention in ion exchange- and mixed-mode chromatography by combining both salt and pH gradient into a single run of dual gradient elution which will increase time and cost efficiency. The dual gradients used in this study encompassed a wide range of pH (4-8) and NaCl concentrations (0-1M). Curve fits showed that ΔGP(0)/RT is protein type and ligand dependent. ΔGS(0)/RT is strongly dependent on the stationary phase but not the protein. For mAb04 on mixed-mode resin Capto(®) MMC, ΔGS(0)/RT is 5-6 times higher than the result reported for the same protein on cation exchanger Fractogel(®) EMD SO3(-) (S).

  6. Assessment of Model Estimates of Land-Atmosphere CO2 Exchange Across Northern Eurasia

    NASA Astrophysics Data System (ADS)

    Rawlins, M. A.; McGuire, A. D.; Kimball, J. S.; Dass, P.

    2014-12-01

    A warming climate is altering land-atmosphere exchanges of carbon, with a potential for increased vegetation productivity and mobilization of soil carbon stores. Here we investigate land-atmosphere carbon dioxide (CO2) dynamics through analysis of net ecosystem productivity (NEP) and the component fluxes of gross primary productivity (GPP) and ecosystem respiration (ER) and soil carbon residence time as simulated by a set of process models over a region spanning the drainage basin of northern Eurasia. The retrospective simulations were conducted over the period 1960-2009 at 0.5 degree resolution. Performance benchmarks are made through comparisons of model estimates and CO2 fluxes derived from tower eddy covariance measurements and satellite data driven GPP estimates. The site comparisons show the timing of peak summer productivity to be well simulated. Modest overestimates in model GPP and ER are also found, which are relatively higher for two boreal forest validation sites. Averaged across the models, NEP increases by 135% of the mean (10% to 400% among the models) from the first to last ten years of record (1960-1969 vs 2000-2009), with a weakening terrestrial carbon sink indicated over recent decades. Vegetation net primary productivity (NPP) increased by 8 to 30%, contributing to soil carbon storage gains, while model mean residence time for soil organic carbon decreased by -10% (-5% to -16% among the models) due to enhanced litter decomposition and heterotrophic respiration (Rh) losses offsetting soil carbon inputs. Our analysis points to improvements in model elements controlling vegetation productivity and soil respiration as being most beneficial for reducing uncertainty in land-atmosphere CO2 exchange. These advances require collection of new field data in key areas and the incorporation of spatial information on vegetation characteristics into models.

  7. A Quantitative Model for the Exchange Current of Porous Molybdenum Electrodes on Sodium Beta-Alumina in Sodium Vapor

    NASA Technical Reports Server (NTRS)

    Williams, R. M.; Ryan, M. A.; LeDuc, H.; Cortez, R. H.; Saipetch, C.; Shields, V.; Manatt, K.; Homer, M. L.

    1998-01-01

    This paper presents a model of the exchange current developed for porous molybdenum electrodes on sodium beta-alumina ceramics in low pressure sodium vapor, but which has general applicability to gas/porous metal electrodes on solid electrolytes.

  8. Numerical modeling of a 2K J-T heat exchanger used in Fermilab Vertical Test Stand VTS-1

    SciTech Connect

    Gupta, Prabhat Kumar; Rabehl, Roger

    2014-07-01

    Fermilab Vertical Test Stand-1 (VTS-1) is in operation since 2007 for testing the superconducting RF cavities at 2 K. This test stand has single layer coiled finned tubes heat exchanger before J-T valve. A finite difference based thermal model has been developed in Engineering Equation Solver (EES) to study its thermal performance during filling and refilling to maintain the constant liquid level of test stand. The model is also useful to predict its performance under other various operating conditions and will be useful to design the similar kind of heat exchanger for future needs. Present paper discusses the different operational modes of this heat exchanger and its thermal characteristics under these operational modes. Results of this model have also been compared with the experimental data gathered from the VTS-1 heat exchanger and they are in good agreement with the present model.

  9. A Model for Dynamic Simulation and Analysis of Tether Momentum Exchange

    NASA Technical Reports Server (NTRS)

    Canfield, Stephen; Johnson, David; Sorensen, Kirk; Welzyn, Ken; Rodgers, Stephen L. (Technical Monitor)

    2002-01-01

    Momentum-exchange/electrodynamic reboost (MXER) tether systems may enable high-energy missions to the Moon, Mars, and beyond by serving as an 'upper stage in space'. Existing rockets that use an MXER tether station could double their capability to launch communications satellites and help improve US competitiveness. A MXER tether station would boost spacecraft from low Earth orbit to a high-energy orbit quickly, like a high-thrust rocket. Then, using the same principles that make an electric motor work, it would slowly rebuild its orbital momentum by pushing against the Earth's magnetic field-without using any propellant. One of the significant challenges in developing a momentum-exchange/electrodynamic reboost tether systems is in the analysis and design of the capture mechanism and its effects on the overall dynamics of the system. This paper will present a model for a momentum-exchange tether system that can simulate and evaluate the performance and requirements of such a system.

  10. Modeling the Hydrogen-Proton Charge-Exchange Process in Global Heliospheric Simulations

    NASA Astrophysics Data System (ADS)

    DeStefano, A.; Heerikhuisen, J.

    2015-12-01

    The environment surrounding our Solar System has a vast and dynamic structure. As the Sun rounds the Milky Way galaxy, interstellar dust and gas interact with the Sun's outflow of solar wind. A bubble of hot plasma forms around the Sun due to this interaction, called the heliosphere. In order to understand the structure of the heliosphere, observations and simulations must work in tandem. Within the past decade or so, 3D models of the heliosphere have been developed exhibiting non- symmmetric as well as predicting structures such as the hydrogen wall and the IBEX ribbon. In this poster we explore new ways to compute charge-exchange source terms. The charge-exchange process is the coupling mechanism between the MHD and kinetic theories. The understanding of this process is crucial in order to make valuable predictions. Energy dependant cross section terms will aid in settling non-linear affects coupling the intestellar and solar particles. Through these new ways of computing source terms, resolving fine structures in the plasma in the heliopause may be possible. In addition, other non-trivial situations, such as charge-exchange mediated shocks, may be addressed.

  11. Sensitivity analysis of a model of CO2 exchange in tundra ecosystems by the adjoint method

    SciTech Connect

    Waelbroek, C.; Louis, J.F. |

    1995-02-01

    A model of net primary production (NPP), decomposition, and nitrogen cycling in tundra ecosystems has been developed. The adjoint technique is used to study the sensitivity of the computed annual net CO2 flux to perturbation in initial conditions, climatic inputs, and model`s main parameters describing current seasonal CO2 exchange in wet sedge tundra at Barrow, Alaska. The results show that net CO2 flux is most sensitive to parameters characterizing litter chemical composition and more sensitive to decomposition parameters than to NPP parameters. This underlines the fact that in nutrient-limited ecosystems, decomposition drives net CO2 exchange by controlling mineralization of main nutrients. The results also indicate that the short-term (1 year) response of wet sedge tundra to CO2-induced warming is a significant increase in CO2 emission, creating a positive feedback to atmosphreic CO2 accumulation. However, a cloudiness increase during the same year can severely alter this response and lead to either a slight decrease or a strong increase in emitted CO2, depending on its exact timing. These results demonstrate that the adjoint method is well suited to study systems encountering regime changes, as a single run of the adjoint model provides sensitivities of the net CO2 flux to perturbations in all parameters and variables at any time of the year. Moreover, it is shown that large errors due to the presence of thresholds can be avoided by first delimiting the range of applicability of the adjoint results.

  12. Modeling cesium ion exchange on fixed-bed columns of crystalline silicotitanate granules

    SciTech Connect

    Latheef, I.M.; Huckman, M.E.; Anthony, R.G.

    2000-05-01

    A mathematical model is presented to simulate Cs exchange in fixed-bed columns of a novel crystalline silicotitanate (CST) material, UOP IONSIV IE-911. A local equilibrium is assumed between the macropores and the solid crystals for the particle material balance. Axial dispersed flow and film mass-transfer resistance are incorporated into the column model. Cs equilibrium isotherms and diffusion coefficients were measured experimentally, and dispersion and film mass-transfer coefficients were estimated from correlations. Cs exchange column experiments were conducted in 5--5.7 M Na solutions and simulated using the proposed model. Best-fit diffusion coefficients from column simulations were compared with previously reported batch values of Gu et al. and Huckman. Cs diffusion coefficients for the column were between 2.5 and 5.0 x 10{sup {minus}11} m{sup 2}/s for 5--5.7 M Na solutions. The effect of the isotherm shape on the Cs diffusion coefficient was investigated. The proposed model provides good fits to experimental data and may be utilized in designing commercial-scale units.

  13. OpenSim: a musculoskeletal modeling and simulation framework for in silico investigations and exchange

    PubMed Central

    Seth, Ajay; Sherman, Michael; Reinbolt, Jeffrey A.; Delp, Scott L.

    2015-01-01

    Movement science is driven by observation, but observation alone cannot elucidate principles of human and animal movement. Biomechanical modeling and computer simulation complement observations and inform experimental design. Biological models are complex and specialized software is required for building, validating, and studying them. Furthermore, common access is needed so that investigators can contribute models to a broader community and leverage past work. We are developing OpenSim, a freely available musculoskeletal modeling and simulation application and libraries specialized for these purposes, by providing: musculoskeletal modeling elements, such as biomechanical joints, muscle actuators, ligament forces, compliant contact, and controllers; and tools for fitting generic models to subject-specific data, performing inverse kinematics and forward dynamic simulations. OpenSim performs an array of physics-based analyses to delve into the behavior of musculoskeletal models by employing Simbody, an efficient and accurate multibody system dynamics code. Models are publicly available and are often reused for multiple investigations because they provide a rich set of behaviors that enables different lines of inquiry. This report will discuss one model developed to study walking and applied to gain deeper insights into muscle function in pathological gait and during running. We then illustrate how simulations can test fundamental hypotheses and focus the aims of in vivo experiments, with a postural stability platform and human model that provide a research environment for performing human posture experiments in silico. We encourage wide adoption of OpenSim for community exchange of biomechanical models and methods and welcome new contributors. PMID:25893160

  14. Modelling short-term variability in carbon and water exchange in a temperate Scots pine forest

    NASA Astrophysics Data System (ADS)

    Vermeulen, M. H.; Kruijt, B. J.; Hickler, T.; Kabat, P.

    2015-02-01

    Vegetation - atmosphere carbon and water exchange at one particular site can strongly vary from year to year, and understanding this interannual variability in carbon and water exchange (IAVcw) is a critical factor in projecting future ecosystem changes. However, the mechanisms driving this IAVcw are not well understood. We used data on carbon and water fluxes from a multi-year Eddy Covariance study (1997-2009) in a Dutch Scots pine forest and forced a process-based ecosystem model (LPJ-GUESS) with local data to, firstly, test whether the model can explain IAVcw and seasonal carbon and water exchange from direct environmental factors only. Initial model runs showed low correlations with estimated annual gross primary productivity (GPP) and annual actual evapotranspiration (AET), while monthly and daily fluxes showed high correlations. The model underestimated GPP and AET during winter and drought events. Secondly, we adapted the temperature inhibition function of photosynthesis to account for the observation that at this particular site, trees continue to assimilate at very low atmospheric temperatures (up to daily averages of -10 °C), resulting in a net carbon sink in winter. While we were able to improve daily and monthly simulations during winter by lowering the modelled minimum temperature threshold for photosynthesis, this did not increase explained IAVcw at the site. Thirdly, we implemented three alternative hypotheses concerning water uptake by plants in order to test which one best corresponds with the data. In particular, we analyse the effects during the 2003 heatwave. These simulations revealed a strong sensitivity of the modelled fluxes during dry and warm conditions, but no single formulation was consistently superior in reproducing the data for all time scales and the overall model-data match for IAVcw could not be improved. Most probably access to deep soil water leads to higher AET and GPP simulated during the heat wave of 2003. We conclude that

  15. Modelling short-term variability in carbon and water exchange in a temperate Scots pine forest

    NASA Astrophysics Data System (ADS)

    Vermeulen, M. H.; Kruijt, B. J.; Hickler, T.; Kabat, P.

    2015-07-01

    The vegetation-atmosphere carbon and water exchange at one particular site can strongly vary from year to year, and understanding this interannual variability in carbon and water exchange (IAVcw) is a critical factor in projecting future ecosystem changes. However, the mechanisms driving this IAVcw are not well understood. We used data on carbon and water fluxes from a multi-year eddy covariance study (1997-2009) in a Dutch Scots pine forest and forced a process-based ecosystem model (Lund-Potsdam-Jena General Ecosystem Simulator; LPJ-GUESS) with local data to, firstly, test whether the model can explain IAVcw and seasonal carbon and water exchange from direct environmental factors only. Initial model runs showed low correlations with estimated annual gross primary productivity (GPP) and annual actual evapotranspiration (AET), while monthly and daily fluxes showed high correlations. The model underestimated GPP and AET during winter and drought events. Secondly, we adapted the temperature inhibition function of photosynthesis to account for the observation that at this particular site, trees continue to assimilate at very low atmospheric temperatures (up to daily averages of -10 °C), resulting in a net carbon sink in winter. While we were able to improve daily and monthly simulations during winter by lowering the modelled minimum temperature threshold for photosynthesis, this did not increase explained IAVcw at the site. Thirdly, we implemented three alternative hypotheses concerning water uptake by plants in order to test which one best corresponds with the data. In particular, we analyse the effects during the 2003 heatwave. These simulations revealed a strong sensitivity of the modelled fluxes during dry and warm conditions, but no single formulation was consistently superior in reproducing the data for all timescales and the overall model-data match for IAVcw could not be improved. Most probably access to deep soil water leads to higher AET and GPP simulated

  16. Numerical modelling of soil/atmosphere exchange of POPs with MIN3P

    NASA Astrophysics Data System (ADS)

    Bao, Zhongwen; Beckingham, Barbara; Maier, Uli; Haberer, Christina; Grathwohl, Peter

    2014-05-01

    Soil/atmosphere exchange processes are of vital role not only for the cycling of water and the transport of nutrients and oxygen, but also for the long-term fate of many persistent organic pollutants (POPs). This study focuses on modelling the vapor phase exchange of a representative POP, i.e. phenanthrene, across the soil/atmosphere interface using the numerical code MIN3P, which was extended to include an atmospheric boundary layer. The numerical code was validated with analytical solutions of the advection-dispersion equation and additionally considering pure diffusion with linear sorption in the porous medium. We ran several scenarios to test the relevant processes influencing soil/atmosphere exchange at various time scales, i.e. diffusion/dispersion, advection, sorption, re-volatilization, biodegradation, and temperature changes. The atmospheric boundary layer near the ground surface was assumed to be well mixed, and overall fluxes of phenanthrene were found to be limited within the soil compartment for downward migration from the atmosphere. Sorption to soil organic carbon causes strong retardation of phenanthrene in seepage water, thus affecting re-volatilization and biodegradation. After phenanthrene deposition, sorption limits the spreading in the short term while biodegradation leads to steady-state concentration profiles in the long term (e.g. centuries). Temperature increases, e.g. from nighttime to daytime, lead to a release of sorbed phenanthrene. While the model shows dynamically fluctuating atmospheric concentration gradients for diurnal temperature changes, eddy diffusion is sufficient to mix concentrations in the atmospheric boundary layer for seasonal and longer-term temperature increases. The model can be further used to estimate levels of other POPs in soils with varying physico-chemical properties and under different environmental loadings and climate scenarios to evaluate their long-term fate in soils.

  17. Modelling the water exchanges between an estuary and its underlying aquifer units

    NASA Astrophysics Data System (ADS)

    Baratelli, Fulvia; Flipo, Nicolas; David, Pierre-Yann; Pennequin, Didier; Lemoine, Jean Philippe; Bacq, Nicolas; Dupont, Jean-Paul

    2016-04-01

    This work aims at developing a coupled hydrological surface-subsurface model of estuarine processes. The exchanges between surface water and subsurface water affect the hydro-sedimentary and biogeochemical processes in estuarine environments. The thickness and the hydrodynamic properties of the sediments in an estuary are often characterized by significant spatial variations which influence the exchanges with the subsurface water. A methodology based on the conductance approach is proposed to quantify the water exchanges between an estuary and its underlying aquifer units. An application to the case of the Seine estuary (France) is presented. To this aim, an integrated distributed physically-based hydrological-hydrogeological model (CAWAQS) is used to simulate the surface and groundwater flows in a 9 500 km2 watershed representing the downstream part of the regional Seine River basin (80 000 km2) including its estuary. At the bottom of the estuary, a layer of low-permeability Holocene sediments overlays the aquifer formations (mainly Pleistocene alluvial sediments and Cretaceous chalk). The conductance coefficient is estimated by assuming a vertical flow in series through the low-permeability sediments and the aquifer. Moreover, the low-permeability sediments have been partially dredged to create a navigation channel, were the estuary water is in direct contact with the aquifer. These specificities are taken into account in the model. The water fluxes in the estuary are simulated at a resolution ranging from 100 m to 800 m and daily time step. As a preliminary result, the distribution of the average water fluxes over a 17 year period (1997-2014) has been calculated using an average distribution of water elevation in the estuary. The navigation channel is shown to drain the aquifer system as a consequence of the removal of the low-permeability sediments.

  18. Streambed Hydraulic Conductivity Structures: Enhanced Hyporheic Exchange and Contaminant Removal in Model and Constructed Stream

    NASA Astrophysics Data System (ADS)

    Herzog, S.; Higgins, C. P.; McCray, J. E.

    2014-12-01

    Urban- and agriculturally-impacted streams face widespread water quality challenges from excess nutrients, metals, and pathogens from nonpoint sources, which the hyporheic zone (HZ) can capture and treat. However, flow through the HZ is typically small relative to stream flow and thus water quality contributions from the HZ are practically insignificant. Hyporheic exchange is a prominent topic in stream biogeochemistry, but growing understanding of HZ processes has not been translated into practical applications. In particular, existing HZ restoration structures (i.e. cross-vanes) do not exchange water efficiently nor control the residence time (RT) of downwelling streamwater. Here we present subsurface modifications to streambed hydraulic conductivity (K) to drive efficient hyporheic exchange and control RT, thereby enhancing the effectiveness of the HZ. Coordinated high K (i.e. gravel) and low K (i.e. concrete, clay) modifications are termed Biohydrochemical Enhancement structures for Streamwater Treatment (BEST). BEST can simply use native sediments or may also incorporate reactive geomedia to enhance reactions. The contaminant mitigation potentials of BEST were estimated based on hyporheic flow and RT outputs from MODFLOW and MODPATH models and reported nutrient, metal, and pathogen removal rate constants from literature for specific porous media. Reactions of interest include denitrification and removal of phosphate, metals, and E. coli. Simulations showed that BEST structures in series can substantially improve water quality in small streams along reaches of tens of meters. The model results are compared to observed data in tank and constructed stream experiments. Preliminary results with BEST incorporating woodchip geomedia demonstrate rapid denitrification exceeding model predictions. These experiments should establish BEST as a novel stream restoration structure or Best Management Practice (BMP) option to help practitioners achieve stormwater compliance.

  19. Predicting residential air exchange rates from questionnaires and meteorology: model evaluation in central North Carolina.

    PubMed

    Breen, Michael S; Breen, Miyuki; Williams, Ronald W; Schultz, Bradley D

    2010-12-15

    A critical aspect of air pollution exposure models is the estimation of the air exchange rate (AER) of individual homes, where people spend most of their time. The AER, which is the airflow into and out of a building, is a primary mechanism for entry of outdoor air pollutants and removal of indoor source emissions. The mechanistic Lawrence Berkeley Laboratory (LBL) AER model was linked to a leakage area model to predict AER from questionnaires and meteorology. The LBL model was also extended to include natural ventilation (LBLX). Using literature-reported parameter values, AER predictions from LBL and LBLX models were compared to data from 642 daily AER measurements across 31 detached homes in central North Carolina, with corresponding questionnaires and meteorological observations. Data was collected on seven consecutive days during each of four consecutive seasons. For the individual model-predicted and measured AER, the median absolute difference was 43% (0.17 h(-1)) and 40% (0.17 h(-1)) for the LBL and LBLX models, respectively. Additionally, a literature-reported empirical scale factor (SF) AER model was evaluated, which showed a median absolute difference of 50% (0.25 h(-1)). The capability of the LBL, LBLX, and SF models could help reduce the AER uncertainty in air pollution exposure models used to develop exposure metrics for health studies.

  20. Model-based prediction of monoclonal antibody retention in ion-exchange chromatography.

    PubMed

    Guélat, Bertrand; Delegrange, Lydia; Valax, Pascal; Morbidelli, Massimo

    2013-07-12

    In order to support a model-based process design in ion-exchange chromatography, an adsorption equilibrium model was adapted to predict the protein retention behavior from the amino acid sequence and from structural information on the resin. It is based on the computation of protein-resin interactions with a colloidal model and accounts for the contribution of each ionizable amino acid to the protein charge. As a verification of the protein charge model, the experimental titration curve of a monoclonal antibody was compared to its predicted net charge. Using this protein charge model in the computation of the protein-resin interactions, it is possible to predict the adsorption equilibrium constant (i.e. retention factor or Henry constant) with an explicit pH and salt dependence. The application of the model-based predictions for an in silico screening of the protein retention on various stationary phases or, alternatively, for the comparison of various monoclonal antibodies on a given cation-exchanger was demonstrated. Furthermore, considering the structural differences between charge variants of a monoclonal antibody, it was possible to predict their individual retention times. The selectivity between the side variants and the main isoform of the monoclonal antibody were computed. The comparison with the experimental data showed that the model was reliable with respect to the identification of the operating conditions maximizing the selectivity, i.e. the most promising conditions for a monoclonal antibody variant separation. Such predictions can be useful in reducing the experimental effort to identify the parameter space. PMID:23759301

  1. The cold and atmospheric-pressure air surface barrier discharge plasma for large-area sterilization applications

    SciTech Connect

    Wang Dacheng; Zhao Di; Feng Kecheng; Zhang Xianhui; Liu Dongping; Yang Size

    2011-04-18

    This letter reports a stable air surface barrier discharge device for large-area sterilization applications at room temperature. This design may result in visually uniform plasmas with the electrode area scaled up (or down) to the required size. A comparison for the survival rates of Escherichia coli from air, N{sub 2} and O{sub 2} surface barrier discharge plasmas is presented, and the air surface plasma consisting of strong filamentary discharges can efficiently kill Escherichia coli. Optical emission measurements indicate that reactive species such as O and OH generated in the room temperature air plasmas play a significant role in the sterilization process.

  2. Modeling Ion-Exchange Processing With Spherical Resins For Cesium Removal

    SciTech Connect

    Hang, T.; Nash, C. A.; Aleman, S. E.

    2012-09-19

    The spherical Resorcinol-Formaldehyde and hypothetical spherical SuperLig(r) 644 ion-exchange resins are evaluated for cesium removal from radioactive waste solutions. Modeling results show that spherical SuperLig(r) 644 reduces column cycling by 50% for high-potassium solutions. Spherical Resorcinol Formaldehyde performs equally well for the lowest-potassium wastes. Less cycling reduces nitric acid usage during resin elution and sodium addition during resin regeneration, therefore, significantly decreasing life-cycle operational costs. A model assessment of the mechanism behind ''cesium bleed'' is also conducted. When a resin bed is eluted, a relatively small amount of cesium remains within resin particles. Cesium can bleed into otherwise decontaminated product in the next loading cycle. The bleed mechanism is shown to be fully isotherm-controlled vs. mass transfer controlled. Knowledge of residual post-elution cesium level and resin isotherm can be utilized to predict rate of cesium bleed in a mostly non-loaded column. Overall, this work demonstrates the versatility of the ion-exchange modeling to study the effects of resin characteristics on processing cycles, rates, and cold chemical consumption. This evaluation justifies further development of a spherical form of the SL644 resin.

  3. A comprehensive model of ion diffusion and charge exchange in the cold Io torus

    NASA Technical Reports Server (NTRS)

    Barbosa, D. D.; Moreno, M. A.

    1988-01-01

    A comprehensive analytic model of radial diffusion in the cold Io torus is developed. The model involves a generalized molecular cloud theory of SO2 and its dissociation fragments SO, O2, S, and O, which are formed at a relatively large rate by solar UV photodissociation of SO2. The key component of the new theory is SO, which can react with S(+) through a near-resonant charge exchange process that is exothermic. This provides a mechanism for the rapid depletion of singly ionized sulfur in the cold torus and can account for the large decrease in the total flux tube content inward of Io's orbit. The model is used to demonstrate quantitatively the effects of radial diffusion in a charge exchange environment that acts as a combined source and sink for ions in various charge states. A detailed quantitative explanation for the O(2+) component of the cold torus is given, and insight is derived into the workings of the so-called plasma 'ribbon'.

  4. Sensitivity analysis of a model of CO2 exchange in tundra ecosystems by the adjoint method

    NASA Technical Reports Server (NTRS)

    Waelbroek, C.; Louis, J.-F.

    1995-01-01

    A model of net primary production (NPP), decomposition, and nitrogen cycling in tundra ecosystems has been developed. The adjoint technique is used to study the sensitivity of the computed annual net CO2 flux to perturbation in initial conditions, climatic inputs, and model's main parameters describing current seasonal CO2 exchange in wet sedge tundra at Barrow, Alaska. The results show that net CO2 flux is most sensitive to parameters characterizing litter chemical composition and more sensitive to decomposition parameters than to NPP parameters. This underlines the fact that in nutrient-limited ecosystems, decomposition drives net CO2 exchange by controlling mineralization of main nutrients. The results also indicate that the short-term (1 year) response of wet sedge tundra to CO2-induced warming is a significant increase in CO2 emission, creating a positive feedback to atmosphreic CO2 accumulation. However, a cloudiness increase during the same year can severely alter this response and lead to either a slight decrease or a strong increase in emitted CO2, depending on its exact timing. These results demonstrate that the adjoint method is well suited to study systems encountering regime changes, as a single run of the adjoint model provides sensitivities of the net CO2 flux to perturbations in all parameters and variables at any time of the year. Moreover, it is shown that large errors due to the presence of thresholds can be avoided by first delimiting the range of applicability of the adjoint results.

  5. Coupling groundwater modeling and biological indicators for identifying river/aquifer exchanges.

    PubMed

    Graillot, Didier; Paran, Frédéric; Bornette, Gudrun; Marmonier, Pierre; Piscart, Christophe; Cadilhac, Laurent

    2014-01-01

    Future climate changes and the resulting modifications in anthropogenic activities will alter the interactions between rivers and groundwater. The quantification of these hydraulic interactions is absolutely necessary for achieving sustainable water use and requires accurate analytical methodologies. This report proposes an interdisciplinary approach to the quantitative and qualitative characterization of hydraulic interactions between rivers and shallow aquifers, wherein it outlines the advantages of coupling groundwater modeling with biological markers. As a first step, we built independent diagnostic maps of hydrological exchanges at the sector scale on the basis of hydrogeological modeling and biological indicators. In a second step, these maps were compared to provide a quantitative and qualitative understanding of exchanges between groundwater and surface water. This comparison significantly improved the calibration of groundwater models through a better assessment of boundary zones. Our approach enabled us to identify the conditions under which it could be possible to use biological indicators instead of a large set of piezometric measures. The integration of such combined tools in a future decision support system will assist governmental authorities in proposing appropriate long-term water policies for the preservation of groundwater resources, such as for supplying potable water and/or mitigating pollution risks.

  6. Finite element modeling of borehole heat exchanger systems. Part 1. Fundamentals

    NASA Astrophysics Data System (ADS)

    Diersch, H.-J. G.; Bauer, D.; Heidemann, W.; Rühaak, W.; Schätzl, P.

    2011-08-01

    Single borehole heat exchanger (BHE) and arrays of BHE are modeled by using the finite element method. The first part of the paper derives the fundamental equations for BHE systems and their finite element representations, where the thermal exchange between the borehole components is modeled via thermal transfer relations. For this purpose improved relationships for thermal resistances and capacities of BHE are introduced. Pipe-to-grout thermal transfer possesses multiple grout points for double U-shape and single U-shape BHE to attain a more accurate modeling. The numerical solution of the final 3D problems is performed via a widely non-sequential (essentially non-iterative) coupling strategy for the BHE and porous medium discretization. Four types of vertical BHE are supported: double U-shape (2U) pipe, single U-shape (1U) pipe, coaxial pipe with annular (CXA) and centred (CXC) inlet. Two computational strategies are used: (1) The analytical BHE method based on Eskilson and Claesson's (1988) solution, (2) numerical BHE method based on Al-Khoury et al.'s (2005) solution. The second part of the paper focusses on BHE meshing aspects, the validation of BHE solutions and practical applications for borehole thermal energy store systems.

  7. MODELING CST ION EXCHANGE FOR CESIUM REMOVAL FROM SCIX BATCHES 1 - 4

    SciTech Connect

    Smith, F.

    2011-04-25

    The objective of this work is, through modeling, to predict the performance of Crystalline Silicotitinate (CST) for the removal of cesium from Small Column Ion Exchange (SCIX) Batches 1-4 (as proposed in Revision 16 of the Liquid Waste System Plan). The scope of this task is specified in Technical Task Request (TTR) 'SCIX Feed Modeling', HLE-TTR-2011-003, which specified using the Zheng, Anthony, Miller (ZAM) code to predict CST isotherms for six given SCIX feed compositions and the VErsatile Reaction and SEparation simulator for Liquid Chromatography (VERSE-LC) code to predict ion-exchange column behavior. The six SCIX feed compositions provided in the TTR represent SCIX Batches 1-4 and Batches 1 and 2 without caustic addition. The study also investigated the sensitivity in column performance to: (1) Flow rates of 5, 10, and 20 gpm with 10 gpm as the nominal flow; and (2) Temperatures of 25, 35, and 45 C with 35 C as the nominal temperature. The isotherms and column predictions presented in this report reflect the expected performance of engineered CST IE-911. This form of CST was used in experiments conducted at the Savannah River National Laboratory (SRNL) that formed the basis for estimating model parameters (Hamm et al., 2002). As has been done previously, the engineered resin capacity is estimated to be 68% of the capacity of particulate CST without binder.

  8. Models of Heliospheric solar wind charge exchange X-ray emission

    NASA Astrophysics Data System (ADS)

    Koutroumpa, Dimitra

    2016-04-01

    The first models of the solar wind charge exchange (SWCX) X-ray production in the heliosphere were developed shortly after the discovery of SWCX emission at the end of 1990s. Since then, continuous monitoring of the global solar wind evolution through the solar cycle has allowed better constraints on its interaction with the interstellar neutrals. We have a fairly accurate description of the interstellar neutral density distributions in interplanetary space. However, the solar wind heavy ion fluxes, and especially their short term variability and propagation through interplanetary space, have remained relatively elusive due to the sparseness or lack of in situ data, especially towards high ecliptic latitudes. In this talk, I will present a summary the heliospheric SWCX modeling efforts, and an overview of the global solar cycle variability of heliospheric SWCX emission, while commenting on the difficulties of modeling the real-time variability of the heliospheric X-ray signal.

  9. Modeling foreign exchange market activity around macroeconomic news: Hawkes-process approach

    NASA Astrophysics Data System (ADS)

    Rambaldi, Marcello; Pennesi, Paris; Lillo, Fabrizio

    2015-01-01

    We present a Hawkes-model approach to the foreign exchange market in which the high-frequency price dynamics is affected by a self-exciting mechanism and an exogenous component, generated by the pre-announced arrival of macroeconomic news. By focusing on time windows around the news announcement, we find that the model is able to capture the increase of trading activity after the news, both when the news has a sizable effect on volatility and when this effect is negligible, either because the news in not important or because the announcement is in line with the forecast by analysts. We extend the model by considering noncausal effects, due to the fact that the existence of the news (but not its content) is known by the market before the announcement.

  10. Characterisation of transient storage biogeochemistry through groundwater models: the importance of considering microform hyporheic exchange in models at coarser scales

    NASA Astrophysics Data System (ADS)

    Käser, D.; Binley, A.; Heathwaite, L.

    2010-12-01

    Transient storage of stream water in the sediment, or hyporheic exchange flow (HEF), is a primary control on the ecological structure and functions of the hyporheic zone. Increasingly, river rehabilitation programmes require quantitative methods for evaluating its influence on the lotic system, particularly on its pollutant attenuation capacity. Previous studies have already shown the potential of groundwater numerical models to characterize HEF at the channel-unit or the reach scale, for example to compare different rehabilitation scenarios. Modellers and end-users, however, must consider these results with care. The predominant underlying concept implies that HEF is driven by geomorphological features such as pool-riffle or pool-step sequences, and meanders. Yet any degree of streambed roughness is also likely to induced small scale HEF through current-obstacle interaction. Both scales of exchange potentially play a crucial role in terms of biogeochemical transformations. Simulated conceptualisations show that ignoring current-obstacle interactions in groundwater models can lead to strong underestimations of short residence time flow paths or to a misrepresentation of biogeochemical 'hotspots'. For example, ‘Head to tail’ flow paths through riffles are sometimes thought to explain variations in stream water chemistry; however, because riffles are shallow zones of high stream water velocity, they have a potential for pumping exchange that would typically be characterized by a small depth, short residence times, and large fluxes. Little is known on the relative efficiency of these two scales of HEF systems. A sensitivity analysis shows how the interaction of pumping exchange and HEF caused by channel-unit structures may create various small-scale and complex patterns of downwelling and upwelling areas that may control in return the biogeochemical patchiness in the shallow subsurface. There is still much to learn about the interaction of HEF systems of different

  11. Numerical Modeling of Freezing and Melting Processes around a Borehole Heat Exchanger

    NASA Astrophysics Data System (ADS)

    Shao, Haibing; Zheng, Tianyuan; Nagel, Thomas; Kolditz, Olaf

    2015-04-01

    In ground sourced heat pump (GSHP) systems, heat energy stored in the shallow subsurface is extracted through borehole heat exchangers (BHE) and then utilized for domestic heating. In cold regions, the continuous heat deficit in the vicinity of the BHE can cause freezing of the surrounding soil. Its material properties, such as permeability and heat conductivity, will then significantly change and lead to a series of coupled thermal, hydraulic, and mechanical processes. In particular, the heat exchange performance of the BHE will be altered, and the frozen soil may also induce ground lift or subsidence in the vicinity of the building. As the first step of modelling this coupled system, we followed the approach proposed by Al-Khoury et al (2010) and Diersch et al (2011), where the BHE has been fully integrated into the numerical model in a dual-continuum way. Additionally, we extended the existing heat transport module in the numerical simulator OpenGeoSys to include the freezing and melting processes, whereas the ice volume fraction in the soil is non-linearly dependent on the temperature, and the soil properties were determined based on the degree of freezing/melting. The non-linearity of the coupled model was numerically solved by a Newton scheme. The extended model has been verified by comparing numerical results against analytical solutions and also findings from other numerical codes. Moreover, we proposed and simulated a hypothetical scenario, where ice is gradually forming around a BHE in response to the continuous operation of a heat pump. The model is capable of reproducing the thermodynamic freezing process as well as the heat transport affected by it. Future work will be focused on the integration of deformation processes into the model.

  12. Modelling of transient river - aquifer exchange using pressure head and heat measurements: the hyporheic zone's dimension

    NASA Astrophysics Data System (ADS)

    Nuetzmann, Gunnar; Christian, Levers; Jörg, Lewandowski

    2010-05-01

    Water exchange processes in the floodplain of a lowland groundwater-surface water system are studied on the basis of a study site near Freienbrink, NE Germany. The surface water boundaries of this site are formed by an oxbow and the current bed of the river Spree, section Müggelspree. Surface and ground water levels and water temperatures were collected in 12 piezometers and 2 recording stage gauges of a 300 m long transect throughout a one-year-period. Due to water level fluctuations alternation of infiltration and exfiltration occurred. However, most of the time groundwater flux is directed into the river Spree and, river water infiltration events into the aquifer are usually short and of minor importance. Due to clogging of the oxbow bed with a mud layer of different thickness the hydraulic contact between the oxbow and the adjacent aquifer is heterogeneously distributed and partially marginal. These features are modelled quantitatively using SUTRA in order to simulate coupled ground water flow and heat transport. A two-dimensional vertical modelling approach along the piezometer transect is developed to study exchange processes close to the surface water bodies more in detail in order to quantify the hyporheic fluxes of both river sections and to identify the directions and quantities of mass and heat fluxes. With the results the following questions will be answered: (1) It is possible to identify and to quantify the hydraulic processes (in- and exfiltration) between both river sections and the aquifer? (2) How fast does the exchange between the surface water and the aquifer occur? (3) Is there a hyporheic zone between the river sections and the aquifer, where groundwater and surface water are mixed, and how much water and heat will be transferred through this zones?

  13. Where and why hyporheic exchange is important: Inferences from a parsimonious, physically-based river network model

    NASA Astrophysics Data System (ADS)

    Gomez-Velez, J. D.; Harvey, J. W.

    2014-12-01

    Hyporheic exchange has been hypothesized to have basin-scale consequences; however, predictions throughout river networks are limited by available geomorphic and hydrogeologic data as well as models that can analyze and aggregate hyporheic exchange flows across large spatial scales. We developed a parsimonious but physically-based model of hyporheic flow for application in large river basins: Networks with EXchange and Subsurface Storage (NEXSS). At the core of NEXSS is a characterization of the channel geometry, geomorphic features, and related hydraulic drivers based on scaling equations from the literature and readily accessible information such as river discharge, bankfull width, median grain size, sinuosity, channel slope, and regional groundwater gradients. Multi-scale hyporheic flow is computed based on combining simple but powerful analytical and numerical expressions that have been previously published. We applied NEXSS across a broad range of geomorphic diversity in river reaches and synthetic river networks. NEXSS demonstrates that vertical exchange beneath submerged bedforms dominates hyporheic fluxes and turnover rates along the river corridor. Moreover, the hyporheic zone's potential for biogeochemical transformations is comparable across stream orders, but the abundance of lower-order channels results in a considerably higher cumulative effect for low-order streams. Thus, vertical exchange beneath submerged bedforms has more potential for biogeochemical transformations than lateral exchange beneath banks, although lateral exchange through meanders may be important in large rivers. These results have implications for predicting outcomes of river and basin management practices.

  14. Magnetization dynamics and damping due to electron-phonon scattering in a ferrimagnetic exchange model

    NASA Astrophysics Data System (ADS)

    Baral, Alexander; Vollmar, Svenja; Schneider, Hans Christian

    2014-07-01

    We present a microscopic calculation of magnetization damping for a magnetic "toy model." The magnetic system consists of itinerant carriers coupled antiferromagnetically to a dispersionless band of localized spins, and the magnetization damping is due to coupling of the itinerant carriers to a phonon bath in the presence of spin-orbit coupling. Using a mean-field approximation for the kinetic exchange model and assuming the spin-orbit coupling to be of the Rashba form, we derive Boltzmann scattering integrals for the distributions and spin conherences in the case of an antiferromagnetic exchange splitting, including a careful analysis of the connection between lifetime broadening and the magnetic gap. For incoherent scattering of itinerant carriers with the phonon bath, i.e., the Elliott-Yafet mechanism, we extract dephasing and magnetization times T1 and T2 from initial conditions corresponding to a tilt of the magnetization vector and draw a comparison to phenomenological equations such as the Landau-Lifshitz (LL) or the Gilbert damping. We also analyze magnetization precession and damping for this system including an anisotropy field and find a carrier mediated dephasing of the localized spin via the mean-field coupling.

  15. Modeling the Channel/Floodplain Interface: The Influence of Riparian Vegetation on Mass and Momentum Exchange

    NASA Astrophysics Data System (ADS)

    Stone, M. C.

    2013-12-01

    The objective of this research was to improve understanding of the impacts of riparian vegetation on mass and momentum flux between the main channel and the floodplain. Numerical investigations were carried out on five sites within three rivers in New Mexico, USA. Vegetation characteristics were varied to represent different riparian scenarios ranging from no vegetation to dense understory. The sedimentation and river hydraulics in two dimensions (SRH-2D) model was applied to simulate hydrodynamic conditions. The model was modified to include two algorithms for simulating a dynamic hydraulic roughness in the riparian zone. Thus resistive forces were represented as a function of vegetation characteristics and hydrodynamic condition. The results provide insights into the processes of mass and momentum transfer at the channel/floodplain interface. As expected, an increase in vegetation density produced enhanced momentum exchange. However, a threshold was reached beyond which the momentum exchange peaked and then dropped. This threshold was the results of low floodplain velocities producing very little resistive force due to low drag. Future work will focus on unsteady investigations and laboratory and field verification studies.

  16. Adsorption of iodine on hydrogen-reduced silver-exchanged mordenite: Experiments and modeling

    DOE PAGES

    Nan, Yue; Tavlarides, Lawrence L.; DePaoli, David W.

    2016-08-03

    The adsorption process of iodine, a major volatile radionuclide in the off-gas streams of spent nuclear fuel reprocessing, on hydrogen-reduced silver-exchanged mordenite (Ag0Z) was studied at the micro-scale. The gas-solid mass transfer and reaction involved in the adsorption process were investigated and evaluated with appropriate models. Optimal conditions for reducing the silver-exchanged mordenite (AgZ) in a hydrogen stream were determined. Kinetic and equilibrium data of iodine adsorption on Ag0Z were obtained by performing single-layer adsorption experiments with experimental systems of high precision at 373–473 K over various iodine concentrations. Results indicate approximately 91% to 97% of the iodine adsorption wasmore » through the silver-iodine reaction. The effect of temperature on the iodine loading capacity of Ag0Z was discussed. In conclusion, the Shrinking Core model describes the data well, and the primary rate controlling mechanisms were macro-pore diffusion and silver-iodine reaction. © 2016 American Institute of Chemical Engineers AIChE J, 2016« less

  17. ION EXCHANGE MODELING FOR REMOVAL OF CESIUM FROM HANFORD WASTE USING SUPERLIG 644 RESIN

    SciTech Connect

    Hamm, L

    2004-05-01

    The expected performance of a proposed ion exchange column using SuperLig{reg_sign} 644 resin for the removal of cesium from Hanford high level radioactive alkaline waste is discussed. This report represents a final report on the ability and knowledge with regard to modeling the Cesium-SuperLig{reg_sign} 644 resin ion exchange system. Only the loading phase of the cycle process is addressed within this report. Pertinent bench-scale column tests and batch equilibrium experiments are addressed. The methodology employed and sensitivity analyses are also included (i.e., existing methodology employed is referenced to prior developmental efforts while updated methodology is discussed). Pilot-scale testing is not assessed since no pilot-scale testing was available at the time of this report. Column performance predictions are made considering three selected feed compositions under nominal operating conditions. The sensitivity analyses provided help to identify key parameters that aid in resin procurement acceptance criteria. The methodology and application presented within this report reflect the expected behavior of SuperLig{reg_sign} 644 resin manufactured at the production-scale (i.e, 250 gallon batch size level). The primary objective of this work was, through modeling and verification based on experimental assessments, to predict the cesium removal performance of SuperLig{reg_sign} 644 resin for application in the RPP pretreatment facility.

  18. Ion Exchange Modeling Of Cesium Removal From Hanford Waste Using Spherical Resorcinol-Formaldehyde Resin

    SciTech Connect

    Aleman, S.; Hamm, L.; Smith, F.

    2007-06-27

    This report discusses the expected performance of spherical Resorcinol-Formaldehyde (RF) ion exchange resin for the removal of cesium from alkaline Hanford radioactive waste. Predictions of full scale column performance in a carousel mode are made for the Hot Commissioning, Envelope B, and Subsequent Operations waste compositions under nominal operating conditions and for perturbations from the nominal. Only the loading phase of the process cycle is addressed in this report. Pertinent bench-scale column tests, kinetic experiments, and batch equilibrium experiments are used to estimate model parameters and to benchmark the ion-exchange model. The methodology and application presented in this report reflect the expected behavior of spherical RF resin manufactured at the intermediate-scale (i.e., approximately 100 gallon batch size; batch 5E-370/641). It is generally believed that scale-up to production-scale in resin manufacturing will result in similarly behaving resin batches whose chemical selectivity is unaffected while total capacity per gram of resin may vary some. As such, the full-scale facility predictions provided within this report should provide reasonable estimates of production-scale column performance.

  19. A model of the CO2 exchanges between biosphere and atmosphere in the tundra

    NASA Technical Reports Server (NTRS)

    Labgaa, Rachid R.; Gautier, Catherine

    1992-01-01

    A physical model of the soil thermal regime in a permafrost terrain has been developed and validated with soil temperature measurements at Barrow, Alaska. The model calculates daily soil temperatures as a function of depth and average moisture contents of the organic and mineral layers using a set of five climatic variables, i.e., air temperature, precipitation, cloudiness, wind speed, and relative humidity. The model is not only designed to study the impact of climate change on the soil temperature and moisture regime, but also to provide the input to a decomposition and net primary production model. In this context, it is well known that CO2 exchanges between the terrestrial biosphere and the atmosphere are driven by soil temperature through decomposition of soil organic matter and root respiration. However, in tundra ecosystems, net CO2 exchange is extremely sensitive to soil moisture content; therefore it is necessary to predict variations in soil moisture in order to assess the impact of climate change on carbon fluxes. To this end, the present model includes the representation of the soil moisture response to changes in climatic conditions. The results presented in the foregoing demonstrate that large errors in soil temperature and permafrost depth estimates arise from neglecting the dependence of the soil thermal regime on soil moisture contents. Permafrost terrain is an example of a situation where soil moisture and temperature are particularly interrelated: drainage conditions improve when the depth of the permafrost increases; a decrease in soil moisture content leads to a decrease in the latent heat required for the phase transition so that the heat penetrates faster and deeper, and the maximum depth of thaw increases; and as excepted, soil thermal coefficients increase with moisture.

  20. THREE-DIMENSIONAL THERMAL MODELING ANALYSIS OF CST MEDIA FOR THE SMALL ION EXCHANGE PROJECT

    SciTech Connect

    Lee, S.; King, W.

    2011-09-12

    The Small Column Ion Exchange (SCIX) project is designed to accelerate closure of High Level Waste (HLW) tanks at the Savannah River Site (SRS). The SRS tanks store HLW in three forms: sludge, saltcake, and supernate. An in-tank ion exchange process is being designed to treat supernate and dissolved saltcake waste. Through this process, radioactive cesium from the salt solution is adsorbed into Crystalline Silicotitanate (CST) ion exchange media packed within a flow-through column. A packed column loaded with radioactive cesium generates significant heat from radiolytic decay. The waste supernate solution within the ion exchange bed will boil around 120 C. Solution superheating above the boiling point within the column could lead to violent hazardous energy releases. System heating from loaded CST is also of concern in other process modules, such as the waste tank. Due to tank structural integrity concerns, the wall temperature limit for the SRS waste tanks is 100 C. The transfer of cesium-loaded CST to the tank could result in localized hot spots on the tank floor and walls which may exceed this limit. As a result, thermal modeling calculations have been conducted to predict the maximum temperatures achievable both in the column and in the waste tank. As specified in the associated Technical Task Plan, one objective of the present work was to compute temperature distributions within the ion exchange column module under accident scenarios including loss of salt solution flow through the bed and loss of coolant system flow. The column modeling domain and the scope of the calculations in this case were broadened relative to previous two-dimensional calculations to include vertical temperature distributions within the packed bed of ion exchange media as well as the upper column plenum region containing only fluid. The baseline design conditions and in-column modeling domain for the ion-exchange column module are shown in Figure 1. These evaluations assumed the maximum

  1. Ground-state properties of linear-exchange quantum spin models

    NASA Astrophysics Data System (ADS)

    Danu, Bimla; Kumar, Brijesh; Pai, Ramesh V.

    2012-10-01

    We study a class of one-dimensional antiferromagnetic quantum spin-1/2 models using DMRG. The exchange interaction in these models decreases linearly with the separation between the spins, Jij = R - |i - j| for |i - j| < R, where R is a positive integer ⩾2. For |i - j| ⩾ R, the interaction is zero. It is known that all the odd-R models have the same exact dimer ground state as the Majumdar-Ghosh (MG) model. In fact, R = 3 is the MG model. However, for an even R, the exact ground state is not known in general, except for R = 2 (the integrable nearest-neighbor Heisenberg chain) and the asymptotic limit of R in which the MG dimer state emerges as the exact ground state. Therefore, we numerically study the ground-state properties of the finite even-R ≠ 2 models, particularly for R = 4, 6 and 8. We find that, unlike R = 2, the higher even-R models are spin-gapped, and exhibit robust dimer order of the MG type in the ground state. The spin-spin correlations decay rapidly to zero, albeit showing weak periodic revivals.

  2. Simulated Transport of Three Cations Through Porous Media: Effect of Different Approaches to Modeling Cation Exchange Reactions

    NASA Astrophysics Data System (ADS)

    Grant, S. A.; Mansell, R. S.; Bloom, S. A.; Rhue, R. D.

    1995-01-01

    Batch cation exchange and column experiments were conducted to evaluate selectivity coefficients which have been suggested for describing cation exchange reactions in solute transport models. Vanselow selectivity coefficients were calculated for cation exchange equilibria with a cation resin and for equilibria reported in the literature with a Yolo loam soil. Experimental column data were compared with data from simulations generated by a numerical solute transport model to evaluate Vanselow, Gaines-Thomas, and statistical thermodynamic selectivity coefficients. With the cation resin, the statistical thermodynamic selectivity coefficient gave the most reliable estimate of column effluent cation concentrations. In a column packed with the Yolo loam soil, the Vanselow selectivity coefficient gave the most accurate prediction of column response. Use of variable (as opposed to fixed) Vanselow selectivity coefficients gave more accurate predictions of column experiments. The use of ternary cation exchange data did not improve predictions of column response.

  3. A review on the performance and modelling of proton exchange membrane fuel cells

    NASA Astrophysics Data System (ADS)

    Boucetta, A.; Ghodbane, H.; Ayad, M. Y.; Bahri, M.

    2016-07-01

    Proton Exchange Membrane Fuel Cells (PEMFC), are energy efficient and environmentally friendly alternative to conventional energy conversion for various applications in stationary power plants, portable power device and transportation. PEM fuel cells provide low operating temperature and high-energy efficiency with near zero emission. A PEM fuel cell is a multiple distinct parts device and a series of mass, energy, transport through gas channels, electric current transport through membrane electrode assembly and electrochemical reactions at the triple-phase boundaries. These processes play a decisive role in determining the performance of the Fuel cell, so that studies on the phenomena of gas flows and the performance modelling are made deeply. This paper gives a comprehensive overview of the state of the art on the Study of the phenomena of gas flow and performance modelling of PEMFC.

  4. Irreversible transitions in the exchange-striction model of spin-glass state

    NASA Astrophysics Data System (ADS)

    Valkov, V. I.; Golovchan, A. V.

    2014-08-01

    Based on the assumption of a negative volume dependence of random exchange integrals, it is possible to switch to a compressible Sherrington-Kirkpatrick spin-glass model. Within the proposed model, temperature-pressure phase diagrams were calculated and pressure- and magnetic-field-induced first-order phase transitions from the initial paramagnetic and spin-glass states to the ferromagnetic state were predicted. It was shown that the application of pressure in the spin-glass state not only increases and shifts magnetic susceptibility, but also reduces the critical magnetic fields of irreversible induced phase transitions from the spin-glass to the ferromagnetic state. The obtained results are used to describe the spin-glass state in (Sm1-xGdx)0.55Sr0.45MnO3.

  5. Replica-exchange Wang-Landau simulations of the H0P lattice protein model

    NASA Astrophysics Data System (ADS)

    Shi, Guangjie; Wüst, Thomas; Li, Ying Wai; Landau, David P.

    The hydrophobic-polar (HP) lattice protein model has been the subject of intensive investigation in an effort to aid our understanding of protein folding. However, the high ground state degeneracies caused by its simplification stands in contrast to the generally unique native states of natural proteins. Here we proposed a simple modification, by introducing a new type of ``neutral'' monomer, 0, i.e. neither hydrophobic nor polar, thus rendering the model more realistic without increasing the difficulties of sampling significantly. With the replica exchange Wang-Landau (REWL) scheme we investigated several widely studied HP proteins and their H0P counterparts. Dramatic differences in both ground state and thermodynamic properties have been found. For example, the H0P version of Crambin shows more clear two-step folding and 3 order of magnitudes less ground state degeneracy than its HP counterpart. Supported by NSF.

  6. Modelling Net Ecosystem Exchange and LUE in Mediterranean Oak Forest by Satellite Remote Sensing

    NASA Astrophysics Data System (ADS)

    Tramontana, Gianluca; Papale, Dario

    2011-01-01

    Net Ecosystem Exchange (NEE) is a key factor defining CO2 fluxes between atmosphere and ecosystems and CO2 flux measurements at individual eddy covariance flux sites provide valuable information on the seasonal dynamics of NEE. In this work, we developed and validated a satellite-based Light Use Efficiency (LUE) model to estimate NEE for a typical oak forest located in Central Italy. Satellite data were acquired by Moderate resolution spectroradiometer (MODIS) sensor installed on board Terra satellite. Oak forest studied is coppice managed; 2 eddy-covariance towers are located inside two forests parcels having different ages. We proposed to estimate LUE like function of mean brightness temperature, Normalized Difference Water Index (NDWI) and Photochemical Reflectance Index (PRI). Empirical multiple regressions models (MR) and Artificial Neural Network (ANN) were parameterized and validated using subset of data acquired by both the stations. Daily, 8-day and monthly temporal resolutions were investigated and accuracy estimation in space and time was performed.

  7. A macrokinetic model of redox sorption on metal-ion exchanger nanocomposites at electrochemical polarization

    NASA Astrophysics Data System (ADS)

    Polyanskii, L. N.; Korzhov, E. N.; Vakhnin, D. D.; Kravchenko, T. A.

    2016-08-01

    A conceptual macrokinetic model of redox sorption on metal-ion exchanger nanocomposites upon electrochemical polarization is formulated and a corresponding mathematical model is constructed. The solution to a multi-point boundary value problem for the concentration of a sorbed substance (oxygen) is given. The concentration front of the sorbed substance is characterized by a concentration gradient in the near-surface layer of the solution, by layers of the products of metal oxidation in the composite forming due to both external and internal diffusion transfer, and by chemical and electrochemical reactions at the interphase boundaries. A considerable reduction in the concentration gradient of the sorbate in layers of the products of oxidation of metal and the growth of the diffusion layer of the solution with polarizing currents weaker than the limiting diffusion current are noted.

  8. Assessment of model estimates of land-atmosphere CO2 exchange across northern Eurasia

    USGS Publications Warehouse

    Rawlins, M.A.; McGuire, A.D.; Kimball, J.S.; Dass, P.; Lawrence, D.; Burke, E.; Chen, X.; Delire, C.; Koven, C.; MacDougall, A.; Peng, S.; Rinke, A.; Saito, K.; Zhang, W.; Alkama, R.; Bohn, T. J.; Ciais, P.; Decharme, B.; Gouttevin, I.; Hajima, T.; Ji, D.; Krinner, G.; Lettenmaier, D.P.; Miller, P.; Moore, J.C.; Smith, B.; Sueyoshi, T.

    2015-01-01

    A warming climate is altering land-atmosphere exchanges of carbon, with a potential for increased vegetation productivity as well as the mobilization of permafrost soil carbon stores. Here we investigate land-atmosphere carbon dioxide (CO2) cycling through analysis of net ecosystem productivity (NEP) and its component fluxes of gross primary productivity (GPP) and ecosystem respiration (ER) and soil carbon residence time, simulated by a set of land surface models (LSMs) over a region spanning the drainage basin of Northern Eurasia. The retrospective simulations cover the period 1960–2009 at 0.5° resolution, which is a scale common among many global carbon and climate model simulations. Model performance benchmarks were drawn from comparisons against both observed CO2 fluxes derived from site-based eddy covariance measurements as well as regional-scale GPP estimates based on satellite remote-sensing data. The site-based comparisons depict a tendency for overestimates in GPP and ER for several of the models, particularly at the two sites to the south. For several models the spatial pattern in GPP explains less than half the variance in the MODIS MOD17 GPP product. Across the models NEP increases by as little as 0.01 to as much as 0.79 g C m−2 yr−2, equivalent to 3 to 340 % of the respective model means, over the analysis period. For the multimodel average the increase is 135 % of the mean from the first to last 10 years of record (1960–1969 vs. 2000–2009), with a weakening CO2 sink over the latter decades. Vegetation net primary productivity increased by 8 to 30 % from the first to last 10 years, contributing to soil carbon storage gains. The range in regional mean NEP among the group is twice the multimodel mean, indicative of the uncertainty in CO2 sink strength. The models simulate that inputs to the soil carbon pool exceeded losses, resulting in a net soil carbon gain amid a decrease in residence time. Our analysis points to improvements in model

  9. Statistical interaction model for exchangeability of food folates in rat growth bioassay.

    PubMed

    Müller, H G; Facer, M R; Bills, N D; Clifford, A J

    1996-10-01

    The comparative value of several sources of dietary folate in promoting growth of folate-depleted rats was determined in a folate depletion-repletion rat growth bioassay. Folate-depleted rats were fed an amino acid-based diet supplemented with 11 different concentrations of folate (227, 272, 317, 363, 408, 454, 499, 544, 590, 635 and 680 nmol/kg) from each of 12 different sources of folate (folic acid, fried beef liver, cooked pinto beans individually, or as 1/3, 1/1, or 3/1 combinations of folate from the folic acid/beans, folic acid/beef liver and beans/beef liver) for a total of 132 treatments. Growth response to folic acid and bean folate was linear, whereas that to beef liver folate was distinctly nonlinear, beef liver folate being more potent at lower dietary concentrations but less potent at higher concentrations compared with folic acid and bean folate. Folic acid and bean folate were equivalent to and exchangeable with one another in promoting growth. Beef liver folate and folic acid/bean folate had an interactive effect in promoting growth. The nature of the interaction was antagonistic in that the presence of folic acid and/or bean folate reduced the efficacy of beef liver folate and vice versa. Beef liver folate is not exchangeable with either folic acid or bean folate. We conclude that food folates generally are not exchangeable and do interact adversely. A statistical interaction model that predicted the growth-promoting effect of several sources of dietary folate was developed and validated. PMID:8857521

  10. Adaptive multi-GPU Exchange Monte Carlo for the 3D Random Field Ising Model

    NASA Astrophysics Data System (ADS)

    Navarro, Cristóbal A.; Huang, Wei; Deng, Youjin

    2016-08-01

    This work presents an adaptive multi-GPU Exchange Monte Carlo approach for the simulation of the 3D Random Field Ising Model (RFIM). The design is based on a two-level parallelization. The first level, spin-level parallelism, maps the parallel computation as optimal 3D thread-blocks that simulate blocks of spins in shared memory with minimal halo surface, assuming a constant block volume. The second level, replica-level parallelism, uses multi-GPU computation to handle the simulation of an ensemble of replicas. CUDA's concurrent kernel execution feature is used in order to fill the occupancy of each GPU with many replicas, providing a performance boost that is more notorious at the smallest values of L. In addition to the two-level parallel design, the work proposes an adaptive multi-GPU approach that dynamically builds a proper temperature set free of exchange bottlenecks. The strategy is based on mid-point insertions at the temperature gaps where the exchange rate is most compromised. The extra work generated by the insertions is balanced across the GPUs independently of where the mid-point insertions were performed. Performance results show that spin-level performance is approximately two orders of magnitude faster than a single-core CPU version and one order of magnitude faster than a parallel multi-core CPU version running on 16-cores. Multi-GPU performance is highly convenient under a weak scaling setting, reaching up to 99 % efficiency as long as the number of GPUs and L increase together. The combination of the adaptive approach with the parallel multi-GPU design has extended our possibilities of simulation to sizes of L = 32 , 64 for a workstation with two GPUs. Sizes beyond L = 64 can eventually be studied using larger multi-GPU systems.

  11. Thermal dispersivity based calibration of a numerical borehole heat exchanger model

    NASA Astrophysics Data System (ADS)

    Wagner, Valentin; Bayer, Peter; Bisch, Gerhard; Klaas, Norbert; Braun, Jürgen; Blum, Philipp

    2013-04-01

    Shallow geothermal energy is used worldwide as a heat and/or cooling source for buildings. The most often used technique to exploit energy from the subsurface is ground source heat pump systems in combination with a borehole heat exchanger (BHE). The BHE consists either of one U-pipe, two U-pipes or a coaxial pipe, which are inserted in a borehole. The remaining void space is filled with a grouting material to improve the thermal connection between the pipes and the subsurface and to protect the subsurface if there is a leakage in the pipes. In the pipes, a heat carrier fluid is circulated to establish a thermal gradient around the BHE and thus promote conductive heat transfer. This causes a temperature anomaly in the subsurface. Extension and magnitude of such temperature anomalies do not only depend on the amount of exchanged energy, but also on the characteristics of the ground and the installed ground source heat pump system itself. In this study, we developed a high-resolution finite element BHE model to simulate the heat propagation from a BHE to the subsurface or vice versa. First, the resulting heat propagation predicted by the numerical model is compared to the analogous analytical solutions. Then the numerical model is calibrated based on a large-scale geothermal tank experiment. The tank has a size of 9m × 6m × 4.5m (length × width × depth), and it hosts a layered artificial aquifer with four BHEs, which are surrounded by a dense temperature sensor network (> 150 PT-100 temperature sensors). In the tank, a hydraulic gradient can be established and thus groundwater flow can be imitated. By calibrating the numerical model, the sensitivity of longitudinal and transversal dispersivity values is evaluated. Our analysis cannot prove that the commonly assumed ratio of 1:10 between transversal and longitudinal dispersivity is correct. Rather, it is shown that there exists a wide range of possible parameter value combinations.

  12. Meson-exchange model for πN scattering and γN-->πN reaction

    NASA Astrophysics Data System (ADS)

    Sato, T.; Lee, T.-S. H.

    1996-11-01

    An effective Hamiltonian consisting of bare Δ⇆πN, γN vertex interactions and energy-independent meson-exchange πN⇆πN,γN transition operators is derived by applying a unitary transformation to a model Lagrangian with N,Δ,π, ρ, ω, and γ fields. With appropriate phenomenological form factors and coupling constants for ρ and Δ, the model can give a good description of πN scattering phase shifts up to the Δ excitation energy region. It is shown that the best reproduction of the recent LEGS data of the photon-asymmetry ratios in γp-->π0p reactions provides rather restricted constraints on the coupling strengths GE of the electric E2 and GM of the magnetic M1 transitions of the bare Δ⇆γN vertex and the less well-determined coupling constant gωNN of ω meson. Within the ranges that GM=1.9+/-0.05, GE=0.0+/-0.025, and 7<=gωNN<=10.5, the predicted differential cross sections and photon-asymmetry ratios are in an overall good agreement with the data of γp-->π0p, γp-->π+n, and γn-->π-p reactions from 180 MeV to the Δ excitation region. The predicted M1+ and E1+ multipole amplitudes are also in good agreement with the empirical values determined by the amplitude analyses. The constructed effective Hamiltonian is free of the nucleon renormalization problem and hence is suitable for nuclear many-body calculations. We have also shown that the assumptions made in the K-matrix method, commonly used in extracting empirically the γN-->Δ transition amplitudes from the data, are consistent with our meson-exchange dynamical model. It is found that the helicity amplitudes calculated from our bare γN-->Δ vertex are in good agreement with the predictions of the constituent quark model. The differences between these bare amplitudes and the dressed amplitudes, which are closer to the empirical values listed by the Particle Data Group, are shown to be due to the nonresonant meson exchange mechanisms. Within the range 7<=gωNN<=10.5 of the ω meson coupling

  13. Diagnosing Model Errors in Canopy-Atmosphere Exchange Using Empirical Orthogonal Functions

    NASA Astrophysics Data System (ADS)

    Drewry, D.; Albertson, J.

    2004-12-01

    Multi-layer canopy process models (MLCPMs) have been established as tools for estimating local-scale canopy-atmosphere scalar (carbon dioxide, heat and water vapor) exchange as well as testing hypotheses regarding the mechanistic functioning of complex vegetated land surfaces and the interactions between vegetation and the local microenvironment. These model frameworks are composed of a coupled set of component submodels relating radiation attenuation and absorption, photosynthesis, turbulent mixing, stomatal conductance, surface energy balance and soil and subsurface processes. Submodel formulations have been validated for a variety of ecosystems under varying environmental conditions. However, each submodel component requires parameter values that are known to vary seasonally as canopy structure changes, and over shorter periods characterized by shifts in the environmental regime. The temporal dependence of submodel parameters limits application of MLCPMs to short-term integrations for which a specific parameterization can be trusted. We present a novel application of empirical orthogonal function (EOF) analysis to the identification of the primary source of MLCPM error. Carbon dioxide (CO2) concentration profiles, a commonly collected and underutilized data source, are the observed quantity in this analysis. The technique relies on an ensemble of model runs transformed to EOF space to determine the characteristic patterns of model error associated with specific submodel parameters. These patterns provide a basis onto which error residual (modeled - measured) CO2 concentration profiles can be projected to identify the primary source of model error. Synthetic tests and application to field data collected at Duke Forest (North Carolina, USA) are presented.

  14. Assessment of model estimates of land-atmosphere CO2 exchange across Northern Eurasia

    DOE PAGES

    Rawlins, M. A.; McGuire, A. D.; Kimball, J. S.; Dass, P.; Lawrence, D.; Burke, E.; Chen, X.; Delire, C.; Koven, C.; MacDougall, A.; et al

    2015-07-28

    A warming climate is altering land-atmosphere exchanges of carbon, with a potential for increased vegetation productivity as well as the mobilization of permafrost soil carbon stores. Here we investigate land-atmosphere carbon dioxide (CO2) cycling through analysis of net ecosystem productivity (NEP) and its component fluxes of gross primary productivity (GPP) and ecosystem respiration (ER) and soil carbon residence time, simulated by a set of land surface models (LSMs) over a region spanning the drainage basin of Northern Eurasia. The retrospective simulations cover the period 1960–2009 at 0.5° resolution, which is a scale common among many global carbon and climate modelmore » simulations. Model performance benchmarks were drawn from comparisons against both observed CO2 fluxes derived from site-based eddy covariance measurements as well as regional-scale GPP estimates based on satellite remote-sensing data. The site-based comparisons depict a tendency for overestimates in GPP and ER for several of the models, particularly at the two sites to the south. For several models the spatial pattern in GPP explains less than half the variance in the MODIS MOD17 GPP product. Across the models NEP increases by as little as 0.01 to as much as 0.79 g C m⁻² yr⁻², equivalent to 3 to 340 % of the respective model means, over the analysis period. For the multimodel average the increase is 135 % of the mean from the first to last 10 years of record (1960–1969 vs. 2000–2009), with a weakening CO2 sink over the latter decades. Vegetation net primary productivity increased by 8 to 30 % from the first to last 10 years, contributing to soil carbon storage gains. The range in regional mean NEP among the group is twice the multimodel mean, indicative of the uncertainty in CO2 sink strength. The models simulate that inputs to the soil carbon pool exceeded losses, resulting in a net soil carbon gain amid a decrease in residence time. Our analysis points to improvements in

  15. The role of tissue microstructure and water exchange in biophysical modelling of diffusion in white matter.

    PubMed

    Nilsson, Markus; van Westen, Danielle; Ståhlberg, Freddy; Sundgren, Pia C; Lätt, Jimmy

    2013-08-01

    Biophysical models that describe the outcome of white matter diffusion MRI experiments have various degrees of complexity. While the simplest models assume equal-sized and parallel axons, more elaborate ones may include distributions of axon diameters and axonal orientation dispersions. These microstructural features can be inferred from diffusion-weighted signal attenuation curves by solving an inverse problem, validated in several Monte Carlo simulation studies. Model development has been paralleled by microscopy studies of the microstructure of excised and fixed nerves, confirming that axon diameter estimates from diffusion measurements agree with those from microscopy. However, results obtained in vivo are less conclusive. For example, the amount of slowly diffusing water is lower than expected, and the diffusion-encoded signal is apparently insensitive to diffusion time variations, contrary to what may be expected. Recent understandings of the resolution limit in diffusion MRI, the rate of water exchange, and the presence of microscopic axonal undulation and axonal orientation dispersions may, however, explain such apparent contradictions. Knowledge of the effects of biophysical mechanisms on water diffusion in tissue can be used to predict the outcome of diffusion tensor imaging (DTI) and of diffusion kurtosis imaging (DKI) studies. Alterations of DTI or DKI parameters found in studies of pathologies such as ischemic stroke can thus be compared with those predicted by modelling. Observations in agreement with the predictions strengthen the credibility of biophysical models; those in disagreement could provide clues of how to improve them. DKI is particularly suited for this purpose; it is performed using higher b-values than DTI, and thus carries more information about the tissue microstructure. The purpose of this review is to provide an update on the current understanding of how various properties of the tissue microstructure and the rate of water exchange

  16. Model-based high-throughput design of ion exchange protein chromatography.

    PubMed

    Khalaf, Rushd; Heymann, Julia; LeSaout, Xavier; Monard, Florence; Costioli, Matteo; Morbidelli, Massimo

    2016-08-12

    This work describes the development of a model-based high-throughput design (MHD) tool for the operating space determination of a chromatographic cation-exchange protein purification process. Based on a previously developed thermodynamic mechanistic model, the MHD tool generates a large amount of system knowledge and thereby permits minimizing the required experimental workload. In particular, each new experiment is designed to generate information needed to help refine and improve the model. Unnecessary experiments that do not increase system knowledge are avoided. Instead of aspiring to a perfectly parameterized model, the goal of this design tool is to use early model parameter estimates to find interesting experimental spaces, and to refine the model parameter estimates with each new experiment until a satisfactory set of process parameters is found. The MHD tool is split into four sections: (1) prediction, high throughput experimentation using experiments in (2) diluted conditions and (3) robotic automated liquid handling workstations (robotic workstation), and (4) operating space determination and validation. (1) Protein and resin information, in conjunction with the thermodynamic model, is used to predict protein resin capacity. (2) The predicted model parameters are refined based on gradient experiments in diluted conditions. (3) Experiments on the robotic workstation are used to further refine the model parameters. (4) The refined model is used to determine operating parameter space that allows for satisfactory purification of the protein of interest on the HPLC scale. Each section of the MHD tool is used to define the adequate experimental procedures for the next section, thus avoiding any unnecessary experimental work. We used the MHD tool to design a polishing step for two proteins, a monoclonal antibody and a fusion protein, on two chromatographic resins, in order to demonstrate it has the ability to strongly accelerate the early phases of process

  17. Modeling of protein-anion exchange resin interaction for the human growth hormone charge variants.

    PubMed

    Lapelosa, Mauro; Patapoff, Thomas W; Zarraga, Isidro E

    2015-12-01

    Modeling ion exchange chromatography (IEC) behavior has generated significant interest because of the wide use of IEC as an analytical technique as well as a preparative protein purification process; indeed there is a need for better understanding of what drives the unique behavior of protein charge variants. We hypothesize that a complex protein molecule, which contains both hydrophobic and charged moieties, would interact strongly with an in silico designed resin through charged electrostatic patches on the surface of the protein. In the present work, variants of recombinant human growth hormone that mimic naturally-occurring deamidation products were produced and characterized in silico. The study included these four variants: rhGH, N149D, N152D, and N149D/N152D. Poisson-Boltzmann calculations were used to determine surface electrostatic potential. Metropolis Monte Carlo simulations were carried out with the resulting variants to simulate IEC systems, examining the free energy of the interaction of the protein with an in silico anion exchange column represented by polylysine polypeptide. The results show that the charge variants have different average binding energies and the free energy of interaction can be used to predict the retention time for the different variants.

  18. Modeling heat exchange characteristics of long term space operations: Role of skin wettedness and exercise

    NASA Technical Reports Server (NTRS)

    Gonzalez, Richard R.

    1994-01-01

    The problems of heat exchange during rest and exercise during long term space operations are covered in this report. Particular attention is given to the modeling and description of the consequences of requirement to exercise in a zero-g atmosphere during Space Shuttle flights, especially long term ones. In space environments, there exists no free convection therefore only forced convection occurring by movement, such as pedalling on a cycle ergometer, augments required heat dissipation necessary to regulate body temperature. The requirement to exercise at discrete periods of the day is good practice in order to resist the deleterious consequences of zero-gravity problems and improve distribution of body fluids. However, during exercise (ca. 180 to 250W), in zero-g environments, the mass of eccrine sweating rests as sheets on the skin surface and the sweat cannot evaporate readily. The use of exercise suits with fabrics that have hydrophobic or outwicking properties somewhat distributes the mass of sweat to a larger surface from which to evaporate. However, with no free convection, increased skin wettedness throughout the body surface induces increasing thermal discomfort, particularly during continuous exercise. This report presents several alternatives to aid in this problem: use of intermittent exercise, methods to quantify local skin wettedness, and introduction of a new effective temperature that integrates thermal stress and heat exchange avenues in a zero-g atmosphere.

  19. A novel self-organizing E-Learner community model with award and exchange mechanisms.

    PubMed

    Yang, Fan; Shen, Rui-min; Han, Peng

    2004-11-01

    How to share experience and resources among learners is becoming one of the hottest topics in the field of E-Learning collaborative techniques. An intuitive way to achieve this objective is to group learners which can help each other into the same community and help them learn collaboratively. In this paper, we proposed a novel community self-organization model based on multi-agent mechanism, which can automatically group learners with similar preferences and capabilities. In particular, we proposed award and exchange schemas with evaluation and preference track records to raise the performance of this algorithm. The description of learner capability, the matchmaking process, the definition of evaluation and preference track records, the rules of award and exchange schemas and the self-organization algorithm are all discussed in this paper. Meanwhile, a prototype has been built to verify the validity and efficiency of the algorithm. Experiments based on real learner data showed that this mechanism can organize learner communities properly and efficiently; and that it has sustainable improved efficiency and scalability.

  20. Towards a consistent approach of measuring and modelling CO2 exchange with manual chambers

    NASA Astrophysics Data System (ADS)

    Huth, Vytas; Vaidya, Shrijana; Hoffmann, Mathias; Jurisch, Nicole; Günther, Anke; Gundlach, Laura; Hagemann, Ulrike; Elsgaard, Lars; Augustin, Jürgen

    2016-04-01

    Determining ecosystem CO2 exchange with the manual closed chamber method has been applied in the past for e.g. plant, soil or treatment on a wide range of terrestrial ecosystems. Its major limitation is the discontinuous data acquisation challenging any gap-filling procedures. In addition, both data acquisition and gap-filling of closed chamber data have been carried out in different ways in the past. The reliability and comparability of the derived results from different closed chamber studies has therefore remained unclear. Hence, this study compares two different approaches of obtaining fluxes of gross primary production (GPP) either via sunrise to noon or via gradually-shaded mid-day measurements of transparent chamber fluxes (i.e. net ecosystem exchange, NEE) and opaque chamber fluxes (i.e., ecosystem respiration, RECO) on a field experiment plot in NE Germany cropped with a lucerne-clover-grass mix. Additionally, we compare three approaches of pooling RECO data for consecutive modelling of annual balances of NEE, i.e. campaign-wise (single measurement day RECO models), seasonal-wise (one RECO model for the entire study period), and cluster-wise (two RECO models representing low-/high-vegetation-stage data) modelling. The annual NEE balances of the sunrise to noon measurements are insensitive towards differing RECO modelling approaches (-101 to -131 g C m-2), whereas the choice of modelling annual NEE balances with the shaded mid-day measurements must be taken carefully (-200 to 425 g C m-2). In addition, the campaign-wise RECO modelling approach is very sensitive to daily data pooling (sunrise vs. mid-day) and only advisable when the diurnal variability of CO2 fluxes and environmental parameters (i.e. photosynthetically active radiation, temperature) is sufficiently covered. The seasonal- and cluster-wise approaches lead to robust NEE balances with only little variation in terms of daily data collection. We therefore recommend sunrise to noon measurements and

  1. Towards a consistent approach of measuring and modelling CO2 exchange with manual chambers

    NASA Astrophysics Data System (ADS)

    Huth, Vytas; Vaidya, Shrijana; Hoffmann, Mathias; Jurisch, Nicole; Günther, Anke; Gundlach, Laura; Hagemann, Ulrike; Elsgaard, Lars; Augustin, Jürgen

    2016-04-01

    Determining ecosystem CO2 exchange with the manual closed chamber method has been applied in the past for e.g. plant, soil or treatment on a wide range of terrestrial ecosystems. Its major limitation is the discontinuous data acquisation challenging any gap-filling procedures. In addition, both data acquisition and gap-filling of closed chamber data have been carried out in different ways in the past. The reliability and comparability of the derived results from different closed chamber studies has therefore remained unclear. Hence, this study compares two different approaches of obtaining fluxes of gross primary production (GPP) either via sunrise to noon or via gradually-shaded mid-day measurements of transparent chamber fluxes (i.e. net ecosystem exchange, NEE) and opaque chamber fluxes (i.e., ecosystem respiration, RECO) on a field experiment plot in NE Germany cropped with a lucerne-clover-grass mix. Additionally, we compare three approaches of pooling RECO data for consecutive modelling of annual balances of NEE, i.e. campaign-wise (single measurement day RECO models), seasonal-wise (one RECO model for the entire study period), and cluster-wise (two RECO models representing low-/high-vegetation-stage data) modelling. The annual NEE balances of the sunrise to noon measurements are insensitive towards differing RECO modelling approaches (-101 to -131 g C m‑2), whereas the choice of modelling annual NEE balances with the shaded mid-day measurements must be taken carefully (-200 to 425 g C m‑2). In addition, the campaign-wise RECO modelling approach is very sensitive to daily data pooling (sunrise vs. mid-day) and only advisable when the diurnal variability of CO2 fluxes and environmental parameters (i.e. photosynthetically active radiation, temperature) is sufficiently covered. The seasonal- and cluster-wise approaches lead to robust NEE balances with only little variation in terms of daily data collection. We therefore recommend sunrise to noon measurements

  2. Alveolar ventilation to perfusion heterogeneity and diffusion impairment in a mathematical model of gas exchange

    NASA Technical Reports Server (NTRS)

    Vidal Melo, M. F.; Loeppky, J. A.; Caprihan, A.; Luft, U. C.

    1993-01-01

    This study describes a two-compartment model of pulmonary gas exchange in which alveolar ventilation to perfusion (VA/Q) heterogeneity and impairment of pulmonary diffusing capacity (D) are simultaneously taken into account. The mathematical model uses as input data measurements usually obtained in the lung function laboratory. It consists of two compartments and an anatomical shunt. Each compartment receives fractions of alveolar ventilation and blood flow. Mass balance equations and integration of Fick's law of diffusion are used to compute alveolar and blood O2 and CO2 values compatible with input O2 uptake and CO2 elimination. Two applications are presented. The first is a method to partition O2 and CO2 alveolar-arterial gradients into VA/Q and D components. The technique is evaluated in data of patients with chronic obstructive pulmonary disease (COPD). The second is a theoretical analysis of the effects of blood flow variation in alveolar and blood O2 partial pressures. The results show the importance of simultaneous consideration of D to estimate VA/Q heterogeneity in patients with diffusion impairment. This factor plays an increasing role in gas alveolar-arterial gradients as severity of COPD increases. Association of VA/Q heterogeneity and D may produce an increase of O2 arterial pressure with decreasing QT which would not be observed if only D were considered. We conclude that the presented computer model is a useful tool for description and interpretation of data from COPD patients and for performing theoretical analysis of variables involved in the gas exchange process.

  3. Wall reflection modeling for charge exchange recombination spectroscopy (CXRS) measurements on Textor and ITER

    NASA Astrophysics Data System (ADS)

    Banerjee, Santanu; Vasu, P.; von Hellermann, M.; Jaspers, R. J. E.

    2010-12-01

    Contamination of optical signals by reflections from the tokamak vessel wall is a matter of great concern. For machines such as ITER and future reactors, where the vessel wall will be predominantly metallic, this is potentially a risk factor for quantitative optical emission spectroscopy. This is, in particular, the case when bremsstrahlung continuum radiation from the bulk plasma is used as a common reference light source for the cross-calibration of visible spectroscopy. In this paper the reflected contribution to the continuum level in Textor and ITER has been estimated for the detection channels meant for charge exchange recombination spectroscopy (CXRS). A model assuming diffuse reflection has been developed for the bremsstrahlung which is a much extended source. Based on this model, it is shown that in the case of ITER upper port 3, a wall with a moderate reflectivity of 20% leads to the wall reflected fraction being as high as 55-60% of the weak signals in the edge channels. In contrast, a complete bidirectional reflectance distribution function (BRDF) based model has been developed in order to estimate the reflections from more localized sources like the charge exchange (CX) emission from a neutral beam in tokamaks. The largest signal contamination of ~15% is seen in the core CX channels, where the true CX signal level is much lower than that in the edge channels. Similar values are obtained for Textor also. These results indicate that the contributions from wall reflections may be large enough to significantly distort the overall spectral features of CX data, warranting an analysis at different wavelengths.

  4. Charge-exchange plasma environment for an ion drive spacecraft. [a model for describing mercury ion engines and its effect on spacecraft subsystems

    NASA Technical Reports Server (NTRS)

    Kaufman, H. R.; Carruth, M. R., Jr.

    1979-01-01

    The charge exchange plasma environment around a spacecraft that uses mercury ion thrusters for propulsion is described. The interactions between the plasma environment and the spacecraft are determined and a model which describes the propagation of the mercury charge exchange plasma is discussed. The model is extended to describe the flow of the molybdenum component of the charge exchange plasma. The uncertainties in the models for various conditions are discussed and current drain to the solar array, charge exchange plasma material deposition, and the effects of space plasma on the charge exchange plasma propagation are addressed.

  5. Liquid ventilation improves pulmonary function, gas exchange, and lung injury in a model of respiratory failure.

    PubMed Central

    Hirschl, R B; Parent, A; Tooley, R; McCracken, M; Johnson, K; Shaffer, T H; Wolfson, M R; Bartlett, R H

    1995-01-01

    OBJECTIVE: The authors evaluated gas exchange, pulmonary function, and lung histology during perfluorocarbon liquid ventilation (LV) when compared with gas ventilation (GV) in the setting of severe respiratory failure. BACKGROUND: The efficacy of LV in the setting of respiratory failure has been evaluated in premature animals with surfactant deficiency. However, very little work has been performed in evaluating the efficacy of LV in older animal models of the adult respiratory distress syndrome (ARDS). METHODS: A stable model of lung injury was induced in 12 young sheep weighing 16.4 +/- 3.0 kg using right atrial injection of 0.07 mL/kg of oleic acid followed by saline pulmonary lavage and bijugular venovenous extracorporeal life support (ECLS). For the first 30 minutes on ECLS, all animals were ventilated with gas. Animals were then ventilated with either 15 mL/kg gas (GV, n = 6) or perflubron ([PFC], LV, n = 6) over the ensuing 2.5 hours. Subsequently, ECLS was discontinued in five of the GV animals and five of the LV animals, and GV or LV continued for 1 hour or until death. MAIN FINDINGS: Physiologic shunt (Qps/Qt) was significantly reduced in the LV animals when compared with the GV animals (LV = 31 +/- 10%; GV = 93 +/- 4%; p < 0.001) after 3 hours of ECLS. At the same time point, pulmonary compliance (CT) was significantly increased in the LV group when compared with the GV group (LV = 1.04 +/- 0.19 mL/cm H2O/kg; GV = 0.41 +/- 0.02 mL/cm H2O/kg; p < 0.001). In addition, the ECLS flow rate required to maintain the PaO2 in the 50- to 80-mm Hg range was substantially and significantly lower in the LV group when compared with that of the GV group (LV = 14 +/- 5 mL/kg/min; GV = 87 +/- 15 mL/kg/min; p < 0.001). All of the GV animals died after discontinuation of ECLS, whereas all the LV animals demonstrated effective gas exchange without extracorporeal support for 1 hour (p < 0.01). Lung biopsy light microscopy demonstrated a marked reduction in alveolar hemorrhage

  6. Kinetic model for the vibrational energy exchange in flowing molecular gas mixtures. Ph.D. Thesis

    NASA Technical Reports Server (NTRS)

    Offenhaeuser, F.

    1987-01-01

    The present study is concerned with the development of a computational model for the description of the vibrational energy exchange in flowing gas mixtures, taking into account a given number of energy levels for each vibrational degree of freedom. It is possible to select an arbitrary number of energy levels. The presented model uses values in the range from 10 to approximately 40. The distribution of energy with respect to these levels can differ from the equilibrium distribution. The kinetic model developed can be employed for arbitrary gaseous mixtures with an arbitrary number of vibrational degrees of freedom for each type of gas. The application of the model to CO2-H2ON2-O2-He mixtures is discussed. The obtained relations can be utilized in a study of the suitability of radiation-related transitional processes, involving the CO2 molecule, for laser applications. It is found that the computational results provided by the model agree very well with experimental data obtained for a CO2 laser. Possibilities for the activation of a 16-micron and 14-micron laser are considered.

  7. Assessment of the Draft AIAA S-119 Flight Dynamic Model Exchange Standard

    NASA Technical Reports Server (NTRS)

    Jackson, E. Bruce; Murri, Daniel G.; Hill, Melissa A.; Jessick, Matthew V.; Penn, John M.; Hasan, David A.; Crues, Edwin Z.; Falck, Robert D.; McCarthy, Thomas G.; Vuong, Nghia; Zimmerman, Curtis

    2011-01-01

    An assessment of a draft AIAA standard for flight dynamics model exchange, ANSI/AIAA S-119-2011, was conducted on behalf of NASA by a team from the NASA Engineering and Safety Center. The assessment included adding the capability of importing standard models into real-time simulation facilities at several NASA Centers as well as into analysis simulation tools. All participants were successful at importing two example models into their respective simulation frameworks by using existing software libraries or by writing new import tools. Deficiencies in the libraries and format documentation were identified and fixed; suggestions for improvements to the standard were provided to the AIAA. An innovative tool to generate C code directly from such a model was developed. Performance of the software libraries compared favorably with compiled code. As a result of this assessment, several NASA Centers can now import standard models directly into their simulations. NASA is considering adopting the now-published S-119 standard as an internal recommended practice.

  8. Dual diffusion and finite mass exchange model for adsorption kinetics in activated carbon

    SciTech Connect

    Do, D.D.; Wang, K.

    1998-01-01

    A model allowing for the finite mass exchange between the two phases is proposed for the description of adsorption kinetics in activated carbon. This model based on Do`s earlier structural model for activated carbon involves three mass-transfer processes: pore diffusion, adsorbed phase diffusion, and finite mass interchange between the fluid and adsorbed phases. The solid phase is heterogeneous, which is characterized by the micropore size distribution. The interaction between the adsorbate molecule and the micropore is calculated from the Lennard-Jones potential theory. The model developed for nonpolar adsorbates is tested with the experimental data of seven adsorbates (paraffin gases, aromatics, carbon dioxide, and sulfur dioxide) on pellets of different shapes and sizes and at various operating conditions. The finite kinetics play an important role in the overall kinetics. Failure to account for this finite kinetics makes the model unable to describe correctly the desorption behavior, since under such conditions, the ability of the particle to release adsorbed molecules is dictated mostly by the resistance at the pore mouth of the micropore.

  9. Simulation of land-atmosphere gaseous exchange using a coupled land surface-biogeochemical model

    NASA Astrophysics Data System (ADS)

    Gu, C.; Riley, W. J.; Perez, T. J.; Pan, L.

    2009-12-01

    It is important to develop and evaluate biogeochemical models that on the one hand represent vegetation and soil dynamics and on the other hand provide energy and water fluxes in a temporal resolution suitable for biogeochemical processes. In this study, we present a consistent coupling between a common land surface model (CLM3.0) and a recently developed biogeochemical model (TOUGHREACT-N). The model TOUGHREACT-N (TR-N) is one of the few process-based models that simulate green house gases fluxes by using an implicit scheme to solve the diffusion equations governing soil heat and water fluxes. By coupling with CLM3.0, we have significantly improved TR-N by including realistic representations of surface water, energy, and momentum exchanges, through the use of improved formulations for soil evaporation, plant transpiration, vegetation growth, and plant nitrogen uptake embedded in CLM3.0. The coupled CLMTR-N model is a first step for a full coupling of land surface and biogeochemical processes. The model is evaluated with measurements of soil temperature, soil water content, and N2O and N2 gaseous emission data from fallow, corn, and forest sites in Venezuela. The results demonstrate that the CLMTR-N model simulates realistic diurnal variation of soil temperature, soil water content, and N gaseous fluxes. For example, mean differences between predicted and observed midday near-surface soil water content were 8, 11, and 4 % in July, August, and September. The sensitivity of the biogeochemical processes and resulting N emissions to variation in environmental drivers is high, which indicates the need to calculate biogeochemical processes in, at least, two hourly time steps using dynamically updated (rather than daily averaged) soil environmental conditions. The development in CLMTR-N of such a complex representation of processes will allow us to characterize relevant processes and simplifications appropriate for regional to global-scale coupled biogeochemical and

  10. Comparison of heat flux estimations from two turbulent exchange models based on thermal UAV data.

    NASA Astrophysics Data System (ADS)

    Hoffmann, Helene; Nieto, Hector; Jensen, Rasmus; Friborg, Thomas

    2015-04-01

    Advantages of UAV (Unmanned Aerial Vehicle) data-collection, compared to more traditional data-collections are numerous and already well-discussed (Berni et al., 2009; Laliberte et al., 2011; Turner et al., 2012). However studies investigating the quality and applications of UAV-data are crucial if advantages are to be beneficial for scientific purposes. In this study, thermal data collected over an agricultural site in Denmark have been obtained using a fixed-wing UAV and investigated for the estimation of heat fluxes. Estimation of heat fluxes requires high precision data and careful data processing. Latent, sensible and soil heat fluxes are estimates through two models of the two source energy modelling scheme driven by remotely sensed observations of land surface temperature; the original TSEB (Norman et al., 1995) and the DTD (Norman et al., 2000) which builds on the TSEB. The DTD model accounts for errors arising when deriving radiometric temperatures and can to some extent compensate for the fact that thermal cameras rarely are accurate. The DTD model requires an additional set of remotely sensed data during morning hours of the day at which heat fluxes are to be determined. This makes the DTD model ideal to use when combined with UAV data, because acquisition of data is not limited by fixed time by-passing tracks like satellite images (Guzinski et al., 2013). Based on these data, heat fluxes are computed from the two models and compared with fluxes from an eddy covariance station situated within the same designated agricultural site. This over-all procedure potentially enables an assessment of both the collected thermal UAV-data and of the two turbulent exchange models. Results reveal that both TSEB and DTD models compute heat fluxes from thermal UAV data that is within a very reasonable range and also that estimates from the DTD model is in best agreement with the eddy covariance system.

  11. THERMAL MODELING ANALYSIS OF CST MEDIA IN THE SMALL COLUMN ION EXCHANGE PROJECT

    SciTech Connect

    Lee, S.

    2010-11-01

    Models have been developed to simulate the thermal characteristics of Crystalline Silicotitanate (CST) ion exchange media fully loaded with radioactive cesium in a column configuration and distributed within a waste storage tank. This work was conducted to support the Small Column Ion Exchange (SCIX) program which is focused on processing dissolved, high-sodium salt waste for the removal of specific radionuclides (including Cs-137, Sr-90, and actinides) within a High Level Waste (HLW) storage tank at the Savannah River Site. The SCIX design includes CST columns inserted and supported in the tank top risers for cesium removal. Temperature distributions and maximum temperatures across the column were calculated with a focus on process upset conditions. A two-dimensional computational modeling approach for the in-column ion-exchange domain was taken to include conservative, bounding estimates for key parameters such that the results would provide the maximum centerline temperatures achievable under the design configurations using a feed composition known to promote high cesium loading on CST. One salt processing scenario includes the transport of the loaded (and possibly ground) CST media to the treatment tank floor. Therefore, additional thermal modeling calculations were conducted using a three-dimensional approach to evaluate temperature distributions for the entire in-tank domain including distribution of the spent CST media either as a mound or a flat layer on the tank floor. These calculations included mixtures of CST with HLW sludge or loaded Monosodium Titanate (MST) media used for strontium/actinide sorption. The current full-scale design for the CST column includes one central cooling pipe and four outer cooling tubes. Most calculations assumed that the fluid within the column was stagnant (i.e. no buoyancy-induced flow) for a conservative estimate. A primary objective of these calculations was to estimate temperature distributions across packed CST beds

  12. Development and Evaluation of a New Air Exchange Rate Algorithm for the Stochastic Human Exposure and Dose Simulation Model

    EPA Science Inventory

    between-home and between-city variability in residential pollutant infiltration. This is likely a result of differences in home ventilation, or air exchange rates (AER). The Stochastic Human Exposure and Dose Simulation (SHEDS) model is a population exposure model that uses a pro...

  13. Mathematical modeling and remote monitoring of ion-exchange separation of transplutonium elements

    SciTech Connect

    Tselishchev, I.V.; Elesin, A.A.

    1988-07-01

    A mathematical model and calculational algorithms for the elution curves for ion-exchange separation of transplutonium elements (TPE) and the limits of optimal fractionation of the substances being separated, based on indicators of the process (yield, purification), are presented. The calculational programs are part of the programming provision of a small informational-calculational system based on the microcomputer Elektronika DZ-28, intended for remote monitoring of TPE separation. The elaborated programs can be implemented in the preliminary choice of necessary conditions of the TPE separation process, and also during and after the separation process for comparison of calculated results with the results of continuous, on-line remote monitoring and with the results of laboratory sample analysis. The possible application of the programs has been checked in the instance of the separation of curium and americium, and einsteinium and californium, the results of which are in satisfactory agreement with the results of remote and laboratory-analytical monitoring.

  14. Charge-exchange reactions from the standpoint of the parton model

    NASA Astrophysics Data System (ADS)

    Nekrasov, M. L.

    2015-11-01

    Using simple arguments, we show that charge-exchange reactions at high energies go through the hard scattering of fast quarks. On this basis we describe π-p→ M0n and K-p→ M0Λ, M0=π0,η,η', in a combined approach which defines hard contributions in the parton model and soft ones in Regge phenomenology. The disappearance of a dip according to recent GAMS- 4π data in the differential cross-section K-p→ηΛ at \\vert t\\vert≈ 0.4-0.5 (GeV/c)2 at transition to relatively high momenta, is explained as a manifestation of a mode change of summation of hard contributions from coherent to incoherent. Other manifestations of the mentioned mode change are discussed. Constraints on the η- η{^' mixing and gluonium admixture in η{^' are obtained.

  15. Two-component mixture model: Application to palm oil and exchange rate

    NASA Astrophysics Data System (ADS)

    Phoong, Seuk-Yen; Ismail, Mohd Tahir; Hamzah, Firdaus Mohamad

    2014-12-01

    Palm oil is a seed crop which is widely adopt for food and non-food products such as cookie, vegetable oil, cosmetics, household products and others. Palm oil is majority growth in Malaysia and Indonesia. However, the demand for palm oil is getting growth and rapidly running out over the years. This phenomenal cause illegal logging of trees and destroy the natural habitat. Hence, the present paper investigates the relationship between exchange rate and palm oil price in Malaysia by using Maximum Likelihood Estimation via Newton-Raphson algorithm to fit a two components mixture model. Besides, this paper proposes a mixture of normal distribution to accommodate with asymmetry characteristics and platykurtic time series data.

  16. Finite element modeling of borehole heat exchanger systems. Part 2. Numerical simulation

    NASA Astrophysics Data System (ADS)

    Diersch, H.-J. G.; Bauer, D.; Heidemann, W.; Rühaak, W.; Schätzl, P.

    2011-08-01

    Single borehole heat exchanger (BHE) and arrays of BHE are modeled by using the finite element method. Applying BHE in regional discretizations optimal conditions of mesh spacing around singular BHE nodes are derived. Optimal meshes have shown superior to such discretizations which are either too fine or too coarse. The numerical methods are benchmarked against analytical and numerical reference solutions. Practical application to a borehole thermal energy store (BTES) consisting of 80 BHE is given for the real-site BTES Crailsheim, Germany. The simulations are controlled by the specifically developed FEFLOW-TRNSYS coupling module. Scenarios indicate the effect of the groundwater flow regime on efficiency and reliability of the subsurface heat storage system.

  17. Modelling the Interaction of Multiple Borehole Heat Exchangers in Shallow Geothermal Fields

    NASA Astrophysics Data System (ADS)

    Shao, H.; Schelenz, S.; Kist, N.; Shim, B. O.; Bucher, A.; Kolditz, O.

    2014-12-01

    The utilization of Borehole Heat Exchanger (BHE) to transfer heat from the shallow subsurface has been a common practice for the Ground Source Heat Pump (GSHP) system. To represent realistic application scenarios for numerical simulations of such systems, saturated and unsaturated conditions as well as heterogeneous soil properties have to be considered. Analytical solutions such as the Moving Finite Line Source (MFLS) model are not flexible enough to capture the full dynamics of the system. Furthermore, application examples with a high density of installed BHEs exist. There, temperature plumes produced by the individual BHEs may start to interact with each other and lead to lower thermal output. To simulate this interaction, a dual continuum approach has been implemented into the open-source FEM simulator OpenGeoSys (OGS). The model is capable of simulating the temperature evolution around the BHE, with the consideration of both saturated and unsaturated groundwater flow processes in the surrounding soil. Instead of imposing Dirichlet or Neumann type of boundary condition at the location of a BHE, the newly developed model allows the user to specify inflow refrigerant temperature and flow rate as the driving force of heat transport. In a benchmark with homogeneous soil properties and fully saturated condition, temperature evolution predicted by the numerical model has been verified against MFLS analytical solution. In a second benchmark, the model simulated outflow temperature is validated by comparing to field measured data from a Thermal Response Test (TRT), provided by the Korean Institute of Geoscience and Mineral Resources (KIGAM) in Dajeon, South Korea. After simulating several shallow geothermal scenarios of multiple BHEs operating in close vicinity, we find that the super-imposed MFLS based analytical solution predicts similar temperature distribution, provided the heat extraction from each BHE is relatively low. However, when the heat exchange rate is

  18. Model of Heat Exchangers for Waste Heat Recovery from Diesel Engine Exhaust for Thermoelectric Power Generation

    NASA Astrophysics Data System (ADS)

    Baker, Chad; Vuppuluri, Prem; Shi, Li; Hall, Matthew

    2012-06-01

    The performance and operating characteristics of a hypothetical thermoelectric generator system designed to extract waste heat from the exhaust of a medium-duty turbocharged diesel engine were modeled. The finite-difference model consisted of two integrated submodels: a heat exchanger model and a thermoelectric device model. The heat exchanger model specified a rectangular cross-sectional geometry with liquid coolant on the cold side, and accounted for the difference between the heat transfer rate from the exhaust and that to the coolant. With the spatial variation of the thermoelectric properties accounted for, the thermoelectric device model calculated the hot-side and cold-side heat flux for the temperature boundary conditions given for the thermoelectric elements, iterating until temperature and heat flux boundary conditions satisfied the convection conditions for both exhaust and coolant, and heat transfer in the thermoelectric device. A downhill simplex method was used to optimize the parameters that affected the electrical power output, including the thermoelectric leg height, thermoelectric n-type to p-type leg area ratio, thermoelectric leg area to void area ratio, load electrical resistance, exhaust duct height, coolant duct height, fin spacing in the exhaust duct, location in the engine exhaust system, and number of flow paths within the constrained package volume. The calculation results showed that the configuration with 32 straight fins was optimal across the 30-cm-wide duct for the case of a single duct with total height of 5.5 cm. In addition, three counterflow parallel ducts or flow paths were found to be an optimum number for the given size constraint of 5.5 cm total height, and parallel ducts with counterflow were a better configuration than serpentine flow. Based on the reported thermoelectric properties of MnSi1.75 and Mg2Si0.5Sn0.5, the maximum net electrical power achieved for the three parallel flow paths in a counterflow arrangement was 1

  19. A Test of the Optimality Approach to Modelling Canopy gas Exchange by Natural Vegetation

    NASA Astrophysics Data System (ADS)

    Schymanski, S. J.; Sivapalan, M.; Roderick, M. L.; Beringer, J.; Hutley, L. B.

    2005-12-01

    Natural vegetation has co-evolved with its environment over a long period of time and natural selection has led to a species composition that is most suited for the given conditions. Part of this adaptation is the vegetation's water use strategy, which determines the amount and timing of water extraction from the soil. Knowing that water extraction by vegetation often accounts for over 90% of the annual water balance in some places, we need to understand its controls if we want to properly model the hydrologic cycle. Water extraction by roots is driven by transpiration from the canopy, which in turn is an inevitable consequence of CO2 uptake for photosynthesis. Photosynthesis provides plants with their main building material, carbohydrates, and with the energy necessary to thrive and prosper in their environment. Therefore we expect that natural vegetation would have evolved an optimal water use strategy to maximise its `net carbon profit' (the difference between carbon acquired by photosynthesis and carbon spent on maintenance of the organs involved in its uptake). Based on this hypothesis and on an ecophysiological gas exchange and photosynthesis model (Cowan and Farquhar 1977; von Caemmerer 2000), we model the optimal vegetation for a site in Howard Springs (N.T., Australia) and compare the modelled fluxes with measurements by Beringer, Hutley et al. (2003). The comparison gives insights into theoretical and real controls on transpiration and photosynthesis and tests the optimality approach to modelling gas exchange of natural vegetation with unknown properties. The main advantage of the optimality approach is that no assumptions about the particular vegetation on a site are needed, which makes it very powerful for predicting vegetation response to long-term climate- or land use change. Literature: Beringer, J., L. B. Hutley, et al. (2003). "Fire impacts on surface heat, moisture and carbon fluxes from a tropical savanna in northern Australia." International

  20. Testing complex networks of interaction at the onset of the Near Eastern Neolithic using modelling of obsidian exchange.

    PubMed

    Ibáñez, Juan José; Ortega, David; Campos, Daniel; Khalidi, Lamya; Méndez, Vicenç

    2015-06-01

    In this paper, we explore the conditions that led to the origins and development of the Near Eastern Neolithic using mathematical modelling of obsidian exchange. The analysis presented expands on previous research, which established that the down-the-line model could not explain long-distance obsidian distribution across the Near East during this period. Drawing from outcomes of new simulations and their comparison with archaeological data, we provide results that illuminate the presence of complex networks of interaction among the earliest farming societies. We explore a network prototype of obsidian exchange with distant links which replicates the long-distance movement of ideas, goods and people during the Early Neolithic. Our results support the idea that during the first (Pre-Pottery Neolithic A) and second (Pre-Pottery Neolithic B) phases of the Early Neolithic, the complexity of obsidian exchange networks gradually increased. We propose then a refined model (the optimized distant link model) whereby long-distance exchange was largely operated by certain interconnected villages, resulting in the appearance of a relatively homogeneous Neolithic cultural sphere. We hypothesize that the appearance of complex interaction and exchange networks reduced risks of isolation caused by restricted mobility as groups settled and argue that these networks partially triggered and were crucial for the success of the Neolithic Revolution. Communities became highly dynamic through the sharing of experiences and objects, while the networks that developed acted as a repository of innovations, limiting the risk of involution. PMID:25948614

  1. Testing complex networks of interaction at the onset of the Near Eastern Neolithic using modelling of obsidian exchange.

    PubMed

    Ibáñez, Juan José; Ortega, David; Campos, Daniel; Khalidi, Lamya; Méndez, Vicenç

    2015-06-01

    In this paper, we explore the conditions that led to the origins and development of the Near Eastern Neolithic using mathematical modelling of obsidian exchange. The analysis presented expands on previous research, which established that the down-the-line model could not explain long-distance obsidian distribution across the Near East during this period. Drawing from outcomes of new simulations and their comparison with archaeological data, we provide results that illuminate the presence of complex networks of interaction among the earliest farming societies. We explore a network prototype of obsidian exchange with distant links which replicates the long-distance movement of ideas, goods and people during the Early Neolithic. Our results support the idea that during the first (Pre-Pottery Neolithic A) and second (Pre-Pottery Neolithic B) phases of the Early Neolithic, the complexity of obsidian exchange networks gradually increased. We propose then a refined model (the optimized distant link model) whereby long-distance exchange was largely operated by certain interconnected villages, resulting in the appearance of a relatively homogeneous Neolithic cultural sphere. We hypothesize that the appearance of complex interaction and exchange networks reduced risks of isolation caused by restricted mobility as groups settled and argue that these networks partially triggered and were crucial for the success of the Neolithic Revolution. Communities became highly dynamic through the sharing of experiences and objects, while the networks that developed acted as a repository of innovations, limiting the risk of involution.

  2. Testing complex networks of interaction at the onset of the Near Eastern Neolithic using modelling of obsidian exchange

    PubMed Central

    Ibáñez, Juan José; Ortega, David; Campos, Daniel; Khalidi, Lamya; Méndez, Vicenç

    2015-01-01

    In this paper, we explore the conditions that led to the origins and development of the Near Eastern Neolithic using mathematical modelling of obsidian exchange. The analysis presented expands on previous research, which established that the down-the-line model could not explain long-distance obsidian distribution across the Near East during this period. Drawing from outcomes of new simulations and their comparison with archaeological data, we provide results that illuminate the presence of complex networks of interaction among the earliest farming societies. We explore a network prototype of obsidian exchange with distant links which replicates the long-distance movement of ideas, goods and people during the Early Neolithic. Our results support the idea that during the first (Pre-Pottery Neolithic A) and second (Pre-Pottery Neolithic B) phases of the Early Neolithic, the complexity of obsidian exchange networks gradually increased. We propose then a refined model (the optimized distant link model) whereby long-distance exchange was largely operated by certain interconnected villages, resulting in the appearance of a relatively homogeneous Neolithic cultural sphere. We hypothesize that the appearance of complex interaction and exchange networks reduced risks of isolation caused by restricted mobility as groups settled and argue that these networks partially triggered and were crucial for the success of the Neolithic Revolution. Communities became highly dynamic through the sharing of experiences and objects, while the networks that developed acted as a repository of innovations, limiting the risk of involution. PMID:25948614

  3. Mechanistic modeling of ion-exchange process chromatography of charge variants of monoclonal antibody products.

    PubMed

    Kumar, Vijesh; Leweke, Samuel; von Lieres, Eric; Rathore, Anurag S

    2015-12-24

    Ion-exchange chromatography (IEX) is universally accepted as the optimal method for achieving process scale separation of charge variants of a monoclonal antibody (mAb) therapeutic. These variants are closely related to the product and a baseline separation is rarely achieved. The general practice is to fractionate the eluate from the IEX column, analyze the fractions and then pool the desired fractions to obtain the targeted composition of variants. This is, however, a very cumbersome and time consuming exercise. A mechanistic model that is capable of simulating the peak profile will be a much more elegant and effective way to make a decision on the pooling strategy. This paper proposes a mechanistic model, based on the general rate model, to predict elution peak profile for separation of the main product from its variants. The proposed approach uses inverse fit of process scale chromatogram for estimation of model parameters using the initial values that are obtained from theoretical correlations. The packed bed column has been modeled along with the chromatographic system consisting of the mixer, tubing and detectors as a series of dispersed plug flow and continuous stirred tank reactors. The model uses loading ranges starting at 25% to a maximum of 70% of the loading capacity and hence is applicable to process scale separations. Langmuir model has been extended to include the effects of salt concentration and temperature on the model parameters. The extended Langmuir model that has been proposed uses one less parameter than the SMA model and this results in a significant ease of estimating the model parameters from inverse fitting. The proposed model has been validated with experimental data and has been shown to successfully predict peak profile for a range of load capacities (15-28mg/mL), gradient lengths (10-30CV), bed heights (6-20cm), and for three different resins with good accuracy (as measured by estimation of residuals). The model has been also

  4. Mechanistic modeling of ion-exchange process chromatography of charge variants of monoclonal antibody products.

    PubMed

    Kumar, Vijesh; Leweke, Samuel; von Lieres, Eric; Rathore, Anurag S

    2015-12-24

    Ion-exchange chromatography (IEX) is universally accepted as the optimal method for achieving process scale separation of charge variants of a monoclonal antibody (mAb) therapeutic. These variants are closely related to the product and a baseline separation is rarely achieved. The general practice is to fractionate the eluate from the IEX column, analyze the fractions and then pool the desired fractions to obtain the targeted composition of variants. This is, however, a very cumbersome and time consuming exercise. A mechanistic model that is capable of simulating the peak profile will be a much more elegant and effective way to make a decision on the pooling strategy. This paper proposes a mechanistic model, based on the general rate model, to predict elution peak profile for separation of the main product from its variants. The proposed approach uses inverse fit of process scale chromatogram for estimation of model parameters using the initial values that are obtained from theoretical correlations. The packed bed column has been modeled along with the chromatographic system consisting of the mixer, tubing and detectors as a series of dispersed plug flow and continuous stirred tank reactors. The model uses loading ranges starting at 25% to a maximum of 70% of the loading capacity and hence is applicable to process scale separations. Langmuir model has been extended to include the effects of salt concentration and temperature on the model parameters. The extended Langmuir model that has been proposed uses one less parameter than the SMA model and this results in a significant ease of estimating the model parameters from inverse fitting. The proposed model has been validated with experimental data and has been shown to successfully predict peak profile for a range of load capacities (15-28mg/mL), gradient lengths (10-30CV), bed heights (6-20cm), and for three different resins with good accuracy (as measured by estimation of residuals). The model has been also

  5. Pan-Arctic modelling of net ecosystem exchange of CO2

    PubMed Central

    Shaver, G. R.; Rastetter, E. B.; Salmon, V.; Street, L. E.; van de Weg, M. J.; Rocha, A.; van Wijk, M. T.; Williams, M.

    2013-01-01

    Net ecosystem exchange (NEE) of C varies greatly among Arctic ecosystems. Here, we show that approximately 75 per cent of this variation can be accounted for in a single regression model that predicts NEE as a function of leaf area index (LAI), air temperature and photosynthetically active radiation (PAR). The model was developed in concert with a survey of the light response of NEE in Arctic and subarctic tundras in Alaska, Greenland, Svalbard and Sweden. Model parametrizations based on data collected in one part of the Arctic can be used to predict NEE in other parts of the Arctic with accuracy similar to that of predictions based on data collected in the same site where NEE is predicted. The principal requirement for the dataset is that it should contain a sufficiently wide range of measurements of NEE at both high and low values of LAI, air temperature and PAR, to properly constrain the estimates of model parameters. Canopy N content can also be substituted for leaf area in predicting NEE, with equal or greater accuracy, but substitution of soil temperature for air temperature does not improve predictions. Overall, the results suggest a remarkable convergence in regulation of NEE in diverse ecosystem types throughout the Arctic. PMID:23836790

  6. Abundance exchange models of fish assemblages along the Hudson River Estuary Gradient, New York.

    PubMed

    Singkran, Nuanchan; Bain, Mark B

    2008-01-01

    The spatially explicit abundance exchange model (AEM) was built for four fish species: winter flounder (Pseudopleuronectes americanus), Atlantic silverside (Menidia menidia), eastern silvery minnow (Hybognathus regius), and striped bass (Morone saxatilis) along the Hudson River estuary gradient, New York. The fish and habitat data during 1974-1997 were used to develop and calibrate the AEM; and the fish data during 1998-2001 was used to validate the model. Preference indexes of fish species for dissolved oxygen, salinity, water temperature, and bottom substrates along the gradient were estimated; and these were used to compute habitat preference (HP) of the associated fish species. The species HP was a key variable in the AEM to quantify abundance and distribution patterns of the associated species along the gradient. The AEM could efficiently predict abundance and distribution patterns of all modeled species except striped bass. The model ability for predicting a local distribution range of a fish species with broad tolerance on changing environment like striped bass should be improved. PMID:19092189

  7. Stochastic modeling of fine particle deposition, resuspension, and hyporheic exchange in rivers

    NASA Astrophysics Data System (ADS)

    Packman, Aaron; Drummond, Jennifer; Aubeneau, Antoine

    2013-04-01

    Fine suspended particles are responsible for substantial flux of organic matter and contaminants in rivers. Further, microorganisms delivered from the terrestrial system or resuspended from benthic and hyporheic biofilms also propagate downstream in rivers, providing connectivity in the river microbial community. Because fine particle concentrations are often similar along the length of rivers, there has been a tendency to think that their dynamics are simple. Historically, fine suspended particles have been considered to show little interaction with streambed sediments. This is a fallacy. Recent observations have demonstrated that fine particles show complex dynamics in rivers, including ongoing deposition and resuspension. This provides substantial opportunity for interaction with benthic and hyporheic sediments and biofilms, which can lead to enhanced processing of fine particulate organic carbon, accumulation of pathogens in riverbeds, and mixing of particle-bound contaminants into bed sediments. Here I will briefly review current understanding of fine particle deposition, resuspension, and hyporheic exchange processes, develop a conceptual model for fine particle dynamics in rivers, and present a stochastic modeling framework that can represent most of these processes. I will close by discussing the limits of current modeling capability and prospects for future development of more general models.

  8. Phase diagram of a cyclic predator-prey model with neutral-pair exchange.

    PubMed

    Guisoni, Nara C; Loscar, Ernesto S; Girardi, Mauricio

    2013-08-01

    In this paper we obtain the phase diagram of a four-species predator-prey lattice model by using the proposed gradient method. We consider cyclic transitions between consecutive states, representing invasion or predation, and allowed the exchange between neighboring neutral pairs. By applying a gradient in the invasion rate parameter one can see, in the same simulation, the presence of two symmetric absorbing phases, composed by neutral pairs, and an active phase that includes all four species. In this sense, the study of a single-valued interface and its fluctuations give the critical point of the irreversible phase transition and the corresponding universality classes. Also, the consideration of a multivalued interface and its fluctuations bring the percolation threshold. We show that the model presents two lines of irreversible first-order phase transition between the two absorbing phases and the active phase. Depending on the value of the system parameters, these lines can converge into a triple point, which is the beginning of a first-order irreversible line between the two absorbing phases, or end in two critical points belonging to the directed percolation universality class. Standard simulations for some characteristic values of the parameters confirm the order of the transitions as determined by the gradient method. Besides, below the triple point the model presents two standard percolation lines in the active phase and above a first-order percolation transition as already found in other similar models.

  9. Physical properties of the Atlantic - Arctic water exchange formation. Modelling and analysis

    NASA Astrophysics Data System (ADS)

    Moshonkin, Sergey; Gusev, Anatoly; Bagno, Alexey; Zalesny, Vladimir

    2016-04-01

    Physical mechanisms of water exchange between North Atlantic (NA) and Arctic Oceans (AO) in 1958-2009 are analyzed using results of numerical experiments with the eddy-permitting ocean circulation model INMOM (Institute of Numerical Mathematics Ocean Model). Changes of heat and salt transports by West Spitsbergen and East Greenland currents caused by atmospheric forcing produce the baroclinic modes of velocity anomalies in the layer 0-300m, stabilizing ocean response on the atmospheric forcing, which stimulates keeping water exchange between NA and AO at the certain climatological level. We revealed the quick response of dense water outflow by near-bottom current in the deep NA layers through the Denmark Strait at monthly timescale on the North Atlantic oscillation (NAO) index change, as well as the response at the scale 39 months. The quick response on NAO is broken in 1969-1978, which is caused by the Great Salinity Anomaly. Transverse oscillations of the Norwegian current front have the great influence on the formation of the intermediate dense waters of Greenland and Norwegian Seas (GNS). Dense water outflow to the NA deep layers through the Faroe Channels with the time lag of 1 year respond to the transverse oscillations of the front. The mass transport of by near-bottom current through Faroe Channels to the NA can be used as the integral index of formation and discharge of new high-density water portions generated due to mixing of salt warm Atlantic waters and freshened cold Arctic waters in GNS. The research was supported by the Council on the Russian Federation President Grants (grant № MK-3241.2015.5)

  10. Air Surface Temperature Correlation with Greenhouse Gases by Using Airs Data Over Peninsular Malaysia

    NASA Astrophysics Data System (ADS)

    Rajab, Jasim Mohammed; MatJafri, M. Z.; Lim, H. S.

    2014-08-01

    The main objective of this study is to develop algorithms for calculating the air surface temperature (AST). This study also aims to analyze and investigate the effects of greenhouse gases (GHGs) on the AST value in Peninsular Malaysia. Multiple linear regression is used to achieve the objectives of the study. Peninsular Malaysia has been selected as the research area because it is among the regions of tropical Southeast Asia with the greatest humidity, pockets of heavy pollution, rapid economic growth, and industrialization. The predicted AST was highly correlated ( R = 0.783) with GHGs for the 6-year data (2003-2008). Comparisons of five stations in 2009 showed close agreement between the predicted AST and the observed AST from AIRS, especially in the wet season (within 1.3 K). The in situ data ranged from 1 to 2 K. Validation results showed that AST ( R = 0.776-0.878) has values nearly the same as the observed AST from AIRS. We found that O3 during the wet season was indicated by a strongly positive beta coefficient (0.264-0.992) with AST. The CO2 yields a reasonable relationship with temperature with low to moderate beta coefficient (-0.065 to 0.238). The O3, CO2, and environmental variables experienced different seasonal fluctuations that depend on weather conditions and topography. The concentration of gases and pollution were the highest over industrial zones and overcrowded cities, and the dry season was more polluted compared with the wet season. These results indicate the advantage of using the satellite AIRS data and a correlation analysis to investigate the effect of atmospheric GHGs on AST over Peninsular Malaysia. An algorithm that is capable of retrieving Peninsular Malaysian AST in all weather conditions with total uncertainties ranging from 1 to 2 K was developed.

  11. Model of a vanadium redox flow battery with an anion exchange membrane and a Larminie-correction

    NASA Astrophysics Data System (ADS)

    Wandschneider, F. T.; Finke, D.; Grosjean, S.; Fischer, P.; Pinkwart, K.; Tübke, J.; Nirschl, H.

    2014-12-01

    Membranes are an important part of vanadium redox flow battery cells. Most cell designs use Nafion®-type membranes which are cation exchange membranes. Anion exchange membranes are reported to improve cell performance. A model for a vanadium redox flow battery with an anion exchange membrane is developed. The model is then used to calculate terminal voltages for open circuit and charge-discharge conditions. The results are compared to measured data from a laboratory test cell with 40 cm2 active membrane area. For higher charge and discharge currents, an empirical correction for the terminal voltage is proposed. The model geometry comprises the porous electrodes and the connected pipes, allowing a study of the flow in the entrance region for different state-of-charges.

  12. A preliminary threshold model of parasitism in the Cockle Cerastoderma edule using delayed exchange of stability

    NASA Astrophysics Data System (ADS)

    O'Grady, E. A.; Culloty, S. C.; Kelly, T. C.; O'Callaghan, M. J. A.; Rachinskii, D.

    2015-02-01

    Thresholds occur, and play an important role, in the dynamics of many biological communities. In this paper, we model a persistence type threshold which has been shown experimentally to exist in hyperparasitised flukes in the cockle, a shellfish. Our model consists of a periodically driven slow-fast host-parasite system of equations for a slow flukes population (host) and a fast Unikaryon hyperparasite population (parasite). The model exhibits two branches of the critical curve crossing in a transcritical bifurcation scenario. We discuss two thresholds due to immediate and delayed exchange of stability effects; and we derive algebraic relationships for parameters of the periodic solution in the limit of the infinite ratio of the time scales. Flukes, which are the host species in our model, parasitise cockles and in turn are hyperparasitised by the microsporidian Unikaryon legeri; the life cycle of flukes includes several life stages and a number of different hosts. That is, the flukes-hyperparasite system in a cockle is, naturally, part of a larger estuarine ecosystem of interacting species involving parasites, shellfish and birds which prey on shellfish. A population dynamics model which accounts for one system of such multi-species interactions and includes the fluke-hyperparasite model in a cockle as a subsystem is presented. We provide evidence that the threshold effect we observed in the flukes-hyperparasite subsystem remains apparent in the multi-species system. Assuming that flukes damage cockles, and taking into account that the hyperparasite is detrimental to flukes, it is natural to suggest that the hyperparasitism may support the abundance of cockles and, thereby, the persistence of the estuarine ecosystem, including shellfish and birds. We confirm the possibility of the existence of this scenario in our model, at least partially, by removing the hyperparasite and demonstrating that this may result in a substantial drop in cockle numbers. The result

  13. Modelling of the Water Exchange between Shallow Groundwater and River during bank filtration and changing conditions

    NASA Astrophysics Data System (ADS)

    Wang, Weishi; Munz, Matthias; Oswald, Sascha E.

    2015-04-01

    The interaction of river water and groundwater is of importance for the hydrological cycle and water quality in rivers. Moreover, drinking water is often obtained by pumping groundwater in the direct vicinity of rivers, called bank filtration. Typically this implies a considerable dynamics, because changes in river water level and pumping activities will cause varying conditions, and in its effects modified by the local hydrogeology. Numerical modelling can be a tool to study spatial patterns and temporal changes. Often this is limited by model performance, uncertainty of geological structure and lack of sufficient observation values beyond water heads, for example water quality or temperature data. The aim of this research is to model the hydraulic conditions for transient conditions, including a period of substantial re-construction works in the river. Later this will then be used to include the temperature and other water quality data to improve the model performance. As shown from the geological information analysis, the majority of the water volume pumped is from the first and second aquifers, where a strong exchange between the river and groundwater can happen. The implementation of the geological structure is based on 7 main geological profiles and several scattered drilling wells of difference depths. A first model has been built in FEFLOW 6.2 as a steady fluid flow model, while the pilot-points auto-calibration method is used for estimating the hydraulic conductivity of different sediment types, based on water head information of 19 observation wells. Then a transient model during the year 2011-2013 is further calibrated based on estimated hydraulic conductivity. Furthermore, the observation wells are used to make a statistic analysis with the hydrograph of the river to clarify the correlation of changes in river to changes in groundwater.

  14. CO2 and O2 Gas Exchange in an Experimental Model of the Btlss with Plant Wastes and Human Wastes Included in the Mass Exchange

    NASA Astrophysics Data System (ADS)

    Ushakova, Sofya; Tikhomirov, Alexander A.; Velichko, Vladimir; Tikhomirova, Natalia; Trifonov, Sergey V.

    2016-07-01

    Mass exchange processes in the new experimental model of the biotechnical life support system (BTLSS) constructed at the Institute of Biophysics SB RAS have a higher degree of closure than in the previous BTLSS, and, thus, the technologies employed in the new system are more complex. Therefore, before closing the loops of mass exchange processes for several months, the new model of the BTLSS was run to match the technologies employed to cultivate plants and the methods used to involve inedible plant parts and human wastes into the mass exchange with the CO2 absorption rate and the amount of the resulting O2. The plant compartment included vegetables grown on the soil-like substrate (SLS) (chufa, beet, carrot, radish, and lettuce), plants hydroponically grown on expanded clay aggregate (wheat, soybean, watercress), and plants grown in aquaculture (common glasswort and watercress). Nutrient solutions for hydroponically grown plants were prepared by using products of physicochemical mineralization of human wastes. Growing the plants in aquaculture enabled maintaining NaCl concentration in the irrigation solution for hydroponically grown plants at a level safe for the plants. Inedible plant biomass was added to the SLS. Three cycles of closing the system were run, which lasted 7, 7, and 10 days. The comparison of the amount of CO2 fed into the system over 24 h (simulating human respiration) and the amount of CO2 daily exhaled by a 70-kg middle-aged human showed that between 1% and 4% of the daily emissions of CO2 were assimilated in the system, and about 3% of the average human daily O2 requirement accumulated in the system. Plant productivity was between 4 and 4.7% of the human daily vegetable requirement, or between 3 and 3.5% of the total human daily food requirement. Thus, testing of the BTLSS showed a match between the technologies employed to arrange mass exchange processes. This study was supported by the grant of the Russian Science Foundation (Project No. 14-14-00599).

  15. Application of artificial neural network models and principal component analysis method in predicting stock prices on Tehran Stock Exchange

    NASA Astrophysics Data System (ADS)

    Zahedi, Javad; Rounaghi, Mohammad Mahdi

    2015-11-01

    Stock price changes are receiving the increasing attention of investors, especially those who have long-term aims. The present study intends to assess the predictability of prices on Tehran Stock Exchange through the application of artificial neural network models and principal component analysis method and using 20 accounting variables. Finally, goodness of fit for principal component analysis has been determined through real values, and the effective factors in Tehran Stock Exchange prices have been accurately predicted and modeled in the form of a new pattern consisting of all variables.

  16. Development of an informatics infrastructure for data exchange of biomolecular simulations: architecture, data models and ontology$

    PubMed Central

    Thibault, J. C.; Roe, D. R.; Eilbeck, K.; Cheatham, T. E.; Facelli, J. C.

    2015-01-01

    Biomolecular simulations aim to simulate structure, dynamics, interactions, and energetics of complex biomolecular systems. With the recent advances in hardware, it is now possible to use more complex and accurate models, but also reach time scales that are biologically significant. Molecular simulations have become a standard tool for toxicology and pharmacology research, but organizing and sharing data – both within the same organization and among different ones – remains a substantial challenge. In this paper we review our recent work leading to the development of a comprehensive informatics infrastructure to facilitate the organization and exchange of biomolecular simulations data. Our efforts include the design of data models and dictionary tools that allow the standardization of the metadata used to describe the biomedical simulations, the development of a thesaurus and ontology for computational reasoning when searching for biomolecular simulations in distributed environments, and the development of systems based on these models to manage and share the data at a large scale (iBIOMES), and within smaller groups of researchers at laboratory scale (iBIOMES Lite), that take advantage of the standardization of the meta data used to describe biomolecular simulations. PMID:26387907

  17. Measuring and modeling air exchange rates inside taxi cabs in Los Angeles, California

    NASA Astrophysics Data System (ADS)

    Shu, Shi; Yu, Nu; Wang, Yueyan; Zhu, Yifang

    2015-12-01

    Air exchange rates (AERs) have a direct impact on traffic-related air pollutant (TRAP) levels inside vehicles. Taxi drivers are occupationally exposed to TRAP on a daily basis, yet there is limited measurement of AERs in taxi cabs. To fill this gap, AERs were quantified in 22 representative Los Angeles taxi cabs including 10 Prius, 5 Crown Victoria, 3 Camry, 3 Caravan, and 1 Uplander under realistic driving (RD) conditions. To further study the impacts of window position and ventilation settings on taxi AERs, additional tests were conducted on 14 taxis with windows closed (WC) and on the other 8 taxis with not only windows closed but also medium fan speed (WC-MFS) under outdoor air mode. Under RD conditions, the AERs in all 22 cabs had a mean of 63 h-1 with a median of 38 h-1. Similar AERs were observed under WC condition when compared to those measured under RD condition. Under WC-MFS condition, AERs were significantly increased in all taxi cabs, when compared with those measured under RD condition. A General Estimating Equation (GEE) model was developed and the modeling results showed that vehicle model was a significant factor in determining the AERs in taxi cabs under RD condition. Driving speed and car age were positively associated with AERs but not statistically significant. Overall, AERs measured in taxi cabs were much higher than typical AERs people usually encounter in indoor environments such as homes, offices, and even regular passenger vehicles.

  18. Development of an informatics infrastructure for data exchange of biomolecular simulations: Architecture, data models and ontology.

    PubMed

    Thibault, J C; Roe, D R; Eilbeck, K; Cheatham Iii, T E; Facelli, J C

    2015-01-01

    Biomolecular simulations aim to simulate structure, dynamics, interactions, and energetics of complex biomolecular systems. With the recent advances in hardware, it is now possible to use more complex and accurate models, but also reach time scales that are biologically significant. Molecular simulations have become a standard tool for toxicology and pharmacology research, but organizing and sharing data - both within the same organization and among different ones - remains a substantial challenge. In this paper we review our recent work leading to the development of a comprehensive informatics infrastructure to facilitate the organization and exchange of biomolecular simulations data. Our efforts include the design of data models and dictionary tools that allow the standardization of the metadata used to describe the biomedical simulations, the development of a thesaurus and ontology for computational reasoning when searching for biomolecular simulations in distributed environments, and the development of systems based on these models to manage and share the data at a large scale (iBIOMES), and within smaller groups of researchers at laboratory scale (iBIOMES Lite), that take advantage of the standardization of the meta data used to describe biomolecular simulations. PMID:26387907

  19. A water and heat management model for proton-exchange-membrane fuel cells

    SciTech Connect

    Nguyen, T.V.; White, R.E. . Dept. of Chemical Engineering)

    1993-08-01

    Proper water and heat management are essential for obtaining high-power-density performance at high energy efficiency for proton-exchange-membrane fuel cells. A water and heat management model was developed and used to investigate the effectiveness of various humidification designs. The model accounts for water transport across the membrane by electro-osmosis and diffusion, heat transfer from the solid phase to the gas phase and latent heat associated with water evaporation and condensation in the flow channels. Results from the model showed that at high current (> 1A/cm[sup 2]) ohmic loss in the membrane accounts for a large fraction of the voltage loss in the cell and back diffusion of water from the cathode side of the membrane is insufficient to keep the membrane hydrated (i.e., conductive). Consequently, to minimize this ohmic loss the anode stream must be humidified, and when air is used instead of pure oxygen the cathode stream must also be humidified.

  20. An analytical model and parametric study of electrical contact resistance in proton exchange membrane fuel cells

    NASA Astrophysics Data System (ADS)

    Wu, Zhiliang; Wang, Shuxin; Zhang, Lianhong; Hu, S. Jack

    This paper presents an analytical model of the electrical contact resistance between the carbon paper gas diffusion layers (GDLs) and the graphite bipolar plates (BPPs) in a proton exchange membrane (PEM) fuel cell. The model is developed based on the classical statistical contact theory for a PEM fuel cell, using the same probability distributions of the GDL structure and BPP surface profile as previously described in Wu et al. [Z. Wu, Y. Zhou, G. Lin, S. Wang, S.J. Hu, J. Power Sources 182 (2008) 265-269] and Zhou et al. [Y. Zhou, G. Lin, A.J. Shih, S.J. Hu, J. Power Sources 163 (2007) 777-783]. Results show that estimates of the contact resistance compare favorably with experimental data by Zhou et al. [Y. Zhou, G. Lin, A.J. Shih, S.J. Hu, J. Power Sources 163 (2007) 777-783]. Factors affecting the contact behavior are systematically studied using the analytical model, including the material properties of the two contact bodies and factors arising from the manufacturing processes. The transverse Young's modulus of chopped carbon fibers in the GDL and the surface profile of the BPP are found to be significant to the contact resistance. The factor study also sheds light on the manufacturing requirements of carbon fiber GDLs for a better contact performance in PEM fuel cells.

  1. Canopy development, CO(2) exchange and carbon balance of a modeled agroforestry tree.

    PubMed

    Nygren, P; Kiema, P; Rebottaro, S

    1996-09-01

    We developed a whole-canopy CO(2) exchange simulation model to study effects of pruning on the carbon balance of trees. Model inputs include global short-wave radiation, photosynthetic photon flux density (PFD), air temperature, time series of the development of canopy diameter, height and total leaf area during the simulation period and local geographical and atmospheric parameters. Canopy structure is derived stochastically from the time series of canopy development and growth functions of individual phytoelements. The PFD incident on a phytoelement is computed from the average gap frequency of the canopy and the binary random probability of sunflecks on the phytoelement. Instantaneous CO(2) assimilation rate of each phytoelement is computed from PFD and phytoelement age. Assimilation rates are integrated over space and time to estimate whole-canopy CO(2) assimilation. The model was used to study carbon balance in five sources of the leguminous agroforestry tree Erythrina poeppigiana (Walpers) O.F. Cook during two 6-month pruning intervals. The canopy description appeared to be realistic. According to the simulations, cumulative assimilation did not provide enough carbon for tree growth until two months after pruning, indicating dependence of tree growth on reserve carbohydrates. The two most productive sources, which had the most open canopies, were the most dependent on reserve carbohydrates after pruning. PMID:14871680

  2. Estimation of Bid Curves in Power Exchanges using Time-varying Simultaneous-Equations Models

    NASA Astrophysics Data System (ADS)

    Ofuji, Kenta; Yamaguchi, Nobuyuki

    Simultaneous-equations model (SEM) is generally used in economics to estimate interdependent endogenous variables such as price and quantity in a competitive, equilibrium market. In this paper, we have attempted to apply SEM to JEPX (Japan Electric Power eXchange) spot market, a single-price auction market, using the publicly available data of selling and buying bid volumes, system price and traded quantity. The aim of this analysis is to understand the magnitude of influences to the auctioned prices and quantity from the selling and buying bids, than to forecast prices and quantity for risk management purposes. In comparison with the Ordinary Least Squares (OLS) estimation where the estimation results represent average values that are independent of time, we employ a time-varying simultaneous-equations model (TV-SEM) to capture structural changes inherent in those influences, using State Space models with Kalman filter stepwise estimation. The results showed that the buying bid volumes has that highest magnitude of influences among the factors considered, exhibiting time-dependent changes, ranging as broad as about 240% of its average. The slope of the supply curve also varies across time, implying the elastic property of the supply commodity, while the demand curve remains comparatively inelastic and stable over time.

  3. Spatial assessment of atmosphere-ecosystem exchanges via micrometeorological measurements and footprint modelling over complex terrain

    NASA Astrophysics Data System (ADS)

    Zhao, Peng; Lüers, Johannes; Foken, Thomas

    2010-05-01

    process of evaporation and the NEE above farmlands in a monsoon driven climate. This information could be used to compare different approaches of surface exchange studies (e.g. chamber measurements), and will be integrated into the relating models.

  4. Mathematical modelling and reactor design for multi-cycle bioregeneration of nitrate exhausted ion exchange resin.

    PubMed

    Ebrahimi, Shelir; Roberts, Deborah J

    2016-01-01

    Nitrate contamination is one of the largest issues facing communities worldwide. One of the most common methods for nitrate removal from water is ion exchange using nitrate selective resin. Although these resins have a great capacity for nitrate removal, they are considered non regenerable. The sustainability of nitrate-contaminated water treatment processes can be achieved by regenerating the exhausted resin several times rather than replacing and incineration of exhausted resin. The use of multi-cycle exhaustion/bioregeneration of resin enclosed in a membrane has been shown to be an effective and innovative regeneration method. In this research, the mechanisms for bioregeneration of resin were studied and a mathematical model which incorporated physical desorption process with biological removal kinetics was developed. Regardless of the salt concentration of the solution, this specific resin is a pore-diffusion controlled process (XδD ¯CDr0(5+2α)<1). Also, Thiele modulus was calculated to be between 4 and 12 depending on the temperature and salt concentration. High Thiele modulus (>3) shows that the bioregeneration process is controlled by reaction kinetics and is governed by biological removal of nitrate. The model was validated by comparison to experimental data; the average of R-squared values for cycle 1 to 5 of regeneration was 0.94 ± 0.06 which shows that the developed model predicted the experimental results very well. The model sensitivity for different parameters was evaluated and a model bioreactor design for bioregeneration of highly selective resins was also presented. PMID:26595098

  5. Mathematical modelling and reactor design for multi-cycle bioregeneration of nitrate exhausted ion exchange resin.

    PubMed

    Ebrahimi, Shelir; Roberts, Deborah J

    2016-01-01

    Nitrate contamination is one of the largest issues facing communities worldwide. One of the most common methods for nitrate removal from water is ion exchange using nitrate selective resin. Although these resins have a great capacity for nitrate removal, they are considered non regenerable. The sustainability of nitrate-contaminated water treatment processes can be achieved by regenerating the exhausted resin several times rather than replacing and incineration of exhausted resin. The use of multi-cycle exhaustion/bioregeneration of resin enclosed in a membrane has been shown to be an effective and innovative regeneration method. In this research, the mechanisms for bioregeneration of resin were studied and a mathematical model which incorporated physical desorption process with biological removal kinetics was developed. Regardless of the salt concentration of the solution, this specific resin is a pore-diffusion controlled process (XδD ¯CDr0(5+2α)<1). Also, Thiele modulus was calculated to be between 4 and 12 depending on the temperature and salt concentration. High Thiele modulus (>3) shows that the bioregeneration process is controlled by reaction kinetics and is governed by biological removal of nitrate. The model was validated by comparison to experimental data; the average of R-squared values for cycle 1 to 5 of regeneration was 0.94 ± 0.06 which shows that the developed model predicted the experimental results very well. The model sensitivity for different parameters was evaluated and a model bioreactor design for bioregeneration of highly selective resins was also presented.

  6. Simulating carbon exchange using a regional atmospheric model coupled to an advanced land-surface model

    NASA Astrophysics Data System (ADS)

    Ter Maat, H. W.; Hutjes, R. W. A.; Miglietta, F.; Gioli, B.; Bosveld, F. C.; Vermeulen, A. T.; Fritsch, H.

    2010-08-01

    This paper is a case study to investigate what the main controlling factors are that determine atmospheric carbon dioxide content for a region in the centre of The Netherlands. We use the Regional Atmospheric Modelling System (RAMS), coupled with a land surface scheme simulating carbon, heat and momentum fluxes (SWAPS-C), and including also submodels for urban and marine fluxes, which in principle should include the dominant mechanisms and should be able to capture the relevant dynamics of the system. To validate the model, observations are used that were taken during an intensive observational campaign in central Netherlands in summer 2002. These include flux-tower observations and aircraft observations of vertical profiles and spatial fluxes of various variables. The simulations performed with the coupled regional model (RAMS-SWAPS-C) are in good qualitative agreement with the observations. The station validation of the model demonstrates that the incoming shortwave radiation and surface fluxes of water and CO2 are well simulated. The comparison against aircraft data shows that the regional meteorology (i.e. wind, temperature) is captured well by the model. Comparing spatially explicitly simulated fluxes with aircraft observed fluxes we conclude that in general latent heat fluxes are underestimated by the model compared to the observations but that the latter exhibit large variability within all flights. Sensitivity experiments demonstrate the relevance of the urban emissions of carbon dioxide for the carbon balance in this particular region. The same tests also show the relation between uncertainties in surface fluxes and those in atmospheric concentrations.

  7. Modeling a Printed Circuit Heat Exchanger with RELAP5-3D for the Next Generation Nuclear Plant

    SciTech Connect

    Not Available

    2010-12-01

    The main purpose of this report is to design a printed circuit heat exchanger (PCHE) for the Next Generation Nuclear Plant and carry out Loss of Coolant Accident (LOCA) simulation using RELAP5-3D. Helium was chosen as the coolant in the primary and secondary sides of the heat exchanger. The design of PCHE is critical for the LOCA simulations. For purposes of simplicity, a straight channel configuration was assumed. A parallel intermediate heat exchanger configuration was assumed for the RELAP5 model design. The RELAP5 modeling also required the semicircular channels in the heat exchanger to be mapped to rectangular channels. The initial RELAP5 run outputs steady state conditions which were then compared to the heat exchanger performance theory to ensure accurate design is being simulated. An exponential loss of pressure transient was simulated. This LOCA describes a loss of coolant pressure in the primary side over a 20 second time period. The results for the simulation indicate that heat is initially transferred from the primary loop to the secondary loop, but after the loss of pressure occurs, heat transfers from the secondary loop to the primary loop.

  8. Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation

    NASA Astrophysics Data System (ADS)

    Wellendorff, Jess; Lundgaard, Keld T.; Møgelhøj, Andreas; Petzold, Vivien; Landis, David D.; Nørskov, Jens K.; Bligaard, Thomas; Jacobsen, Karsten W.

    2012-06-01

    A methodology for semiempirical density functional optimization, using regularization and cross-validation methods from machine learning, is developed. We demonstrate that such methods enable well-behaved exchange-correlation approximations in very flexible model spaces, thus avoiding the overfitting found when standard least-squares methods are applied to high-order polynomial expansions. A general-purpose density functional for surface science and catalysis studies should accurately describe bond breaking and formation in chemistry, solid state physics, and surface chemistry, and should preferably also include van der Waals dispersion interactions. Such a functional necessarily compromises between describing fundamentally different types of interactions, making transferability of the density functional approximation a key issue. We investigate this trade-off between describing the energetics of intramolecular and intermolecular, bulk solid, and surface chemical bonding, and the developed optimization method explicitly handles making the compromise based on the directions in model space favored by different materials properties. The approach is applied to designing the Bayesian error estimation functional with van der Waals correlation (BEEF-vdW), a semilocal approximation with an additional nonlocal correlation term. Furthermore, an ensemble of functionals around BEEF-vdW comes out naturally, offering an estimate of the computational error. An extensive assessment on a range of data sets validates the applicability of BEEF-vdW to studies in chemistry and condensed matter physics. Applications of the approximation and its Bayesian ensemble error estimate to two intricate surface science problems support this.

  9. Modeling coupled thermal-mechanical processes of frozen soil induced by borehole heat exchanger

    NASA Astrophysics Data System (ADS)

    Shao, H.

    2015-12-01

    To utilize the shallow geothermal energy, heat pumps are often coupled with Borehole Heat Exchangers (BHE) to provide heating and cooling for buildings. In cold regions, soil freezing around the BHE is a potential problem which will dramatically influence the underground soil temperature distribution, subsequently the inlet and outlet refrigerant temperature of the BHE, and finally the efficiency of the heat pump. In this study, a numerical model has been developed to simulate the coupled temperature evolution both inside the BHE, and the propagating freezing front in the surrounding soil. The coupled model was validated against analytical solutions and experimental data. The influence of the freezing process on the overall system performance is investigated by comparing one long BHE configuration without freezing and another short one with latent heat from the frozen groundwater. It is found that when freezing happens, the coefficient of performance (COP) of the heat pump will decrease by around 0.5, leading to more electricity consumption. Furthermore, analysis of the simulation result reveals that the exploitation of latent heat through groundwater freezing is only economically attractive if electricity price is low and interest rate high, and it is not the case is most European countries.

  10. A Distributed Model of Oilseed Biorefining, via Integrated Industrial Ecology Exchanges

    NASA Astrophysics Data System (ADS)

    Ferrell, Jeremy C.

    As the demand for direct petroleum substitutes increases, biorefineries are poised to become centers for conversion of biomass into fuels, energy, and biomaterials. A distributed model offers reduced transportation, tailored process technology to available feedstock, and increased local resilience. Oilseeds are capable of producing a wide variety of useful products additive to food, feed, and fuel needs. Biodiesel manufacturing technology lends itself to smaller-scale distributed facilities able to process diverse feedstocks and meet demand of critical diesel fuel for basic municipal services, safety, sanitation, infrastructure repair, and food production. Integrating biodiesel refining facilities as tenants of eco-industrial parks presents a novel approach for synergistic energy and material exchanges whereby environmental and economic metrics can be significantly improved upon compared to stand alone models. This research is based on the Catawba County NC EcoComplex and the oilseed crushing and biodiesel processing facilities (capacity-433 tons biodiesel per year) located within. Technical and environmental analyses of the biorefinery components as well as agronomic and economic models are presented. The life cycle assessment for the two optimal biodiesel feedstocks, soybeans and used cooking oil, resulted in fossil energy ratios of 7.19 and 12.1 with carbon intensity values of 12.51 gCO2-eq/MJ and 7.93 gCO2-eq/MJ, respectively within the industrial ecology system. Economic modeling resulted in a biodiesel conversion cost of 1.43 per liter of fuel produced with used cooking oil, requiring a subsidy of 0.58 per liter to reach the break-even point. As subsidies continue significant fluctuation, metrics other than operating costs are required to justify small-scale biofuel projects.

  11. Review of Air Exchange Rate Models for Air Pollution Exposure Assessments

    EPA Science Inventory

    A critical aspect of air pollution exposure assessments is estimation of the air exchange rate (AER) for various buildings, where people spend their time. The AER, which is rate the exchange of indoor air with outdoor air, is an important determinant for entry of outdoor air pol...

  12. Modeling of Crystalline Silicotitanate Ion Exchange Columns Using Experimental Data from SRS Simulated Waste

    SciTech Connect

    Walker, D.D.

    1999-03-15

    Non-elutable ion exchange using crystalline silicotitanate is being considered for removing cesium from Savannah River Site radioactive waste. The construction cost of this process depends strongly on the size of the ion exchange column required to meet product specifications.

  13. The Simulation of the Opposing Fluxes of Latent Heat and CO2 over Various Land-Use Types: Coupling a Gas Exchange Model to a Mesoscale Atmospheric Model

    NASA Astrophysics Data System (ADS)

    Reyers, Mark; Krüger, Andreas; Werner, Christiane; Pinto, Joaquim G.; Zacharias, Stefan; Kerschgens, Michael

    2011-04-01

    A mesoscale meteorological model (FOOT3DK) is coupled with a gas exchange model to simulate surface fluxes of CO2 and H2O under field conditions. The gas exchange model consists of a C3 single leaf photosynthesis sub-model and an extended big leaf (sun/shade) sub-model that divides the canopy into sunlit and shaded fractions. Simulated CO2 fluxes of the stand-alone version of the gas exchange model correspond well to eddy-covariance measurements at a test site in a rural area in the west of Germany. The coupled FOOT3DK/gas exchange model is validated for the diurnal cycle at singular grid points, and delivers realistic fluxes with respect to their order of magnitude and to the general daily course. Compared to the Jarvis-based big leaf scheme, simulations of latent heat fluxes with a photosynthesis-based scheme for stomatal conductance are more realistic. As expected, flux averages are strongly influenced by the underlying land cover. While the simulated net ecosystem exchange is highly correlated with leaf area index, this correlation is much weaker for the latent heat flux. Photosynthetic CO2 uptake is associated with transpirational water loss via the stomata, and the resulting opposing surface fluxes of CO2 and H2O are reproduced with the model approach. Over vegetated surfaces it is shown that the coupling of a photosynthesis-based gas exchange model with the land-surface scheme of a mesoscale model results in more realistic simulated latent heat fluxes.

  14. Impacts of differing aerodynamic resistance formulae on modeled energy exchange at the above-canopy/within-canopy/soil interface

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Application of the Two-Source Energy Balance (TSEB) Model using land surface temperature (LST) requires aerodynamic resistance parameterizations for the flux exchange above the canopy layer, within the canopy air space and at the soil/substrate surface. There are a number of aerodynamic resistance f...

  15. Modelling spatial and temporal variability of surface water-groundwater heat exchange along a lowland river reach

    NASA Astrophysics Data System (ADS)

    Munz, M.; Schmidt, C.; Fleckenstein, J. H.; Oswald, S. E.

    2012-12-01

    The surface water-groundwater (SFW-GW) heat balance is an important factor controlling most hydroecological and biogeochemical processes. It significantly influences habitat conditions due to the limited temperature tolerance of most aquatic species, regulates microbial activity and controls reaction kinetics. Variations of SFW-GW temperature in space and time result from (1) daily temperature variations due to radiative fluxes warming and cooling surface waters; (2) seasonal groundwater temperature changes; (3) occasionally occurring heat inputs due to precipitation and (4) the variability of SFW-GW water heat exchange processes. These processes have been investigated at a 100 m long reach of the smallish Selke River, Germany. The experimental investigation includes continuous measurement of hydraulic heads and temperatures at different depths in the stream bank and within the stream. Additionally streambed temperatures are observed along a mid-stream gravel bar and within flat parts of the stream channel using a multi-level temperature survey. The evaluation of the experimental data will show the propagation of the temperature signal through the mid-stream gravel bar, highlighting general heat exchange and transport processes. HydroGeoSphere -a fully-integrated surface-subsurface flow and transport model, capable of assessing the thermal energy transport in a holistic manner- was used to simulate SFW-GW heat exchange and subsurface temperature distribution of the study side including all relevant heat transport processes. The results of the 3-D numerical model shall clarify the spatial and temporal variability of SFW-GW heat exchange and distinctive temperature patterns at the experimental site. Furthermore, we will present a detailed sensitivity analysis of the SFW-GW heat exchange fluxes to radiative, hydraulic and thermal parameters. The use of heat as an environmental tracer, the experimental design and data analysis in combination with numerical modeling

  16. Spatially distributed modelling of surface water-groundwater exchanges during overbank flood events - a case study at the Garonne River

    NASA Astrophysics Data System (ADS)

    Bernard-Jannin, Léonard; Brito, David; Sun, Xiaoling; Jauch, Eduardo; Neves, Ramiro; Sauvage, Sabine; Sánchez-Pérez, José-Miguel

    2016-08-01

    Exchanges between surface water (SW) and groundwater (GW) are of considerable importance to floodplain ecosystems and biogeochemical cycles. Flood events in particular are important for riparian water budget and element exchanges and processing. However SW-GW exchanges present complex spatial and temporal patterns and modelling can provide useful knowledge about the processes involved at the scale of the reach and its adjacent floodplain. This study used a physically-based, spatially-distributed modelling approach for studying SW-GW exchanges. The modelling in this study is based on the MOHID Land model, combining the modelling of surface water flow in 2D with the Saint-Venant equation and the modelling of unsaturated groundwater flow in 3D with the Richards' equation. Overbank flow during floods was also integrated, as well as water exchanges between the two domains across the entire floodplain. Conservative transport simulations were also performed to study and validate the simulation of the mixing between surface water and groundwater. The model was applied to the well-monitored study site of Monbéqui (6.6 km²) in the Garonne floodplain (south-west France) for a five-month period and was able to represent the hydrology of the study area. Infiltration (SW to GW) and exfiltration (SW to GW) were characterised over the five-month period. Results showed that infiltration and exfiltration exhibited strong spatiotemporal variations, and infiltration from overbank flow accounted for 88% of the total simulated infiltration, corresponding to large flood periods. The results confirmed that overbank flood events played a determinant role in floodplain water budget and SW-GW exchanges compared to smaller (below bankfull) flood events. The impact of floods on water budget appeared to be similar for flood events exceeding a threshold corresponding to the five-year return period event due to the study area's topography. Simulation of overbank flow during flood events was an

  17. Cyclic exchanges and level of coupling between environmental media: intermedia feedback in multimedia fate models.

    PubMed

    Margni, M; Pennington, D W; Bennett, D H; Jolliet, O

    2004-10-15

    The importance of cyclic transport of chemicals between media in the environment can be expressed in terms of the Feedback correction factor--a multiplier that accounts for the fraction of an emission that returns to the medium of release after transfer to other media. This factor is calculated analytically by explicitly solving the appropriate system of mass balance equations or using matrix techniques. It generalizes the concept of stickiness, the ratio between the net and the overall deposition rate constants, to multipathway feedback, while providing a clearer view of the level of coupling between media and analyzing the importance of coupling. This paper first shows the usefulness of the total removal rate coefficient in each media (sum of degradation rate and all intermedia transfer rates) as a baseline to determine the chemical mass in different media, the characteristic travel distance and to understand the cyclic behavior, rather than starting from the degradation lifetimes or the overall persistence in the environment. Starting from this baseline, the importance of feedback is limited for most organic chemicals. The predicted media concentrations are influenced by less than 10% due to the cyclic nature of the intermedia transport for more than 90% of the 317 tested chemicals in a 4-compartment, steady-state, closed-system multimedia model. The Feedback correction factor is always less than a factor of 5 with the greatest values when transfer fractions are important in both directions for adjacent media. This corresponds to a restricted range in the K(AW) and K(OA) space with long chemical lifetimes in both adjacent media. This analysis of the importance of the Feedback correction factor, in conjunction with resultant criteria for when cyclic exchanges between media are likely to be significant, facilitates a more transparent understanding of how substance masses are distributed in the modeled system. It is one of the important criteria to determine to

  18. Benefits to the Simulation Training Community of a New ANSI Standard for the Exchange of Aero Simulation Models

    NASA Technical Reports Server (NTRS)

    Hildreth, Bruce L.; Jackson, E. Bruce

    2009-01-01

    The American Institute of Aeronautics Astronautics (AIAA) Modeling and Simulation Technical Committee is in final preparation of a new standard for the exchange of flight dynamics models. The standard will become an ANSI standard and is under consideration for submission to ISO for acceptance by the international community. The standard has some a spects that should provide benefits to the simulation training community. Use of the new standard by the training simulation community will reduce development, maintenance and technical refresh investment on each device. Furthermore, it will significantly lower the cost of performing model updates to improve fidelity or expand the envelope of the training device. Higher flight fidelity should result in better transfer of training, a direct benefit to the pilots under instruction. Costs of adopting the standard are minimal and should be paid back within the cost of the first use for that training device. The standard achie ves these advantages by making it easier to update the aerodynamic model. It provides a standard format for the model in a custom eXtensible Markup Language (XML) grammar, the Dynamic Aerospace Vehicle Exchange Markup Language (DAVE-ML). It employs an existing XML grammar, MathML, to describe the aerodynamic model in an input data file, eliminating the requirement for actual software compilation. The major components of the aero model become simply an input data file, and updates are simply new XML input files. It includes naming and axis system conventions to further simplify the exchange of information.

  19. A Mass Computation Model for Lightweight Brayton Cycle Regenerator Heat Exchangers

    NASA Technical Reports Server (NTRS)

    Juhasz, Albert J.

    2010-01-01

    Based on a theoretical analysis of convective heat transfer across large internal surface areas, this paper discusses the design implications for generating lightweight gas-gas heat exchanger designs by packaging such areas into compact three-dimensional shapes. Allowances are made for hot and cold inlet and outlet headers for assembly of completed regenerator (or recuperator) heat exchanger units into closed cycle gas turbine flow ducting. Surface area and resulting volume and mass requirements are computed for a range of heat exchanger effectiveness values and internal heat transfer coefficients. Benefit cost curves show the effect of increasing heat exchanger effectiveness on Brayton cycle thermodynamic efficiency on the plus side, while also illustrating the cost in heat exchanger required surface area, volume, and mass requirements as effectiveness is increased. The equations derived for counterflow and crossflow configurations show that as effectiveness values approach unity, or 100 percent, the required surface area, and hence heat exchanger volume and mass tend toward infinity, since the implication is that heat is transferred at a zero temperature difference. To verify the dimensional accuracy of the regenerator mass computational procedure, calculation of a regenerator specific mass, that is, heat exchanger weight per unit working fluid mass flow, is performed in both English and SI units. Identical numerical values for the specific mass parameter, whether expressed in lb/(lb/sec) or kg/ (kg/sec), show the dimensional consistency of overall results.

  20. A Mass Computation Model for Lightweight Brayton Cycle Regenerator Heat Exchangers

    NASA Technical Reports Server (NTRS)

    Juhasz, Albert J.

    2010-01-01

    Based on a theoretical analysis of convective heat transfer across large internal surface areas, this paper discusses the design implications for generating lightweight gas-gas heat exchanger designs by packaging such areas into compact three-dimensional shapes. Allowances are made for hot and cold inlet and outlet headers for assembly of completed regenerator (or recuperator) heat exchanger units into closed cycle gas turbine flow ducting. Surface area and resulting volume and mass requirements are computed for a range of heat exchanger effectiveness values and internal heat transfer coefficients. Benefit cost curves show the effect of increasing heat exchanger effectiveness on Brayton cycle thermodynamic efficiency on the plus side, while also illustrating the cost in heat exchanger required surface area, volume, and mass requirements as effectiveness is increased. The equations derived for counterflow and crossflow configurations show that as effectiveness values approach unity, or 100 percent, the required surface area, and hence heat exchanger volume and mass tend toward infinity, since the implication is that heat is transferred at a zero temperature difference. To verify the dimensional accuracy of the regenerator mass computational procedure, calculation of a regenerator specific mass, that is, heat exchanger weight per unit working fluid mass flow, is performed in both English and SI units. Identical numerical values for the specific mass parameter, whether expressed in lb/(lb/sec) or kg/(kg/sec), show the dimensional consistency of overall results.

  1. In vivo assessment of behavioral recovery and circulatory exchange in the peritoneal parabiosis model.

    PubMed

    Castellano, Joseph M; Palner, Mikael; Li, Shi-Bin; Freeman, G Mark; Nguyen, Andy; Shen, Bin; Stan, Trisha; Mosher, Kira I; Chin, Frederick T; de Lecea, Luis; Luo, Jian; Wyss-Coray, Tony

    2016-01-01

    The sharing of circulation between two animals using a surgical procedure known as parabiosis has created a wealth of information towards our understanding of physiology, most recently in the neuroscience arena. The systemic milieu is a complex reservoir of tissues, immune cells, and circulating molecules that is surprisingly not well understood in terms of its communication across organ systems. While the model has been used to probe complex physiological questions for many years, critical parameters of recovery and exchange kinetics remain incompletely characterized, limiting the ability to design experiments and interpret results for complex questions. Here we provide evidence that mice joined by parabiosis gradually recover much physiology relevant to the study of brain function. Specifically, we describe the timecourse for a variety of recovery parameters, including those for general health and metabolism, motor coordination, activity, and sleep behavior. Finally, we describe the kinetics of chimerism for several lymphocyte populations as well as the uptake of small molecules into the brains of mice following parabiosis. Our characterization provides an important resource to those attempting to understand the complex interplay between the immune system and the brain as well as other organ systems. PMID:27364522

  2. In vivo assessment of behavioral recovery and circulatory exchange in the peritoneal parabiosis model

    PubMed Central

    Castellano, Joseph M.; Palner, Mikael; Li, Shi-Bin; Freeman, G. Mark; Nguyen, Andy; Shen, Bin; Stan, Trisha; Mosher, Kira I.; Chin, Frederick T.; de Lecea, Luis; Luo, Jian; Wyss-Coray, Tony

    2016-01-01

    The sharing of circulation between two animals using a surgical procedure known as parabiosis has created a wealth of information towards our understanding of physiology, most recently in the neuroscience arena. The systemic milieu is a complex reservoir of tissues, immune cells, and circulating molecules that is surprisingly not well understood in terms of its communication across organ systems. While the model has been used to probe complex physiological questions for many years, critical parameters of recovery and exchange kinetics remain incompletely characterized, limiting the ability to design experiments and interpret results for complex questions. Here we provide evidence that mice joined by parabiosis gradually recover much physiology relevant to the study of brain function. Specifically, we describe the timecourse for a variety of recovery parameters, including those for general health and metabolism, motor coordination, activity, and sleep behavior. Finally, we describe the kinetics of chimerism for several lymphocyte populations as well as the uptake of small molecules into the brains of mice following parabiosis. Our characterization provides an important resource to those attempting to understand the complex interplay between the immune system and the brain as well as other organ systems. PMID:27364522

  3. CFD Modeling of Sodium-Oxide Deposition in Sodium-Cooled Fast Reactor Compact Heat Exchangers

    SciTech Connect

    Tatli, Emre; Ferroni, Paolo; Mazzoccoli, Jason

    2015-09-02

    The possible use of compact heat exchangers (HXs) in sodium-cooled fast reactors (SFR) employing a Brayton cycle is promising due to their high power density and resulting small volume in comparison with conventional shell-and-tube HXs. However, the small diameter of their channels makes them more susceptible to plugging due to Na2O deposition during accident conditions. Although cold traps are designed to reduce oxygen impurity levels in the sodium coolant, their failure, in conjunction with accidental air ingress into the sodium boundary, could result in coolant oxygen levels that are above the saturation limit in the cooler parts of the HX channels. This can result in Na2O crystallization and the formation of solid deposits on cooled channel surfaces, limiting or even blocking coolant flow. The development of analysis tools capable of modeling the formation of these deposits in the presence of sodium flow will allow designers of SFRs to properly size the HX channels so that, in the scenario mentioned above, the reactor operator has sufficient time to detect and react to the affected HX. Until now, analytical methodologies to predict the formation of these deposits have been developed, but never implemented in a high-fidelity computational tool suited to modern reactor design techniques. This paper summarizes the challenges and the current status in the development of a Computational Fluid Dynamics (CFD) methodology to predict deposit formation, with particular emphasis on sensitivity studies on some parameters affecting deposition.

  4. Proton Exchange Membrane Fuel Cell Engineering Model Powerplant. Test Report: Benchmark Tests in Three Spatial Orientations

    NASA Technical Reports Server (NTRS)

    Loyselle, Patricia; Prokopius, Kevin

    2011-01-01

    Proton exchange membrane (PEM) fuel cell technology is the leading candidate to replace the aging alkaline fuel cell technology, currently used on the Shuttle, for future space missions. This test effort marks the final phase of a 5-yr development program that began under the Second Generation Reusable Launch Vehicle (RLV) Program, transitioned into the Next Generation Launch Technologies (NGLT) Program, and continued under Constellation Systems in the Exploration Technology Development Program. Initially, the engineering model (EM) powerplant was evaluated with respect to its performance as compared to acceptance tests carried out at the manufacturer. This was to determine the sensitivity of the powerplant performance to changes in test environment. In addition, a series of tests were performed with the powerplant in the original standard orientation. This report details the continuing EM benchmark test results in three spatial orientations as well as extended duration testing in the mission profile test. The results from these tests verify the applicability of PEM fuel cells for future NASA missions. The specifics of these different tests are described in the following sections.

  5. Preliminary Ion Exchange Modeling for Removal of Cesium from Hanford Waste Using Hydrous Crystalline Silicotitanate Material

    SciTech Connect

    HAMM, LUTHER L.

    2004-07-27

    For the current pretreatment facility design of the River Protection Project (RPP) Waste Treatment Plant (WTP), the removal of cesium from low activity waste (LAW) is achieved by ion-exchange technology based on SuperLig(R) 644 resin. Due to recent concerns over potential radiological and chemical degradation of SuperLig(R) 644 resin and increased pressure drops observed during pilot-scale column studies, an increased interest in developing a potential backup ion-exchanger material has resulted. Ideally, a backup ion-exchanger material would replace the SuperLig(R) 644 resin and have no other major impacts on the pretreatment facility flowsheet. Such an ideal exchanger has not been identified to date. However, Crystalline Silicotitanate (CST) ion-exchanger materials have been studied for the removal of cesium from a variety of DOE wastes over the last decade. CST ion-exchanger materials demonstrate a high affinity for cesium under high alkalinity conditions and have been under investigation for cesium removal specifically at Hanford and SRS during the last six years. Since CST is an inorganic based material (with excellent properties in regard to chemical, radiological, and thermal stability) that is considered to be practically non-elutable (while SuperLig(R) 644 is an organic based elutable resin), the overall pretreatment facility flowsheet would be impacted in various ways. However, the CST material is still being considered as a potential backup ion-exchanger material. The performance of a proposed backup ion-exchange column using IONSIV IE-911 (CST in its engineered-form) material for the removal of cesium from Hanford high level radioactive alkaline waste is discussed. This report focuses attention on the ion-exchange aspects and addresses the loading phase of the process cycle.

  6. Modelling spatial and temporal variability of surface water-groundwater fluxes and heat exchange along a lowland river reach

    NASA Astrophysics Data System (ADS)

    Munz, Matthias; Schmidt, Christian; Fleckenstein, Jan; Oswald, Sascha

    2013-04-01

    In this study we used the deterministic, fully-integrated surface-subsurface flow and heat transport model (HydroGeoSphere) to investigate the spatial and temporal variability of surface water-groundwater (SFW-GW) interaction along a lowland river reach. The model incorporates the hydrological as well as the heat transport processes including (1) radiative fluxes warming and cooling the surface water; (2) seasonal groundwater temperature changes; (3) occasionally occurring heat inputs due to precipitation and (4) highly variable SFW-GW water advective heat exchange driven by the general relation between SFW and GW hydraulic heads and geomorphological structure of the riverbed. The study area is a 100 m long lowland river reach of the Selke river, at the boundary of the Harz mountains characterized by distinctive gravel bars. Continuous time series of hydraulic heads and temperatures at different depth in the river bank, the hyporheic zone and within the river are used to define the boundary conditions, to calibrate and to validate the numerical model. The 3D modelling results show that the water and heat exchange at the SFW-GW interface is highly variable in space with zones of daily temperature oscillations penetrating deep into the sediment and spots of daily constant temperature following the average GW temperature. To increase the understanding of evolving pattern, the observed temperature variations in space and time will be linked to dominant stream flow conditions, streambed morphology, advective and conductive heat exchange between SFW and GW and subsurface solute residence times. This study allows to analyse and quantify water and heat fluxes at the SFW-GW interface, to trace subsurface flow paths within the streambed sediments and thus improves the understanding of hyporheic zone exchange mechanisms. It is a sound basis for investigating quantitatively variations of sediment properties, boundary conditions and streambed morphology and also for subsequent

  7. Three layer functional model and energy exchange concept of aging process

    PubMed Central

    Mihajlovic, William

    2006-01-01

    Relying on a certain degree of abstraction, we can propose that no particular distinction exists between animate or living matter and inanimate matter. While focusing attention on some specifics, the dividing line between the two can be drawn. The most apparent distinction is in the level of structural and functional organization with the dissimilar streams of ‘energy flow’ between the observed entity and the surrounding environment. In essence, living matter is created from inanimate matter which is organized to contain internal intense energy processes and maintain lower intensity energy exchange processes with the environment. Taking internal and external energy processes into account, we contend in this paper that living matter can be referred to as matter of dissipative structure, with this structure assumed to be a common quality of all living creatures and living matter in general. Interruption of internal energy conversion processes and terminating the controlled energy exchange with the environment leads to degeneration of dissipative structure and reduction of the same to inanimate matter, (gas, liquid and/or solid inanimate substances), and ultimately what can be called ‘death.’ This concept of what we call dissipative nature can be extended from living organisms to social groups of animals, to mankind. An analogy based on the organization of matter provides a basis for a functional model of living entities. The models relies on the parallels among the three central structures of any cell (nucleus, cytoplasm and outer membrane) and the human body (central organs, body fluids along with the connective tissues, and external skin integument). This three-part structural organization may be observed almost universally in nature. It can be observed from the atomic structure to the planetary and intergalactic organizations. This similarity is corroborated by the membrane theory applied to living organisms. According to the energy nature of living matter

  8. Spectral Modeling of the Charge-exchange X-Ray Emission from M82

    NASA Astrophysics Data System (ADS)

    Zhang, Shuinai; Wang, Q. Daniel; Ji, Li; Smith, Randall K.; Foster, Adam R.; Zhou, Xin

    2014-10-01

    It has been proposed that the charge-exchange (CX) process at the interface between hot and cool interstellar gases could contribute significantly to the observed soft X-ray emission in star-forming galaxies. We analyze the XMM-Newton/reflection grating spectrometer (RGS) spectrum of M82 using a newly developed CX model combined with a single-temperature thermal plasma to characterize the volume-filling hot gas. The CX process is largely responsible for not only the strongly enhanced forbidden lines of the Kα triplets of various He-like ions but also good fractions of the Lyα transitions of C VI (~87%), O VIII, and N VII (gsim50%) as well. In total about a quarter of the X-ray flux in the RGS 6-30 Å band originates in the CX. We infer an ion incident rate of 3 × 1051 s-1 undergoing CX at the hot and cool gas interface and an effective area of the interface of ~2 × 1045 cm2 that is one order of magnitude larger than the cross section of the global biconic outflow. With the CX contribution accounted for, the best-fit temperature of the hot gas is 0.6 keV, and the metal abundances are approximately solar. We further show that the same CX/thermal plasma model also gives an excellent description of the EPIC-pn spectrum of the outflow Cap, projected at 11.6 kpc away from the galactic disk of M82. This analysis demonstrates that the CX is potentially an important contributor to the X-ray emission from starburst galaxies and also an invaluable tool to probe the interface astrophysics.

  9. Thermal Energy Exchange Model and Water Loss of a Barrel Cactus, Ferocactus acanthodes1

    PubMed Central

    Lewis, Donald A.; Nobel, Park S.

    1977-01-01

    The influences of various diurnal stomatal opening patterns, spines, and ribs on the stem surface temperature and water economy of a CAM succulent, the barrel cactus Ferocactus acanthodes, were examined using an energy budget model. To incorporate energy exchanges by shortwave and longwave irradiation, latent heat, conduction, and convection as well as the heat storage in the massive stem, the plant was subdivided into over 100 internal and external regions in the model. This enabled the average surface temperature to be predicted within 1 C of the measured temperature for both winter and summer days. Reducing the stem water vapor conductance from the values observed in the field to zero caused the average daily stem surface temperature to increase only 0.7 C for a winter day and 0.3 C for a summer day. Thus, latent heat loss does not substantially reduce stem temperature. Although the surface temperatures averaged 18 C warmer for the summer day than for the winter day for a plant 41 cm tall, the temperature dependence of stomatal opening caused the simulated nighttime water loss rates to be about the same for the 2 days. Spines moderated the amplitude of the diurnal temperature changes of the stem surface, since the daily variation was 17 C for the winter day and 25 C for the summer day with spines compared with 23 C and 41 C, respectively, in their simulated absence. Ribs reduced the daytime temperature rise by providing 54% more area for convective heat loss than for a smooth circumscribing surface. In a simulation where both spines and ribs were eliminated, the daytime average surface temperature rose by 5 C. PMID:16660148

  10. Sorption mechanism and predictive models for removal of cationic organic contaminants by cation exchange resins.

    PubMed

    Jadbabaei, Nastaran; Zhang, Huichun

    2014-12-16

    Understanding the sorption mechanism of organic contaminants on cation exchange resins (CXRs) will enable application of these resins for the removal of cationic organic compounds from contaminated water. In this study, sorption of a diverse set of 12 organic cations and 8 neutral aromatic solutes on two polystyrene CXRs, MN500 and Amberlite 200, was examined. MN500 showed higher sorbed concentrations due to its microporous structure. The sorbed concentrations followed the same trend of aromatic cations > aliphatic cations > neutral solutes for both resins. Generally, solute-solvent interactions, nonpolar moiety of the solutes, and resin matrix can affect selectivity of the cations. Sorbed concentrations of the neutral compounds were significantly less than those of the cations, indicating a combined effect of electrostatic and nonelectrostatic interactions. By conducting multiple linear regression between Gibbs free energy of sorption and Abraham descriptors for all 20 compounds, polarity/polarizability (S), H-bond acidity (A), induced dipole (E), and electrostatic (J(+)) interactions were found to be involved in the sorption of the cations by the resins. After converting the aqueous sorption isotherms to sorption from the ideal gas-phase by water-wet resins, a more significant effect of J(+) was observed. Predictive models were then developed based on the linear regressions and validated by accurately estimating the sorption of different test set compounds with a root-mean-square error range of 0.91-1.1 and 0.76-0.85 for MN500 and Amberlite 200, respectively. The models also accurately predicted sorption behavior of aniline and imidazole between pH 3 and 10. PMID:25409479

  11. Modeling water exchange between Baltimore Harbor and Chesapeake Bay using artificial tracers: seasonal variations.

    PubMed

    Hong, Bo; Panday, Nauth; Shen, Jian; Wang, Harry V; Gong, Wenping; Soehl, Anna

    2010-07-01

    Understanding the dynamics of water exchange between Baltimore Harbor and the Chesapeake Bay is essential when evaluating transport and fate of dissolved substances in both of these systems. Conservative artificial tracers are used in this study to investigate transport processes through a three-dimensional hydrodynamic model (CH3D). The model well reproduced the three-layered circulation pattern in Baltimore Harbor. Several numerical experiments are performed to trace the water mass coming from different sources. The results indicate that both the upper and lower layers of the Harbor are the dominant pathways of transporting dissolved substances from Susquehanna River to the Harbor. Such inward transport is intensified (suppressed) during the high-discharge (low-discharge) period. The upper layer inflow transports water mass with high concentrations of dissolved substances while the inflow from the lower layer transports water mass with low concentrations of dissolved substances. The bottom layer is the dominant pathway for transporting dissolved substances from the lower Bay to the Harbor. Lower river discharge and stronger along-Bay pressure gradient (resulting in stronger landward residual flow in the bottom layer of the Bay) facilitate the bottom intrusion of dissolved substances from lower Bay to the Harbor. Once contaminants are transported into the Harbor, they usually stay for a longer time in the mid-depth of the Harbor than those in other layers due to the three-layer circulation in the Harbor. The time needed for the contaminants being transported out of the Harbor during a typical low-discharge period is about 1 month longer than that needed during a typical high-discharge period. The results, from the environmental perspective, provide new insights for quantitative evaluation on the transport processes of the dissolved biogeochemical substances between Baltimore Harbor and Chesapeake Bay.

  12. Probabilistic settling in the Local Exchange Model of turbulent particle transport.

    PubMed

    McNair, James N

    2006-07-21

    The Local Exchange Model (LEM) is a stochastic diffusion model of particle transport in turbulent flowing water. It was developed mainly for application to particles of near-neutral buoyancy that are strongly influenced by turbulent eddies. Turbulence can rapidly transfer such particles to the bed, where settlement can then occur by, for example, sticking to biofilms (e.g., fine particulate organic matter, or FPOM) or attaching to the substrate behaviorally (e.g., benthic invertebrates). Previous papers on the LEM have addressed the problems of how long (time) and far (distance) a suspended particle will be transported before hitting the bed for the first time. These are the hitting-time and hitting-distance problems, respectively. Hitting distances predicted by the LEM for FPOM in natural streams tend to be much shorter than the distances at which most particles actually settle, suggesting that particles usually do not settle the first time they hit the bed. The present paper extends the LEM so it can address probabilistic settling, where a particle encountering the bed can either remain there for a positive length of time (i.e., settle) or immediately reflect back into the water column, each with positive probability. Previous results for the LEM are generalized by deducing a single set of equations governing the probability distribution and moments of a broad class of quantities that accumulate during particle trajectories terminated by hitting or settling on the bed (e.g., transport time, transport distance, cumulative energy expenditure during transport). Key properties of the settling-time and settling-distance distributions are studied numerically and compared with the observed FPOM settling-distance distribution for a natural stream. Some remaining limitations of the LEM and possible means of overcoming them are discussed.

  13. Spectral modeling of the charge-exchange X-ray emission from M82

    SciTech Connect

    Zhang, Shuinai; Ji, Li; Zhou, Xin; Wang, Q. Daniel; Smith, Randall K.; Foster, Adam R.

    2014-10-10

    It has been proposed that the charge-exchange (CX) process at the interface between hot and cool interstellar gases could contribute significantly to the observed soft X-ray emission in star-forming galaxies. We analyze the XMM-Newton/reflection grating spectrometer (RGS) spectrum of M82 using a newly developed CX model combined with a single-temperature thermal plasma to characterize the volume-filling hot gas. The CX process is largely responsible for not only the strongly enhanced forbidden lines of the Kα triplets of various He-like ions but also good fractions of the Lyα transitions of C VI (∼87%), O VIII, and N VII (≳50%) as well. In total about a quarter of the X-ray flux in the RGS 6-30 Å band originates in the CX. We infer an ion incident rate of 3 × 10{sup 51} s{sup –1} undergoing CX at the hot and cool gas interface and an effective area of the interface of ∼2 × 10{sup 45} cm{sup 2} that is one order of magnitude larger than the cross section of the global biconic outflow. With the CX contribution accounted for, the best-fit temperature of the hot gas is 0.6 keV, and the metal abundances are approximately solar. We further show that the same CX/thermal plasma model also gives an excellent description of the EPIC-pn spectrum of the outflow Cap, projected at 11.6 kpc away from the galactic disk of M82. This analysis demonstrates that the CX is potentially an important contributor to the X-ray emission from starburst galaxies and also an invaluable tool to probe the interface astrophysics.

  14. Observation and modeling of geocoronal charge exchange X-ray emission during solar wind gusts

    SciTech Connect

    Wargelin, B. J.; Kornbleuth, M.; Juda, M.; Martin, P. L.

    2014-11-20

    Solar wind charge exchange (SWCX) X-rays are emitted when highly charged solar wind ions such as O{sup 7{sup +}} collide with neutral gas, including the Earth's tenuous outer atmosphere (exosphere or geocorona) and hydrogen and helium from the local interstellar medium drifting through the heliosphere. This geocoronal and heliospheric emission comprises a significant and varying fraction of the soft X-ray background (SXRB) and is seen in every X-ray observation, with the intensity dependent on solar wind conditions and observation geometry. Under the right conditions, geocoronal emission can increase the apparent SXRB by roughly an order of magnitude for an hour or more. In this work, we study a dozen occasions when the near-Earth solar wind flux was exceptionally high. These gusts of wind lead to abrupt changes in SWCX X-ray emission around Earth, which may or may not be seen by X-ray observatories depending on their line of sight. Using detailed three-dimensional magnetohydrodynamical simulations of the solar wind's interaction with the Earth's magnetosphere, and element abundances and ionization states measured by ACE, we model the time-dependent brightness of major geocoronal SWCX emission lines during those gusts and compare with changes in the X-ray background measured by the Chandra X-ray Observatory. We find reasonably good agreement between model and observation, with measured geocoronal line brightnesses averaged over 1 hr of up to 136 photons s{sup –1} cm{sup –2} sr{sup –1} in the O VII Kα triplet around 564 eV.

  15. Modelling non-steady-state isotope enrichment of leaf water in a gas-exchange cuvette environment.

    PubMed

    Song, Xin; Simonin, Kevin A; Loucos, Karen E; Barbour, Margaret M

    2015-12-01

    The combined use of a gas-exchange system and laser-based isotope measurement is a tool of growing interest in plant ecophysiological studies, owing to its relevance for assessing isotopic variability in leaf water and/or transpiration under non-steady-state (NSS) conditions. However, the current Farquhar & Cernusak (F&C) NSS leaf water model, originally developed for open-field scenarios, is unsuited for use in a gas-exchange cuvette environment where isotope composition of water vapour (δv ) is intrinsically linked to that of transpiration (δE ). Here, we modified the F&C model to make it directly compatible with the δv -δE dynamic characteristic of a typical cuvette setting. The resultant new model suggests a role of 'net-flux' (rather than 'gross-flux' as suggested by the original F&C model)-based leaf water turnover rate in controlling the time constant (τ) for the approach to steady sate. The validity of the new model was subsequently confirmed in a cuvette experiment involving cotton leaves, for which we demonstrated close agreement between τ values predicted from the model and those measured from NSS variations in isotope enrichment of transpiration. Hence, we recommend that our new model be incorporated into future isotope studies involving a cuvette condition where the transpiration flux directly influences δv . There is an increasing popularity among plant ecophysiologists to use a gas-exchange system coupled to laser-based isotope measurement for investigating non-steady state (NSS) isotopic variability in leaf water (and/or transpiration); however, the current Farquhar & Cernusak (F&C) NSS leaf water model is unsuited for use in a gas-exchange cuvette environment due to its implicit assumption of isotope composition of water vapor (δv ) being constant and independent of that of transpiration (δE ). In the present study, we modified the F&C model to make it compatible with the dynamic relationship between δv and δE as is typically associated

  16. The boson-Hubbard model on a kagome lattice with a sextic ring-exchange term

    NASA Astrophysics Data System (ADS)

    Rousseau, Valery; Tam, Ka-Ming; Moreno, Juana; Jarrell, Mark

    2012-02-01

    We present exact quantum Monte Carlo simulations of hard-core bosons in a two-dimensional Kagome lattice with a sextic ring-exchange term. We study how the superfluid density evolves as the ring-exchange interactions are increased. We show that the system becomes unstable in the limit of large interactions at all fillings and undergoes a phase separation, except at 13 and 23 fillings for which the superfluid density vanishes and a solid state forms.

  17. Validity of the second Fick's law for modeling ion-exchange diffusion in non-crystalline viscoelastic media (glasses)

    NASA Astrophysics Data System (ADS)

    Tagantsev, D. K.; Ivanenko, D. V.

    2016-04-01

    It is shown that, in general case, the diffusion equation (or the second Fick's law) does not provide an adequate description of ion-exchange transport phenomena in viscoelastic media, including glassy or any other non-crystalline media. In this connection the general phenomenological model of ion-exchange diffusion in viscoelastic media has been developed. A theoretical analysis of the model shows that, in the case of a linear dependence of medium density on the concentration of diffusing ions, the necessary and sufficient condition of the absolute validity of the diffusion equation in viscoelastic media is Φ ≫ 1, where Φ = τD/τR is the dimensionless value (or criterion of similarity), with τD = L2/D being the characteristic time of diffusion and τR = η/G being the characteristic time of stress relaxation, where L, D, η, and G are the characteristic length of diffusion, the diffusivity, the viscosity, and the shear modulus, respectively. The value of 1/Φ characterizes the accuracy which is provided if the second Fick's law is used in the simulation of ion-exchange diffusion in viscoelastic media. We have demonstrated the applicability of this criterion experimentally. Our experimental studies on ion-exchange diffusion in an oxide glass (typical viscoelastic media) have shown that under the condition the Φ > 105 the experimental concentration profiles are close to those predicted by the second Fick's law to within an accuracy of 1%.

  18. Reprint of: A numerical modelling of gas exchange mechanisms between air and turbulent water with an aquarium chemical reaction

    NASA Astrophysics Data System (ADS)

    Nagaosa, Ryuichi S.

    2014-08-01

    This paper proposes a new numerical modelling to examine environmental chemodynamics of a gaseous material exchanged between the air and turbulent water phases across a gas-liquid interface, followed by an aquarium chemical reaction. This study uses an extended concept of a two-compartment model, and assumes two physicochemical substeps to approximate the gas exchange processes. The first substep is the gas-liquid equilibrium between the air and water phases, A(g)⇌A(aq), with Henry's law constant H. The second is a first-order irreversible chemical reaction in turbulent water, A(aq)+H2O→B(aq)+H+ with a chemical reaction rate κA. A direct numerical simulation (DNS) technique has been employed to obtain details of the gas exchange mechanisms and the chemical reaction in the water compartment, while zero velocity and uniform concentration of A is considered in the air compartment. The study uses the different Schmidt numbers between 1 and 8, and six nondimensional chemical reaction rates between 10(≈0) to 101 at a fixed Reynolds number. It focuses on the effects of the Schmidt number and the chemical reaction rate on fundamental mechanisms of the gas exchange processes across the interface.

  19. A numerical modelling of gas exchange mechanisms between air and turbulent water with an aquarium chemical reaction

    NASA Astrophysics Data System (ADS)

    Nagaosa, Ryuichi S.

    2014-01-01

    This paper proposes a new numerical modelling to examine environmental chemodynamics of a gaseous material exchanged between the air and turbulent water phases across a gas-liquid interface, followed by an aquarium chemical reaction. This study uses an extended concept of a two-compartment model, and assumes two physicochemical substeps to approximate the gas exchange processes. The first substep is the gas-liquid equilibrium between the air and water phases, A(g)⇌A(aq), with Henry's law constant H. The second is a first-order irreversible chemical reaction in turbulent water, A(aq)+H2O→B(aq)+H+ with a chemical reaction rate κA. A direct numerical simulation (DNS) technique has been employed to obtain details of the gas exchange mechanisms and the chemical reaction in the water compartment, while zero velocity and uniform concentration of A is considered in the air compartment. The study uses the different Schmidt numbers between 1 and 8, and six nondimensional chemical reaction rates between 10(≈0) to 101 at a fixed Reynolds number. It focuses on the effects of the Schmidt number and the chemical reaction rate on fundamental mechanisms of the gas exchange processes across the interface.

  20. Ion-exchange reactions on clay minerals coupled with advection/dispersion processes. Application to Na+/Ca2+ exchange on vermiculite: Reactive-transport modeling, batch and stirred flow-through reactor experiments

    NASA Astrophysics Data System (ADS)

    Tertre, E.; Hubert, F.; Bruzac, S.; Pacreau, M.; Ferrage, E.; Prêt, D.

    2013-07-01

    The present study aims at testing the validity of using an Na+/Ca2+ ion-exchange model, derived from batch data to interpret experimental Ca2+-for-Na+ exchange breakthrough curves obtained on vermiculite (a common swelling clay mineral in surface environments). The ion-exchange model was constructed considering the multi-site nature of the vermiculite surface as well as the exchange of all aqueous species (Mg2+ derived from the dissolution of the solid and H+). The proposed ion-exchange model was then coupled with a transport model, and the predicted breakthrough curves were compared with the experimental ones obtained using a well stirred flow-through reactor. For a given solute residence time in the reactor (typically 50 min), our thermodynamic model based on instantaneous equilibrium was found to accurately reproduce several of the experimental breakthrough curves, depending on the Na+ and Ca2+ concentrations of the influents pumped through the reactor. However the model failed to reproduce experimental breakthrough curves obtained at high flow rates and low chemical gradient between the exchanger phase and the solution. An alternative model based on a hybrid equilibrium/kinetic approach was thus used and allowed predicting experimental data. Based on these results, we show that a simple parameter can be used to differentiate between thermodynamic and kinetic control of the exchange reaction with water flow. The results of this study are relevant for natural systems where two aquatic environments having contrasted chemistries interact. Indeed, the question regarding the attainment of a full equilibrium in such a system during the contact time of the aqueous phase with the particle/colloid remains most often open. In this context, we show that when a river (a flow of fresh water) encounters marine colloids, a systematic full equilibrium can be assumed (i.e., the absence of kinetic effects) when the residence time of the solute in 1 m3 of the system is ⩾6200 h.

  1. Modelling of geochemical reactions and experimental cation exchange in MX 80 bentonite.

    PubMed

    Montes-H, G; Fritz, B; Clement, A; Michau, N

    2005-10-01

    Bentonites are widely used for waste repository systems because of their hydrodynamic, surface and chemical-retention properties. MX 80 bentonite (bentonite of Wyoming) contains approximately 85% Na/Ca-montmorillonite and 15% accessory minerals. The dominant presence of Na/Ca-montmorillonite in this clay mineral could cause it to perform exceptionally well as an engineered barrier for a radioactive waste repository because this buffer material is expected to fill up by swelling the void between canisters containing waste and the surrounding ground. However, the Na/Ca-montmorillonite could be transformed to other clay minerals as a function of time under repository conditions. Previous modelling studies based on the hydrolysis reactions have shown that the Na/Ca-montmorillonite-to-Ca-montmorillonite conversion is the most significant chemical transformation. In fact, this chemical process appears to be a simple cation exchange into the engineered barrier. The purpose of the present study was two-fold. Firstly, it was hoped to predict the newly formed products of bentonite-fluid reactions under repository conditions by applying a thermokinetic hydrochemical code (KIRMAT: Kinetic Reactions and Mass Transport). The system modelled herein was considered to consist of a 1-m thick zone of water-saturated engineered barrier. This non-equilibrated system was placed in contact with a geological fluid on one side, which was then allowed to diffuse into the barrier, while the other side was kept in contact with iron-charged water. Reducing initial conditions ( [P(O)2 approximately equals 0] ; Eh=-200 mV) and a constant reaction temperature (100 degrees C) were considered. Secondly, it was hoped to estimate the influence of inter-layer cations (Ca and Na) on the swelling behaviour of the MX 80 bentonite by using an isothermal system of water vapour adsorption and an environmental scanning electron microscope (ESEM) coupled with a digital image analysis (DIA) program. Here, the

  2. Net ecosystem CO2 exchange and evapotranspiration of a sphagnum mire: field measurements and model simulations

    NASA Astrophysics Data System (ADS)

    Olchev, Alexander; Volkova, Elena; Karataeva, Tatiana; Zatsarinnaya, Dina; Novenko, Elena

    2014-05-01

    The spatial and temporal variability of net ecosystem exchange of CO2 (NEE) and evapotranspiration (ET) of a karst-hole sphagnum peat mire situated at the boundary between broad-leaved and forest-steppe zones in the central part of European Russia (54.06N, 37.59E, 260 m a.s.l.) was described using results of field measurements and simulations with Mixfor-3D model. The area of the mire is about 1.2 ha and it is surrounded by a broadleaved forest stand. It is a typical peat mire according to water and mineral supply as well as to vegetation composition. The vegetation of the peripheral parts of the mire is typical eutrophic whereas the vegetation in its central part is represented by meso-oligothrophic plant communities. To describe the spatial variability of NEE and ET within the mire a portable measuring system consisting of a transparent ventilated chamber combined with an infrared CO2 and H2O analyzer LI-840A (Li-Cor, USA) was used. The measurements were provided along a transect from the southern peripheral part of the mire to its center under sunny clear-sky weather conditions in the period from May to September of 2012 and from May 2013 to October 2013. The chamber method was used for measurements of NEE and ET fluxes because of small size of the mire, a very uniform surrounding forest stand and the mosaic mire vegetation. All these factors promote very heterogeneous exchange conditions within the mire and make it difficult to apply, for example, an eddy covariance method that is widely used for flux measurements in the field. The results of the field measurements showed a significant spatial and temporal variability of NEE and ET that was mainly influenced by incoming solar radiation, air temperature and ground water level. During the entire growing season the central part of the mire was a sink of CO2 for the atmosphere (up to 6.8±4.2 µmol m-2 s-1 in June) whereas its peripheral part, due to strong shading by the surrounding forest, was mainly a source of

  3. MULTI-SCALE MODELING AND APPROXIMATION ASSISTED OPTIMIZATION OF BARE TUBE HEAT EXCHANGERS

    SciTech Connect

    Bacellar, Daniel; Ling, Jiazhen; Aute, Vikrant; Radermacher, Reinhard; Abdelaziz, Omar

    2014-01-01

    Air-to-refrigerant heat exchangers are very common in air-conditioning, heat pump and refrigeration applications. In these heat exchangers, there is a great benefit in terms of size, weight, refrigerant charge and heat transfer coefficient, by moving from conventional channel sizes (~ 9mm) to smaller channel sizes (< 5mm). This work investigates new designs for air-to-refrigerant heat exchangers with tube outer diameter ranging from 0.5 to 2.0mm. The goal of this research is to develop and optimize the design of these heat exchangers and compare their performance with existing state of the art designs. The air-side performance of various tube bundle configurations are analyzed using a Parallel Parameterized CFD (PPCFD) technique. PPCFD allows for fast-parametric CFD analyses of various geometries with topology change. Approximation techniques drastically reduce the number of CFD evaluations required during optimization. Maximum Entropy Design method is used for sampling and Kriging method is used for metamodeling. Metamodels are developed for the air-side heat transfer coefficients and pressure drop as a function of tube-bundle dimensions and air velocity. The metamodels are then integrated with an air-to-refrigerant heat exchanger design code. This integration allows a multi-scale analysis of air-side performance heat exchangers including air-to-refrigerant heat transfer and phase change. Overall optimization is carried out using a multi-objective genetic algorithm. The optimal designs found can exhibit 50 percent size reduction, 75 percent decrease in air side pressure drop and doubled air heat transfer coefficients compared to a high performance compact micro channel heat exchanger with same capacity and flow rates.

  4. Mass exchange in an experimental new-generation life support system model based on biological regeneration of environment

    NASA Astrophysics Data System (ADS)

    Tikhomirov, A. A.; Ushakova, S. A.; Manukovsky, N. S.; Lisovsky, G. M.; Kudenko, Yu. A.; Kovalev, V. S.; Gubanov, V. G.; Barkhatov, Yu. V.; Gribovskaya, I. V.; Zolotukhin, I. G.; Gros, J. B.; Lasseur, Ch.

    An experimental model of a biological life support system was used to evaluate qualitative and quantitative parameters of the internal mass exchange. The photosynthesizing unit included the higher plant component (wheat and radish), and the heterotrophic unit consisted of a soil-like substrate, California warms, mushrooms and microbial microflora. The gas mass exchange involved evolution of oxygen by the photosynthesizing component and its uptake by the heterotroph component along with the formation and maintaining of the SLS structure, growth of mushrooms and California worms, human respiration, and some other processes. Human presence in the system in the form of "virtual human" that at regular intervals took part in the respirative gas exchange during the experiment. Experimental data demonstrated good oxygen/carbon dioxide balance, and the closure of the cycles of these gases was almost complete. The water cycle was nearly 100% closed. The main components in the water mass exchange were transpiration water and the watering solution with mineral elements. Human consumption of the edible plant biomass (grains and roots) was simulated by processing these products by a unique physicochemical method of oxidizing them to inorganic mineral compounds, which were then returned into the system and fully assimilated by the plants. The oxidation was achieved by "wet combustion" of organic biomass, using hydrogen peroxide following a special procedure, which does not require high temperature and pressure. Hydrogen peroxide is produced from the water inside the system. The closure of the cycle was estimated for individual elements and compounds. Stoichiometric proportions are given for the main components included in the experimental model of the system. Approaches to the mathematical modeling of the cycling processes are discussed, using the data of the experimental model. Nitrogen, as a representative of biogmic elements, shows an almost 100% closure of the cycle inside

  5. Isotope exchange between natural and anthropogenic Pb in the coastal waters of Singapore: exchange experiment, Kd model, and implications for the interpretation of coastal 210Pb data

    NASA Astrophysics Data System (ADS)

    Boyle, E. A.; Chen, M.; Zurbrick, C.; Carrasco, G. G.

    2015-12-01

    Observations from annually-banded corals and seawater samples show that marine lead (Pb) in the coastal waters of Singapore has an isotopic composition that does not match that of the anthropogenic aerosols in this region, unlike what is seen in most parts of the open ocean. The 206Pb/207Pb composition of Singaporean marine Pb is 1.18-1.20 whereas the local aerosols are 1.14-1.16. In order to explore this discrepancy further, we collected a large volume water from the Johor River estuary (flowing from Malaysia to the northern border of Singapore), added a distinct isotope spike (NBS981, 206Pb/207Pb =1.093) to an unfiltered sample, and followed the dissolved isotope composition of the mixture during the following two months. The initial dissolved Pb concentration was 18.3 pmol/kg with 206Pb/207Pb of 1.200. "Total dissolvable" Pb released after acidification of the in the unfiltered sample was 373 pmol/kg with 206Pb/207Pb of 1.199, indicating that there is a large particulate Pb reservoir with an isotopic composition comparable to regional crustal natural Pb. The isotope spike should have brought the dissolved 206Pb/207Pb to 1.162, but less than a day after isotope spiking, the dissolved Pb had risen to 1.181 and continued a slow increase to 1.197 over the next two months. This experiment demonstrates that Johor estuary particulate matter contains a large reservoir of exchangeable Pb that will modify the isotopic composition of deposited aeolian aerosol anthropogenic Pb. We have modeled the evolution of Pb and Pb isotopes in this experiment with a single Kd -type model that assumes that there are two or three different Pb reservoirs with different exchange time constants. This observation has implications for isotope equilibrium between high Pb/210Pb continental particles and low Pb/210Pb ocean waters - what is merely isotope equilibration may appear to be 210Pb scavenging.

  6. DEVELOPMENT OF AN APPROACH TO MODELING LOADING AND ELUTION OF SPHERICAL RESORCINOL FORMALDEHYDE ION-EXCHANGE RESIN

    SciTech Connect

    Aleman, S.; Hamm, L.; Smith, F.

    2011-10-03

    The current strategy for removal of cesium from the Hanford waste stream is ion-exchange using spherical Resorcinol-Formaldehyde (sRF) resin. The original resin of choice was granular SuperLig 644 resin and during testing of this resin several operational issues were identified. For example, the granular material had a high angle of internal friction resulting in fragmentation of resin particles along its edges during cycling and adverse hydraulic performance. Efforts to replace SuperLig 644 were undertaken and one candidate was the granular Resorcinol-Formaldehyde (RF) resin where experience with this cation exchanger dates back to the late 1940's. To minimize hydraulic concerns a spherical version of RF was developed and several different chemically produced batches were created. The 5E-370/641 batch of sRF was selected and for the last decade numerous studies have been performed (e.g., batch contact tests, column loading and elution tests). The Waste Treatment Plant (WTP) flowsheet shows that the aqueous phase waste stream will have a wide range of ionic concentrations (e.g., during the loading step 0-3 M free OH, 5+ M Na, 0-1 M K, 0-3 M NO{sub 3}). Several steps are required in the ion-exchange process to achieve the required Cs separation factors: loading, displacement, washing, elution, and regeneration. The sRF resin will be operated over a wide range in pH (i.e., pH of 12-14 during the loading step and pH of 0.01-1 during the elution step). During some of these steps very high levels of counter-ions and co-ions will be present within the aqueous phase. Alternative process feeds are under consideration as well (e.g., sodium levels as high as 8 M and column operation up to 45 C during loading, reduced and recycled HNO{sub 3} during elution). In order to model the performance of sRF resin through an entire ion-exchange cycle, a more robust isotherm model is required. To achieve this more robust isotherm model requires knowledge of the numbers and kinds of

  7. Help seeking in older Asian people with dementia in Melbourne: using the Cultural Exchange Model to explore barriers and enablers.

    PubMed

    Haralambous, Betty; Dow, Briony; Tinney, Jean; Lin, Xiaoping; Blackberry, Irene; Rayner, Victoria; Lee, Sook-Meng; Vrantsidis, Freda; Lautenschlager, Nicola; Logiudice, Dina

    2014-03-01

    The prevalence of dementia is increasing in Australia. Limited research is available on access to Cognitive Dementia and Memory Services (CDAMS) for people with dementia from Culturally and Linguistically Diverse (CALD) communities. This study aimed to determine the barriers and enablers to accessing CDAMS for people with dementia and their families of Chinese and Vietnamese backgrounds. Consultations with community members, community workers and health professionals were conducted using the "Cultural Exchange Model" framework. For carers, barriers to accessing services included the complexity of the health system, lack of time, travel required to get to services, language barriers, interpreters and lack of knowledge of services. Similarly, community workers and health professionals identified language, interpreters, and community perceptions as key barriers to service access. Strategies to increase knowledge included providing information via radio, printed material and education in community group settings. The "Cultural Exchange Model" enabled engagement with and modification of the approaches to meet the needs of the targeted CALD communities.

  8. Understanding the effects of permeability heterogeneity and connectivity on surface water-groundwater exchange using multiscale models

    NASA Astrophysics Data System (ADS)

    Pryshlak, T. T.; Sawyer, A. H.; Stonedahl, S. H.; Soltanian, M. R.

    2014-12-01

    Permeability heterogeneity and channel morphology both control surface water-groundwater exchange (hyporheic exchange) and therefore influence stream ecosystem processes and biogeochemical cycles. However, the effects of permeability heterogeneity are less understood than channel morphology due to the challenge of measuring permeability at relevant scales in the field. Permeability fields in streambeds often have sharp, discontinuous contrasts ranging by orders of magnitudes (e.g. sand-clay contacts). To better understand the effects of permeability heterogeneity we modeled hyporheic exchange in bimodal permeability fields consisting of sand and clay in a representative low-gradient stream. Heterogeneity was developed using a Markov Chain approach for representing sand and clay stratasets using commonly observed characteristics of sediments including volumetric proportions and mean lengths. The channel topography was generated and characterized using Fourier series. Hydraulic head was assigned along the streambed as a function of topography and stream velocity. Initial results show that sedimentary structure, specifically the positioning of sand strata, controls hyporheic exchange depth and fluxes. Particle tracing simulations test the hypothesis that uncertainty in solute residence times increases as the connectivity of permeable sand strata increases due to the partitioning of solutes between connected and stagnant flow paths. These results will lead to a better understanding of how heterogeneity and the structure of highly permeable strata influences hyporheic residence times and biogeochemical processes.

  9. Clothing convective heat exchange--proposal for improved prediction in standards and models.

    PubMed

    Holmér, I; Nilsson, H; Havenith, G; Parsons, K

    1999-07-01

    Convection is an important determinant for both sensible and evaporative heat exchange. Heat transfer by convection for normal boundary conditions is readily described by simple power functions. Clothing affects convection in various ways and existing characterisation of clothing by its static insulation values produces inaccurate prediction of sensible heat exchange, eventually leading to erroneous risk assessment. The present paper reviews various methods for evaluation of clothing convective (sensible) heat exchange. Based on available data, two equations are proposed for determination of the reduction of the total insulation values obtained under static, still wind conditions as a consequence of wind and walking effects. The equations apply from 0 to 1.84 clo, from 0.2 to 3 m/s and for walking speeds up to 1.2 m/s. The equations are incorporated in ISO 7933 to provide a more realistic and accurate prediction of sensible heat transfer through clothing.

  10. Role stressors and job attitudes: a mediated model of leader-member exchange.

    PubMed

    Zhang, Rui-Ping; Tsingan, Li; Zhang, Long-Ping

    2013-01-01

    Workers with high levels of role stressors have been known to report low job satisfaction and high turnover intention. However, how the role stressors-job attitudes relationship is influenced by leader-member exchange has hardly been studied. This study examined the effect of leader-member exchange (leader support) on the relationship between chronic role stressors (i.e., role ambiguity and role conflict) and job attitudes (i.e., job satisfaction and turnover intention). Employees (N = 162) who enrolled in weekend psychology courses were investigated. The results showed that leader-member exchange mediated the effects of role stressors on job satisfaction and turnover intention. Implications of these results are discussed and directions for future research are suggested.

  11. Generalization of iterative perturbation theory and coherent potential approximation (ITP+CPA) to double exchange model with orbital degeneracy

    NASA Astrophysics Data System (ADS)

    Liu, Zi-Xin; Wen, Sheng-Hui; Li, Ming

    2008-06-01

    A combination of the iterative perturbation theory (ITP) of the dynamical mean field theory (DMFT) and coherent-potential approximation (CPA) is generalized to the double exchange model with orbital degeneracy. The Hubbard interaction and the off-diagonal components for the hopping matrix tmnij(m ≠ n) are considered in our calculation of spectrum and optical conductivity. The numerical results show that the effects of the non-diagonal hopping matrix elements are important.

  12. Estimation of a simple agent-based model of financial markets: An application to Australian stock and foreign exchange data

    NASA Astrophysics Data System (ADS)

    Alfarano, Simone; Lux, Thomas; Wagner, Friedrich

    2006-10-01

    Following Alfarano et al. [Estimation of agent-based models: the case of an asymmetric herding model, Comput. Econ. 26 (2005) 19-49; Excess volatility and herding in an artificial financial market: analytical approach and estimation, in: W. Franz, H. Ramser, M. Stadler (Eds.), Funktionsfähigkeit und Stabilität von Finanzmärkten, Mohr Siebeck, Tübingen, 2005, pp. 241-254], we consider a simple agent-based model of a highly stylized financial market. The model takes Kirman's ant process [A. Kirman, Epidemics of opinion and speculative bubbles in financial markets, in: M.P. Taylor (Ed.), Money and Financial Markets, Blackwell, Cambridge, 1991, pp. 354-368; A. Kirman, Ants, rationality, and recruitment, Q. J. Econ. 108 (1993) 137-156] of mimetic contagion as its starting point, but allows for asymmetry in the attractiveness of both groups. Embedding the contagion process into a standard asset-pricing framework, and identifying the abstract groups of the herding model as chartists and fundamentalist traders, a market with periodic bubbles and bursts is obtained. Taking stock of the availability of a closed-form solution for the stationary distribution of returns for this model, we can estimate its parameters via maximum likelihood. Expanding our earlier work, this paper presents pertinent estimates for the Australian dollar/US dollar exchange rate and the Australian stock market index. As it turns out, our model indicates dominance of fundamentalist behavior in both the stock and foreign exchange market.

  13. Parameterization of a coupled CO2 and H2O gas exchange model at the leaf scale of Populus euphratica

    NASA Astrophysics Data System (ADS)

    Zhu, G. F.; Li, X.; Su, Y. H.; Huang, C. L.

    2010-03-01

    The following two models were combined to simultaneously predict CO2 and H2O gas exchange at the leaf scale of Populus euphratica: a Farquhar et al. type biochemical sub-model of photosynthesis (Farquhar et al., 1980) and a Ball et al. type stomatal conductance sub-model (Ball et al., 1987). The photosynthesis parameters [including maximum carboxylation rate allowed by ribulose-1,5-bisphosphate carboxylase/oxygenase (Rubisco) carboxylation rate (Vcmax), potential light-saturated electron transport rate (Jmax), triose phosphate utilization (TPU) and day respiration (Rd)] were determined by using the genetic algorithm (GA) method based on A/Ci data. Values of Vcmax and Jmax standardized at 25 °C were 75.09±1.36 (mean ± standard error), 117.27±2.47, respectively. The stomatal conductance sub-model was calibrated independently. Prediction of net photosynthesis by the coupled model agreed well with the validation data, but the model tended to underestimate transpiration rates. Overall, the combined model generally captured the diurnal patterns of CO2 and H2O exchange resulting from variation in temperature and irradiation.

  14. Modeling of water masses exchange between Brepolen and the main fjord in the Western Svalbard fjord - Hornsund

    NASA Astrophysics Data System (ADS)

    Jakacki, Jaromir; Przyborska, Anna; Sunfjord, Arild; Albertsen, Jon; Białoskórski, Michał; Pliszka, Bartosz

    2016-04-01

    Hornsund is the southernmost fjord of the Svalbard archipelago island - Spitsbergen. It is under the influence of two main currents - the coastal Sørkapp Current (SC) carrying fresher and colder water masses from the Barents Sea and the West Spitsbergen Current (WSC), which is the branch of the Norwegian Atlantic Current (NwAC) and carries warm and salty waters from the North Atlantic. The main local forcing, which is tidal motion, brings shelf waters into the central fjord basin and then the transformed masses are carried into the easternmost part of the fjord, Brepolen. For the purpose of studying circulation and water exchange in this area a three-dimensional hydrodynamic model has been implemented and validated. The model is based on MIKE by DHI product and covers the Hornsund fjord with the shelf area, which is the fjord foreground. It is sigma a coordinate model (in our case 35 vertical levels) with variable horizontal resolution (mesh grid). The smallest cell has a horizontal dimension less than one hundred meters and the largest cells about 5 km. In spite of model limitations, the model reproduces the main circulation and water pathways in the Brepolen area. Seasonal and annual volume, heat and salt exchanges have been also estimated. The influence of freshwater discharge on shelf-fjord exchange will be also analyzed. The model results allow to study full horizontal and vertical fields of physical parameters (temperature, salinity, sea level variations and currents). The model integration covers only years 2005-2010 and the presented results will be based on this simulation. The project has been financed from the funds of the Leading National Research Centre (KNOW) received by the Centre for Polar Studies for the period 2014-2018

  15. A 1-D Size Specific Numerical Model for Gravel Transport That Includes Sediment Exchange with a Floodplain

    NASA Astrophysics Data System (ADS)

    Lauer, Wesley; Viparelli, Enrica; Piegay, Herve

    2014-05-01

    Sedimentary deposits adjacent to rivers can represent important sources and sinks for bed material sediment, particularly on decadal and longer timescales. The Morphodynamics and Sediment Tracers in 1-D model (MAST-1D) is a size-specific sediment transport model that allows for active exchange between channel and floodplain sediment on river reaches of tens to hundreds of kilometers in length. The model is intended to provide a mechanism for performing a first-order assessment of the likely importance of off-channel sediment exchange in controlling decadal-scale geomorphic trends, thereby helping plan and/or prioritize field data collection and higher resolution modeling work. The model develops a sediment budget for short segments of an alluvial valley. Each segment encompasses several active river bends. In each segment, a sediment transport capacity computation is performed to determine the downstream flux of bed material sediment, following the approach of most other 1-D sediment transport models. However, the model differs from most other bed evolution models in that sediment can be exchanged with the floodplain in each segment, and mass conservation is applied to both the active layer and floodplain sediment storage reservoirs. The potential for net imbalances in overall exchange as well as the size specific nature of the computations allows the model to simulate reach-scale aggradation/degradation and/or changes in bed texture. The inclusion of fine sediment in the model allows it to track geochemical tracer material and also provides a mechanism to simulate, to first order, the effects of changes in the supply of silt and clay on overall channel hydraulic capacity. The model is applied to a ~40 km reach of the Ain River, a tributary of the Rhône River in eastern France that has experienced a significant sediment deficit as a result of the construction of several dams between 1920 and 1970. MAST-1D simulations result in both incision and the formation of a

  16. Improving Quality and Quantity of Contributions: Two Models for Promoting Knowledge Exchange with Shared Databases

    ERIC Educational Resources Information Center

    Cress, U.; Barquero, B.; Schwan, S.; Hesse, F. W.

    2007-01-01

    Shared databases are used for knowledge exchange in groups. Whether a person is willing to contribute knowledge to a shared database presents a social dilemma: Each group member saves time and energy by not contributing any information to the database and by using the database only to retrieve information which was contributed by others. But if…

  17. Mathematical modeling of heat exchange between mine air and rock mass during fire

    SciTech Connect

    A.E. Krasnoshtein; B.P. Kazakov; A.V. Shalimov

    2006-05-15

    Solution of problems on heat exchange between ventilating air and rock mass and on gas admixture propagation in mine workings serve as a base for considering changes in heat-gas-air state at a mine after inflammation. The presented mathematical relations allow calculation of a varied velocity and movement direction of air flows, their temperatures and smoking conditions during fire.

  18. Quantifying the measurement errors in a LI-6400 gas exchange system and their effects on the parameterization of Farquhar et al. model for C3 leaves

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The LI-6400 gas exchange system (Li-Cor, Inc, Lincoln, NE, USA) has been widely used for the measurement of net gas exchanges and calibration/parameterization of leaf models. Measurement errors due to diffusive leakages of water vapor and carbon dioxide between inside and outside of the leaf chamber...

  19. Numerical Model for Channel/Floodplain Exchange on a Gravel Bed River: Relative Importance of Upstream and Downstream Boundaries and of Lateral Exchange (Invited)

    NASA Astrophysics Data System (ADS)

    Lauer, J. W.

    2013-12-01

    represent a significant part of the bed material sediment budget. Model runs can assess the relative importance of a) the response of the system to afforestation (through modification of the hydraulic roughness of the floodplain) b) hydrologic impact of the dams (which requires a description of the impact of reservoir management on the full flow duration distribution, an issue addressed statistically using the observed annual flood maxima), c) the effect of sediment starvation, which causes channel incision and the formation of a bed pavement and/or partly alluvial zone, and d) changes in water level in the Rhône River downstream from the confluence. Model runs show that the effects of sediment starvation propagate downstream much more rapidly if the floodplain does not provide sediment to the channel and/or if bedrock is located near the alluvial surface. However, under certain conditions, sand-size sediment eroded from the floodplain can mobilize coarser bed material, leading to more bed incision than is the case without channel/floodplain sediment exchange. In general, runs show that the dynamics of the upstream end of the system depend strongly on sediment supply, while the dynamics of the downstream end (i.e. near the Rhône) are also influenced by floodplain vegetation, downstream water level, and the overall history of incision within the reach.

  20. A replica exchange Monte Carlo algorithm for protein folding in the HP model

    PubMed Central

    Thachuk, Chris; Shmygelska, Alena; Hoos, Holger H

    2007-01-01

    Background The ab initio protein folding problem consists of predicting protein tertiary structure from a given amino acid sequence by minimizing an energy function; it is one of the most important and challenging problems in biochemistry, molecular biology and biophysics. The ab initio protein folding problem is computationally challenging and has been shown to be NP MathType@MTEF@5@5@+=feaafiart1ev1aaatCvAUfKttLearuWrP9MDH5MBPbIqV92AaeXatLxBI9gBaebbnrfifHhDYfgasaacH8akY=wiFfYdH8Gipec8Eeeu0xXdbba9frFj0=OqFfea0dXdd9vqai=hGuQ8kuc9pgc9s8qqaq=dirpe0xb9q8qiLsFr0=vr0=vr0dc8meaabaqaciaacaGaaeqabaqabeGadaaakeaat0uy0HwzTfgDPnwy1egaryqtHrhAL1wy0L2yHvdaiqaacqWFneVtcqqGqbauaaa@3961@-hard even when conformations are restricted to a lattice. In this work, we implement and evaluate the replica exchange Monte Carlo (REMC) method, which has already been applied very successfully to more complex protein models and other optimization problems with complex energy landscapes, in combination with the highly effective pull move neighbourhood in two widely studied Hydrophobic Polar (HP) lattice models. Results We demonstrate that REMC is highly effective for solving instances of the square (2D) and cubic (3D) HP protein folding problem. When using the pull move neighbourhood, REMC outperforms current state-of-the-art algorithms for most benchmark instances. Additionally, we show that this new algorithm provides a larger ensemble of ground-state structures than the existing state-of-the-art methods. Furthermore, it scales well with sequence length, and it finds significantly better conformations on long biological sequences and sequences with a provably unique ground-state structure, which is believed to be a characteristic of real proteins. We also present evidence that our REMC algorithm can fold sequences which exhibit significant interaction between termini in the hydrophobic core relatively easily. Conclusion We demonstrate that REMC utilizing the pull move neighbourhood

  1. Evaluating the use of a continuous approximation for model-based quantification of pulsed chemical exchange saturation transfer (CEST)

    NASA Astrophysics Data System (ADS)

    Tee, Y. K.; Khrapitchev, A. A.; Sibson, N. R.; Payne, S. J.; Chappell, M. A.

    2012-09-01

    Many potential clinical applications of chemical exchange saturation transfer (CEST) have been studied in recent years. However, due to various limitations such as specific absorption rate guidelines and scanner hardware constraints, most of the proposed applications have yet to be translated into routine diagnostic tools. Currently, pulsed CEST which uses multiple short pulses to perform the saturation is the only viable irradiation scheme for clinical translation. However, performing quantitative model-based analysis on pulsed CEST is time consuming because it is necessary to account for the time dependent amplitude of the saturation pulses. As a result, pulsed CEST is generally treated as continuous CEST by finding its equivalent average field or power. Nevertheless, theoretical analysis and simulations reveal that the resulting magnetization is different when the different irradiation schemes are applied. In this study, the quantification of important model parameters such as the amine proton exchange rate from a pulsed CEST experiment using quantitative model-based analyses were examined. Two model-based approaches were considered - discretized and continuous approximation to the time dependent RF irradiation pulses. The results showed that the discretized method was able to fit the experimental data substantially better than its continuous counterpart, but the smaller fitted error of the former did not translate to significantly better fit for the important model parameters. For quantification of the endogenous CEST effect, such as in amide proton transfer imaging, a model-based approach using the average power equivalent saturation can thus be used in place of the discretized approximation.

  2. Measuring and modeling changes in land-atmosphere exchanges and hydrologic response in forests undergoing insect-driven mortality

    NASA Astrophysics Data System (ADS)

    Gochis, D. J.; Brooks, P. D.; Harpold, A. A.; Ewers, B. E.; Pendall, E.; Barnard, H. R.; Reed, D.; Harley, P. C.; Hu, J.; Biederman, J.

    2010-12-01

    Given the magnitude and spatial extent of recent forest mortality in the western U.S. there is a pressing need to improve representation of such influences on the exchange of energy, water, biogeochemical and momentum fluxes in land-atmosphere parameterizations coupled to weather and climate models. In this talk we present observational data and model results from a new study aimed at improving understanding the impacts of mountain pine beetle-induced forest mortality in the central Rocky Mountains. Baseline observations and model runs from undisturbed lodgepole pine forest conditions are developed as references against which new observations and model runs from infested stands are compared. We will specifically look at the structure and evolution of sub-canopy energy exchange variables such as shortwave and longwave radiation and sub-canopy turbulence as well as sub-canopy precipitation, sapflow fluxes, canopy-scale fluxes and soil moisture and temperature. In this manner we seek to lay the ground work for evaluating the recent generation of land surface model changes aimed at representing insect-related forest dynamics in the CLM-C/N and Noah land surface models.

  3. An XML Model of an Enhanced Data Dictionary to Facilitate the Exchange of Clinical Research Data in International Studies

    PubMed Central

    Duda, Stephany N.; Cushman, Clint; Masys, Daniel R.

    2013-01-01

    The clinical research data sets exchanged in international epidemiology research often lack the elements needed to assess their suitability for use in multi-region meta-analyses. While the missing information is generally known to local investigators, it is not contained in the files exchanged between sites. Instead, such content must be solicited by the study coordinating center though a series of lengthy phone and electronic communications: an informal process whose reproducibility and accuracy decays over time. This report describes a set of supplemental information needed to assess whether clinical research data from diverse research sites are truly comparable, and what metadata (“data about the data”) should be preserved when a data set is archived for future use. We propose a structured Extensible Markup Language (XML) model that captures this information. The authors hope this model will be a first step towards preserving the metadata associated with clinical research data sets, thereby improving the quality of international data exchange, data archiving, and merged-data research using data collected in many different countries, languages and care settings. PMID:17911757

  4. INTERDISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY: Solvable Catalyzed Birth-Death-Exchange Competition Model of Three Species

    NASA Astrophysics Data System (ADS)

    Wang, Hai-Feng; Lin, Zhen-Quan; Gao, Yan; Zhang, Heng

    2009-10-01

    A competition model of three species in exchange-driven aggregation growth is proposed. In the model, three distinct aggregates grow by exchange of monomers and in parallel, birth of species A is catalyzed by species B and death of species A is catalyzed by species C. The rates for both catalysis processes are proportional to kjν and kjω respectively, where ν(Ω) is a parameter reflecting the dependence of the catalysis reaction rate of birth (death) on the catalyst aggregate's size. The kinetic evolution behaviors of the three species are investigated by the rate equation approach based on the mean-field theory. The form of the aggregate size distribution of A-species ak(t) is found to be dependent crucially on the two catalysis rate kernel parameters. The results show that (i) in case of μ <= 0, the form of ak(t) mainly depends on the competition between self-exchange of species A and species-C-catalyzed death of species A; (ii) in case of ν > 0, the form of ak(t) mainly depends on the competition between species-B-catalyzed birth of species A and species-C-catalyzed death of species A.

  5. Approximate strip exchanging.

    PubMed

    Roy, Swapnoneel; Thakur, Ashok Kumar

    2008-01-01

    Genome rearrangements have been modelled by a variety of primitives such as reversals, transpositions, block moves and block interchanges. We consider such a genome rearrangement primitive Strip Exchanges. Given a permutation, the challenge is to sort it by using minimum number of strip exchanges. A strip exchanging move interchanges the positions of two chosen strips so that they merge with other strips. The strip exchange problem is to sort a permutation using minimum number of strip exchanges. We present here the first non-trivial 2-approximation algorithm to this problem. We also observe that sorting by strip-exchanges is fixed-parameter-tractable. Lastly we discuss the application of strip exchanges in a different area Optical Character Recognition (OCR) with an example.

  6. Critical validity assessment of theoretical models: charge-exchange at intermediate and high energies

    NASA Astrophysics Data System (ADS)

    Belkić, Dževad

    1999-06-01

    Exact comprehensive computations are carried out by means of four leading second-order approximations yielding differential cross sections dQ/ dΩ for the basic charge exchange process H ++H(1s)→H(1s)+H + at intermediate and high energies. The obtained extensive set of results is thoroughly tested against all the existing experimental data with the purpose of critically assessing the validity of the boundary corrected second-Born (CB2), continuum-distorted wave (CDW), impulse approximation (IA) and the reformulated impulse approximation (RIA). The conclusion which emerges from this comparative study clearly indicates that the RIA agrees most favorably with the measurements available over a large energy range 25 keV-5 MeV. Such a finding reaffirms the few-particle quantum scattering theory which imposes several strict conditions on adequate second-order methods. These requirements satisfied by the RIA are: (i) normalisations of all the scattering wave functions, (ii) correct boundary conditions in both entrance and exit channels, (iii) introduction of a mathematically justified two-center continuum state for the sum of an attractive and a repulsive Coulomb potential with the same interaction strength, (iv) inclusion of the multiple scattering effects neglected in the IA, (v) a proper description of the Thomas double scattering in good agreement with the experiments and without any unobserved peak splittings. Nevertheless, the performed comparative analysis of the above four approximations indicates that none of the methods is free from some basic shortcomings. Despite its success, the RIA remains essentially a high-energy model like the other three methods under study. More importantly, their perturbative character leaves virtually no room for further systematic improvements, since the neglected higher-order terms are prohibitively tedious for practical purposes and have never been computed exactly. To bridge this gap, we presently introduce the variational Pad

  7. Magnetospheric Solar Wind Charge Exchange - A Comparison Between the GUMICS-4 MHD Model and XMM-Newton.

    NASA Astrophysics Data System (ADS)

    Walach, M. T.; Whittaker, I. C.; Sembay, S.; Carter, J. A.; Read, A. M.

    2015-12-01

    The Solar Wind Earth Exchange Project (SWEEP) seeks to improve our understanding of the interaction of the solar wind with the Earth. X-ray emission resulting from charge exchange between oxygen in the solar wind and magnetospheric neutral hydrogen is modelled for a series of observations from XMM-Newton, an X-ray astronomical observatory. We use OMNI solar wind conditions, heavy ion composition data from ACE, the Hodges neutral hydrogen model and combine these with the GUMICS-4 MHD model to predict the global levels of X-ray emission from solar wind charge exchange (in the 0.5-0.7 keV band). The emission is then integrated along a line of sight and compared to the measured XMM-Newton sky background emissivity rates to determine the accuracy of these model predictions. Our results show that the magnitude of the integrated X-ray emissivity for both the modelled and observed flux is similar in a large number of cases, while the correlation of emission changes in detail between cases. We show that the accuracy of the oxygen density and relative charge state abundances is vital. The positional accuracy of the magnetopause is important as it forms the outer edge of the masking of the plasmasphere, including the cusps in our global emissivity rates. The derived position of the magnetopause and various masks are discussed with examples given, highlighting their relative accuracy. We also show the potential of X-ray emission for remote sensing of the magnetosphere, when used in combination with a wide field X-ray imaging system.

  8. XY ring exchange model with frustrated Ising coupling on the triangular lattice

    NASA Astrophysics Data System (ADS)

    Owerre, S. A.

    2016-07-01

    We investigate the nature of a Z2-invariant XY ring-exchange interaction with a frustrated Ising coupling on the triangular lattice. Within the limits of pure XY ring-exchange interaction, we show that the classical ground state is degenerate resulting from the Z2-invariance of the Hamiltonian. Quantum fluctuations lift these classical degenerate ground states and produce an unusual state whose excitation spectrum exhibits a gapped maximum quadratic dispersion near k = 0 and vanishes at the midpoints of each side of the Brillouin zone. This result is in contrast to a gapless quadratic dispersion near k = 0 in the U(1)-invariant counterpart. We also study the effects of frustration when competing with a classically frustrated Ising interaction. We provide a glimpse into the possible quantum phases that could emerge. A comprehensive understanding of this Hamiltonian, however, cannot be elucidated analytically and requires an explicit numerical simulation.

  9. Systematic modeling study of channel waveguide fabrication by thermal silver ion exchange.

    PubMed

    Li, Guangyu; Winick, Kim A; Griffin, Henry C; Hayden, Joseph S

    2006-03-10

    A systematic study of thermal silver ion exchange used for the fabrication of optical channel waveguides is reported in a single-alkali glass. The diffusion equilibrium and diffusion dynamics are experimentally studied, and the concentration-dependent diffusion coefficients are determined. The relationship between the fabrication conditions, i.e., time, temperature, and melt concentration, and the induced waveguide refractive index profile is established. It is demonstrated that the diffusion equation can be solved, without use of any free parameters, to predict the refractive index profiles of both planar and channel waveguides. A 1.6 cm diameter integrated optic ring resonator, with a propagation loss of 0.1 dB/cm, is fabricated in a glass by thermal silver ion exchange. The induced refractive index profile is related to the optical characteristics of the functional device. PMID:16572690

  10. Modeling hyporheic exchange and in-stream transport with time-varying transit time distributions

    NASA Astrophysics Data System (ADS)

    Ball, A.; Harman, C. J.; Ward, A. S.

    2014-12-01

    Transit time distributions (TTD) are used to understand in-stream transport and exchange with the hyporheic zone by quantifying the probability of water (and of dissolved material) taking time T to traverse the stream reach control volume. However, many studies using this method assume a TTD that is time-invariant, despite the time-variability of the streamflow. Others assume that storage is 'randomly sampled' or 'well-mixed' with a fixed volume or fixed exchange rate. Here we present a formulation for a time-variable TTD that relaxes both the time-invariant and 'randomly sampled' assumptions and only requires a few parameters. The framework is applied to transient storage, representing some combination of in-stream and hyporheic storage, along a stream reach. This approach does not assume that hyporheic and dead-zone storage is fixed or temporally-invariant, and allows for these stores to be sampled in more physically representative ways determined by the system itself. Instead of using probability distributions of age, probability distributions of storage (ranked by age) called Ω functions are used to describe how the off-stream storage is sampled in the outflow. Here the Ω function approach is used to describe hyporheic exchange during diurnal fluctuations in streamflow in a gaining reach of the H.J. Andrews Experimental Forest. The breakthrough curves of salt slugs injected four hours apart over a 28-hour period show a systematic variation in transit time distribution. This new approach allows us to relate these salt slug TTDs to a corresponding time-variation in the Ω function, which can then be related to changes in in-stream storage and hyporheic zone mobilization under varying flow conditions. Thus, we can gain insights into how channel storage and hyporheic exchange are changing through time without having to specify difficult to measure or unmeasurable quantities of our system, such as total storage.

  11. Analytical and Numerical Modeling of Fluid Flow and Heat Transfer through Open-Cell Metal Foam Heat Exchangers

    NASA Astrophysics Data System (ADS)

    Taheri, Mehrdad

    In this thesis analytical and numerical investigations of fluid flow and heat transfer through open cell metal foam heat exchangers are presented. Primarily, different representative unit cell approximations, i.e, tetrakaidecahedron, dodecahedron and cubic are discussed. By applying the thermal resistance analogy, a novel formulation for evaluation of the effective thermal conductivity of metal foams is proposed. The model improves previous models based on cubic or hexagonal cells. By using computer tomography images of a nickel foam sample a realistic 3D geometry is created and the foam's geometrical properties (i.e., porosity and surface area to volume ratio) and effective thermal conductivity are obtained. By using the experimentally found values of permeability, Forchheimer coefficient and solid-fluid interfacial convection coefficient, mathematical models for fluid flow and heat transfer in metal foams are developed. Two different assumptions: local thermal equilibrium (LTE) and local thermal non-equilibrium (LTNE), are used. LTNE yields more accurate results. A three-dimensional computational fluid dynamics (CFD) model of metal foam is made and validated against the experimental data for a square cross sectional nickel foam heat exchanger channel heated from the side walls while cooling air passes through the foam. The simulations are carried out for constant temperature or heat flux and different foam materials with pore densities of 10 and 40 pores per inch. The results show that the bonding of the foam to the walls has a considerable impact on the heat transfer rate. Convective heat transfer coefficients in terms of Nusselt number as functions of Reynolds number are also obtained. The design and CFD modeling of metal foam cross flow heat exchangers are also discussed. The results indicate both effectiveness and number of transfer units (NTU) for the metal foam heat exchangers are higher than those of a hollow channel; however, the effectiveness-NTU curves

  12. A Comparison of Process-Scale Modeling and Measurements of Atmosphere-Snowpack Exchange of Nitrogen Oxides at Summit, Greenland

    NASA Astrophysics Data System (ADS)

    Murray, K. A.; Helmig, D.; Kramer, L. J.; Doskey, P. V.; Van Dam, B. A.; Seok, B.; Ganzeveld, L.

    2015-12-01

    Snowpack over glacial ice is a reservoir for reactive nitrogen gases. Previous studies indicate nitrogen oxides (NOx) are generated in snowpack interstitial air through photolysis of nitrate (NO3-). Gradients in NOx mixing ratios between snowpack interstitial air and the overlying atmosphere regulate NOx surface exchange, which affects the Arctic ozone budget and climate. To better understand the dynamics of cryosphere-atmosphere exchange of NOx in the Arctic, we use a 1-D process-scale model to evaluate measurements of NOxin and above the snowpack during March-May 2009 at Summit, Greenland. The model is based upon the processes previously presented in the snowpack chemistry and physics model, MISTRA-SNOW, which represents snow grains as spheres with surfaces uniformly coated by an aqueous phase. Modeled profiles of NO, NO2, and O3 up to ~ 2 meters deep into the snowpack for March-May 2009 have been compared to measured profiles and will be presented. During the March-May time period at Summit, low irradiances are observed during March, diurnal irradiance profiles are observed during April, and the sun never sets in May. The model results suggest a key chemical pathway for the formation of NO2 during "nighttime" that was previously unexplained. In addition, modeled 24-hour NOx fluxes are compared to measured NOx fluxes from a MET tower at Summit. Modeled fluxes of NOx in April 2009 are the same order of magnitude as the measurements; however, modeled fluxes of NOx deviate up to one order of magnitude from measurements in May 2009. A detailed analysis of the modeled/measured flux comparison will be presented.

  13. Analysis of heat transfer in a borehole heat exchanger (BHE) with the OpenGeoSys model

    NASA Astrophysics Data System (ADS)

    Shim, B.; Park, C.; Kim, H.; LEE, Y.

    2013-12-01

    We simulated thermal dispersion of a borehole heat exchanger (BHE) with a thermal response test (TRT) data by using the OpenGeoSys model. The analysis of the heat transfer is critical for the design of ground source heat pump (GSHP) system because the system performance is related mostly to the geometry of BHE and the thermal properties of each material. The adapted system is double U-tube type and the borehole depth is 200 m and a model was set up according to the BHE specification in 40 x 40 m in x, y scale. Inside area of two inlet and two outlet fluid pipes, different temperature of circulation fluid were determined according to the test data. The simulated temperature variation around the well and borehole wall is compared with the temperature distribution obtained by the line source model. The differences were studied to evaluate the developed model and heat exchange rates were calculated during an operation period. As well as the heat transfer simulation by the ground water flow in fracture were conducted.

  14. Modelling static and dynamic behaviour of proton exchange membrane fuel cells on the basis of electro-chemical description

    NASA Astrophysics Data System (ADS)

    Ceraolo, M.; Miulli, C.; Pozio, A.

    A simplified dynamical model of a fuel cell of the proton exchange membrane (PEM) type, based on physical-chemical knowledge of the phenomena occurring inside the cell has been developed by the authors. The model has been implemented in the MATLAB/SIMULINK environment. Lab tests have been carried out at ENEA's laboratories; and a good agreement has been found between tests and simulations, both in static and dynamic conditions. In a previous study [M. Ceraolo, R. Giglioli, C. Miulli, A. Pozio, in: Proceedings of the 18th International Electric Fuel Cell and Hybrid Vehicle Symposium (EVS18), Berlin, 20-24 October 2001, p. 306] the basic ideas of the model, as well as its experimental validation have been published. In the present paper, the full implementation of the model is reported in detail. Moreover, a procedure for evaluating all the needed numerical parameters is presented.

  15. Water exchange through the Betic and Rifian corridors prior to the Messinian Salinity Crisis: A model study

    NASA Astrophysics Data System (ADS)

    Vara, Alba; Topper, Robin P. M.; Meijer, Paul Th.; Kouwenhoven, Tanja J.

    2015-05-01

    Although the present-day Mediterranean-Atlantic water exchange has been extensively studied, little is known about the dynamics of the Betic and Rifian corridors that existed before the Messinian Salinity Crisis. Due to the difficulties in studying the paleogeographic evolution of these corridors, physics-based knowledge of their behavior is essential to interpret observational evidence and to relate flow structures to gateway geometries. Here we present the first systematic model study of the water exchange through these gateways. We use the parallel version of the Princeton Ocean Model (sbPOM) and a set of idealized bathymetries based on a late Tortonian paleogeography. This analysis represents a major step forward in the understanding of the behavior of the double-gateway system constituted by the Late Miocene Betic and Rifian corridors. We demonstrate that the "siphon" scenario, involving inflow of cold upwelled Atlantic water through the Rifian corridor and outflow of Mediterranean water only via the Betic corridor, is unlikely from a physics perspective. It is shown that two exchange patterns are possible depending solely on the relative depth of the corridors. The implication of this is that geological evidence for the behavior of one corridor provides information about the dimensions of the other. We show that disappearance of outflow in one corridor does not necessarily imply its closure and we establish a guideline to determine how geological evidence can be interpreted as indicating one- or two-layer flow. Based on the model results, we propose new physics-based scenarios for the time interval defined for the siphon.

  16. Optimization of Heat Exchangers

    SciTech Connect

    Ivan Catton

    2010-10-01

    The objective of this research is to develop tools to design and optimize heat exchangers (HE) and compact heat exchangers (CHE) for intermediate loop heat transport systems found in the very high temperature reator (VHTR) and other Generation IV designs by addressing heat transfer surface augmentation and conjugate modeling. To optimize heat exchanger, a fast running model must be created that will allow for multiple designs to be compared quickly. To model a heat exchanger, volume averaging theory, VAT, is used. VAT allows for the conservation of mass, momentum and energy to be solved for point by point in a 3 dimensional computer model of a heat exchanger. The end product of this project is a computer code that can predict an optimal configuration for a heat exchanger given only a few constraints (input fluids, size, cost, etc.). As VAT computer code can be used to model characteristics )pumping power, temperatures, and cost) of heat exchangers more quickly than traditional CFD or experiment, optimization of every geometric parameter simultaneously can be made. Using design of experiment, DOE and genetric algorithms, GE, to optimize the results of the computer code will improve heat exchanger disign.

  17. Size-dependent, stochastic nature of lipid exchange between nano-vesicles and model membranes

    NASA Astrophysics Data System (ADS)

    Tabaei, Seyed R.; Gillissen, Jurriaan J. J.; Vafaei, Setareh; Groves, Jay T.; Cho, Nam-Joon

    2016-07-01

    The interaction of nanoscale lipid vesicles with cell membranes is of fundamental importance for the design and development of vesicular drug delivery systems. Here, we introduce a novel approach to study vesicle-membrane interactions whereby we are able to probe the influence of nanoscale membrane properties on the dynamic adsorption, exchange, and detachment of vesicles. Using total internal reflection fluorescence (TIRF) microscopy, we monitor these processes in real-time upon the electrostatically tuned attachment of individual, sub-100 nm vesicles to a supported lipid bilayer. The observed exponential vesicle detachment rate depends strongly on the vesicle size, but not on the vesicle charge, which suggests that lipid exchange occurs during a single stochastic event, which is consistent with membrane stalk formation. The fluorescence microscopy assay developed in this work may enable measuring of the probability of stalk formation in a controlled manner, which is of fundamental importance in membrane biology, offering a new tool to understand nanoscale phenomena in the context of biological sciences.The interaction of nanoscale lipid vesicles with cell membranes is of fundamental importance for the design and development of vesicular drug delivery systems. Here, we introduce a novel approach to study vesicle-membrane interactions whereby we are able to probe the influence of nanoscale membrane properties on the dynamic adsorption, exchange, and detachment of vesicles. Using total internal reflection fluorescence (TIRF) microscopy, we monitor these processes in real-time upon the electrostatically tuned attachment of individual, sub-100 nm vesicles to a supported lipid bilayer. The observed exponential vesicle detachment rate depends strongly on the vesicle size, but not on the vesicle charge, which suggests that lipid exchange occurs during a single stochastic event, which is consistent with membrane stalk formation. The fluorescence microscopy assay developed

  18. Multiscale study of bacterial growth: Experiments and model to understand the impact of gas exchange on global growth.

    PubMed

    Lalanne-Aulet, David; Piacentini, Adalberto; Guillot, Pierre; Marchal, Philippe; Moreau, Gilles; Colin, Annie

    2015-01-01

    Using a millifluidics and macroscale setup, we study quantitatively the impact of gas exchange on bacterial growth. In millifluidic environments, the permeability of the incubator materials allows an unlimited oxygen supply by diffusion. Moreover, the efficiency of diffusion at small scales makes the supply instantaneous in comparison with the cell division time. In hermetic closed vials, the amount of available oxygen is low. The growth curve has the same trend but is quantitatively different from the millifluidic situation. The analysis of all the data allows us to write a quantitative modeling enabling us to capture the entire growth process.

  19. Performance of Replica-Exchange Wang-Landau Sampling for the 2D Ising Model: A Brief Survey

    SciTech Connect

    Zhao, Yiwei; Cheung, Siu Wun; Li, Ying Wai; Eisenbach, Markus

    2014-01-01

    We report a brief performance study of the replica-exchange Wang-Landau algorithm, a recently proposed parallel realization of Wang-Landau sampling, using the 2D Ising model as a test case. The simulation time is found to scale inversely with the square root of the number of subwindows (and thus number of processors) used to span the global parameter space. We also investigate the time profiles for random walkers in dierent subwindows to complete iterations, which will aid the development of and adaptive load-balancing scheme.

  20. A two-dimensional microscale model of gas exchange during photosynthesis in maize (Zea mays L.) leaves.

    PubMed

    Retta, Moges; Ho, Quang Tri; Yin, Xinyou; Verboven, Pieter; Berghuijs, Herman N C; Struik, Paul C; Nicolaï, Bart M

    2016-05-01

    CO2 exchange in leaves of maize (Zea mays L.) was examined using a microscale model of combined gas diffusion and C4 photosynthesis kinetics at the leaf tissue level. Based on a generalized scheme of photosynthesis in NADP-malic enzyme type C4 plants, the model accounted for CO2 diffusion in a leaf tissue, CO2 hydration and assimilation in mesophyll cells, CO2 release from decarboxylation of C4 acids, CO2 fixation in bundle sheath cells and CO2 retro-diffusion from bundle sheath cells. The transport equations were solved over a realistic 2-D geometry of the Kranz anatomy obtained from light microscopy images. The predicted responses of photosynthesis rate to changes in ambient CO2 and irradiance compared well with those obtained from gas exchange measurements. A sensitivity analysis showed that the CO2 permeability of the mesophyll-bundle sheath and airspace-mesophyll interfaces strongly affected the rate of photosynthesis and bundle sheath conductance. Carbonic anhydrase influenced the rate of photosynthesis, especially at low intercellular CO2 levels. In addition, the suberin layer at the exposed surface of the bundle sheath cells was found beneficial in reducing the retro-diffusion. The model may serve as a tool to investigate CO2 diffusion further in relation to the Kranz anatomy in C4 plants. PMID:26993234

  1. Optimizing liquid waste treatment processing in PWRs: focus on modeling of the variation of ion-exchange resins selectivity coefficients

    SciTech Connect

    Gressier, Frederic; Van der Lee, Jan; Schneider, Helene; Bachet, Martin; Catalette, Hubert

    2007-07-01

    A bibliographic survey has highlighted the essential role of selectivity on resin efficiency, especially the variation of selectivity coefficients in function of the resin saturation state and the operating conditions. This phenomenon has been experimentally confirmed but is not yet implemented into an ion-exchange model specific for resins. This paper reviews the state of the art in predicting sorption capacity of ion-exchange resins. Different models accounting for ions activities inside the resin phase are available. Moreover, a comparison between the values found in the literature and our results has been done. The results of sorption experiments of cobalt chloride on a strong cationic gel type resin used in French PWRs are presented. The graph describing the variation of selectivity coefficient with respect to cobalt equivalent fraction is drawn. The parameters determined by the analysis of this graph are injected in a new physico-chemical law. Implementation of this model in the chemical speciation simulation code CHESS enables to study the overall effect of this approach for the sorption in a batch. (authors)

  2. Emission-dominated gas exchange of elemental mercury vapor over natural surfaces in China

    NASA Astrophysics Data System (ADS)

    Wang, Xun; Lin, Che-Jen; Yuan, Wei; Sommar, Jonas; Zhu, Wei; Feng, Xinbin

    2016-09-01

    Mercury (Hg) emission from natural surfaces plays an important role in global Hg cycling. The present estimate of global natural emission has large uncertainty and remains unverified against field data, particularly for terrestrial surfaces. In this study, a mechanistic model is developed for estimating the emission of elemental mercury vapor (Hg0) from natural surfaces in China. The development implements recent advancements in the understanding of air-soil and air-foliage exchange of Hg0 and redox chemistry in soil and on surfaces, incorporates the effects of soil characteristics and land use changes by agricultural activities, and is examined through a systematic set of sensitivity simulations. Using the model, the net exchange of Hg0 between the atmosphere and natural surfaces of mainland China is estimated to be 465.1 Mg yr-1, including 565.5 Mg yr-1 from soil surfaces, 9.0 Mg yr-1 from water bodies, and -100.4 Mg yr-1 from vegetation. The air-surface exchange is strongly dependent on the land use and meteorology, with 9 % of net emission from forest ecosystems; 50 % from shrubland, savanna, and grassland; 33 % from cropland; and 8 % from other land uses. Given the large agricultural land area in China, farming activities play an important role on the air-surface exchange over farmland. Particularly, rice field shift from a net sink (3.3 Mg uptake) during April-October (rice planting) to a net source when the farmland is not flooded (November-March). Summing up the emission from each land use, more than half of the total emission occurs in summer (51 %), followed by spring (28 %), autumn (13 %), and winter (8 %). Model verification is accomplished using observational data of air-soil/air-water fluxes and Hg deposition through litterfall for forest ecosystems in China and Monte Carlo simulations. In contrast to the earlier estimate by Shetty et al. (2008) that reported large emission from vegetative surfaces using an evapotranspiration approach, the estimate in

  3. Horizontal transport modelling and exchange of atmospheric nitrogen gases with the coastal ocean

    SciTech Connect

    Soerensen, L.L.; Hertel, O.; Pedersen, B.; Wagner, M.; Larsen, S.E.; Hoejstrup, J.; Schultz, M.; Leeuw, G. de; Geernaert, G.L.

    1994-12-31

    According to both estimates based on measurements as well as computations, about 1/3 of the nitrogen supply to the coastal waters of Denmark is directly from the atmosphere. Nitrogen fluxes to marine waters are, however, an area which is still not fully understood, and lack from the need of high quality field experiments. This is the background for this research project on air-sea exchange. Due to the solubility of HNO{sub 3} and NJ{sub 3}, the determining factor for air-sea exchange of these components is the atmospheric transport. The concentration of HNO{sub 3} in seawater is negligible, and therefore HNO{sub 3} is always deposited at the sea surface if it is not chemically transformed through reactions. Heterogeneous and homogeneous atmospheric reactions lead to the production of nitric acid vapor, hydrochloric acid vapor, and sulfuric acid vapor as a product of SO{sub 2} pollution drifting offshore. These strong acids rapidly react with NH{sub 3}.

  4. Size-dependent, stochastic nature of lipid exchange between nano-vesicles and model membranes.

    PubMed

    Tabaei, Seyed R; Gillissen, Jurriaan J J; Vafaei, Setareh; Groves, Jay T; Cho, Nam-Joon

    2016-07-21

    The interaction of nanoscale lipid vesicles with cell membranes is of fundamental importance for the design and development of vesicular drug delivery systems. Here, we introduce a novel approach to study vesicle-membrane interactions whereby we are able to probe the influence of nanoscale membrane properties on the dynamic adsorption, exchange, and detachment of vesicles. Using total internal reflection fluorescence (TIRF) microscopy, we monitor these processes in real-time upon the electrostatically tuned attachment of individual, sub-100 nm vesicles to a supported lipid bilayer. The observed exponential vesicle detachment rate depends strongly on the vesicle size, but not on the vesicle charge, which suggests that lipid exchange occurs during a single stochastic event, which is consistent with membrane stalk formation. The fluorescence microscopy assay developed in this work may enable measuring of the probability of stalk formation in a controlled manner, which is of fundamental importance in membrane biology, offering a new tool to understand nanoscale phenomena in the context of biological sciences. PMID:27355613

  5. Mathematical modeling of the "plant community -soil-like substrate -gas exchange with the human" closed ecosystem

    NASA Astrophysics Data System (ADS)

    Barkhatov, Yuri; Gubanov, Vladimir; Tikhomirov, Alexander A.; Degermendzhy, Andrey G.

    A mathematical model of the "plant community -soil-like substrate -gas exchange with the human" experimental biological life support system (BLSS) has been constructed to predict its functioning and estimate feasibility of controlling it. The mathematical model consists of three compartments -two `phytotron' models (with wheat and radish) and the `mycotron' model (for mushrooms). The following components are included in the model: edible mushrooms (mushroom fruit bodies and mycelium); wheat; radish; straw (processed by mycelium); dead organic matter in the phytotron (separately for the wheat unit and for the radish unit); worms; worms' coprolites; vermicompost used as a soil-like substrate (SLS); bacterial microflora; min-eral nitrogen, phosphorus and iron; products of the system intended for humans (wheat grains, radish roots and mushroom fruit bodies); oxygen and carbon dioxide. Under continuous gas exchange, the mass exchange between the compartments occurs at the harvesting time. The conveyor character of the closed ecosystem functioning has been taken into account -the num-ber of culture age groups can be regulated (in experiments -4 and 8 age groups). The conveyor cycle duration can be regulated as well. The module is designed for the food and gas exchange requirements of 1/30 of a virtually present human. Aim of model analysis is determination of investigation direction in real experimental BLSS. The model allows doing dynamic calcu-lations of closure coefficient based on the main elements taken into account in the model and evaluating all dynamic components of the system under different conditions and modes of its operation, especially under the conditions that can hardly be created experimentally. One of the sustainability conditions can be long-duration functioning of the system under the light-ing that is far from the optimum. The mathematical model of the system can demonstrate variants of its sustainable functioning or ruin under various critical

  6. Surface-atmosphere exchange of ammonia over peatland using QCL-based eddy-covariance measurements and inferential modeling

    NASA Astrophysics Data System (ADS)

    Zöll, Undine; Brümmer, Christian; Schrader, Frederik; Ammann, Christof; Ibrom, Andreas; Flechard, Christophe R.; Nelson, David D.; Zahniser, Mark; Kutsch, Werner L.

    2016-09-01

    Recent advances in laser spectrometry offer new opportunities to investigate ecosystem-atmosphere exchange of environmentally relevant trace gases. In this study, we demonstrate the applicability of a quantum cascade laser (QCL) absorption spectrometer to continuously measure ammonia concentrations at high time resolution and thus to quantify the net exchange between a seminatural peatland ecosystem and the atmosphere based on the eddy-covariance approach. Changing diurnal patterns of both ammonia concentration and fluxes were found during different periods of the campaign. We observed a clear tipping point in early spring with decreasing ammonia deposition velocities and increasingly bidirectional fluxes that occurred after the switch from dormant vegetation to CO2 uptake but was triggered by a significant weather change. While several biophysical parameters such as temperature, radiation, and surface wetness were identified to partially regulate ammonia exchange at the site, the seasonal concentration pattern was clearly dominated by agricultural practices in the surrounding area. Comparing the results of a compensation point model with our measurement-based flux estimates showed considerable differences in some periods of the campaign due to overestimation of non-stomatal resistances caused by low acid ratios. The total cumulative campaign exchange of ammonia after 9 weeks, however, differed only in a 6 % deviation with 911 and 857 g NH3-N ha-1 deposition being found by measurements and modeling, respectively. Extrapolating our findings to an entire year, ammonia deposition was lower than reported by Hurkuck et al. (2014) for the same site in previous years using denuder systems. This was likely due to a better representation of the emission component in the net signal of eddy-covariance fluxes as well as better adapted site-specific parameters in the model. Our study not only stresses the importance of high-quality measurements for studying and assessing land

  7. Comparison of measured reactive trace gas profiles with a multi-layer canopy chemical exchange model in an Amazonian rainforest

    NASA Astrophysics Data System (ADS)

    Wolff, Stefan; Ganzeveld, Laurens; Tsokankunku, Anywhere; Pöhlker, Christopher; de Abreu Sá, Leonardo Deane; Ocimar Manzi, Antonio; Souza, Rodrigo; Trebs, Ivonne; Sörgel, Matthias

    2016-04-01

    In 2011, an 80 m high walk up tower for atmospheric research was erected at the ATTO (Amazon Tall Tower Observatory) site (02°08'38.8''S, 58°59'59.5''W) in the remote Amazonian rainforest. The nearly pristine environment allows biosphere-atmosphere studies within an ecosystem far away from large anthropogenic emission sources. Since April 2012 vertical mixing ratio profiles of H2O, CO2 and O3 were measured at 8 different heights between 0.05 m and 79.3 m. During five intensive campaigns (Oct-Dec 2012, Oct-Nov 2013, Mar 2014, Aug-Sep 2014, Oct-Dec 2015) nitric oxide (NO) and nitrogen dioxide (NO2) were also measured. We applied the Multi-layer Canopy Chemical Exchange Model - MLC-CHEM to support the analysis of the observed profiles of NOx and O3. This includes inferring bi-directional surface-atmosphere exchange fluxes as well as the role of the canopy interactions between the emissions, dry deposition, chemistry and turbulent transport of trace gases. During our investigation of diurnal and seasonal differences between model and measurements, we conducted a set of sensitivity studies to analyse the effects of changes in NOx-soil emissions, in-canopy turbulence and resistances for O3 and NO2 uptake on wet surfaces. These analyses suggest some modification in the representation of some of the poorly constrained canopy processes resulting in a significantly better comparison between the simulated and measured exchange fluxes and concentrations.

  8. APEX user`s guide - (Argonne production, expansion, and exchange model for electrical systems), version 3.0

    SciTech Connect

    VanKuiken, J.C.; Veselka, T.D.; Guziel, K.A.; Blodgett, D.W.; Hamilton, S.; Kavicky, J.A.; Koritarov, V.S.; North, M.J.; Novickas, A.A.; Paprockas, K.R.

    1994-11-01

    This report describes operating procedures and background documentation for the Argonne Production, Expansion, and Exchange Model for Electrical Systems (APEX). This modeling system was developed to provide the U.S. Department of Energy, Division of Fossil Energy, Office of Coal and Electricity with in-house capabilities for addressing policy options that affect electrical utilities. To meet this objective, Argonne National Laboratory developed a menu-driven programming package that enables the user to develop and conduct simulations of production costs, system reliability, spot market network flows, and optimal system capacity expansion. The APEX system consists of three basic simulation components, supported by various databases and data management software. The components include (1) the investigation of Costs and Reliability in Utility Systems (ICARUS) model, (2) the Spot Market Network (SMN) model, and (3) the Production and Capacity Expansion (PACE) model. The ICARUS model provides generating-unit-level production-cost and reliability simulations with explicit recognition of planned and unplanned outages. The SMN model addresses optimal network flows with recognition of marginal costs, wheeling charges, and transmission constraints. The PACE model determines long-term (e.g., longer than 10 years) capacity expansion schedules on the basis of candidate expansion technologies and load growth estimates. In addition, the Automated Data Assembly Package (ADAP) and case management features simplify user-input requirements. The ADAP, ICARUS, and SMN modules are described in detail. The PACE module is expected to be addressed in a future publication.

  9. Combining Microbial Enzyme Kinetics Models with Light Use Efficiency Models to Predict CO2 and CH4 Ecosystem Exchange from Flooded and Drained Peatland Systems

    NASA Astrophysics Data System (ADS)

    Oikawa, P. Y.; Jenerette, D.; Knox, S. H.; Sturtevant, C. S.; Verfaillie, J. G.; Baldocchi, D. D.

    2014-12-01

    Under California's Cap-and-Trade program, companies are looking to invest in land-use practices that will reduce greenhouse gas (GHG) emissions. The Sacramento-San Joaquin River Delta is a drained cultivated peatland system and a large source of CO2. To slow soil subsidence and reduce CO2 emissions, there is growing interest in converting drained peatlands to wetlands. However, wetlands are large sources of CH4 that could offset CO2-based GHG reductions. The goal of our research is to provide accurate measurements and model predictions of the changes in GHG budgets that occur when drained peatlands are restored to wetland conditions. We have installed a network of eddy covariance towers across multiple land use types in the Delta and have been measuring CO2 and CH4 ecosystem exchange for multiple years. In order to upscale these measurements through space and time we are using these data to parameterize and validate a process-based biogeochemical model. To predict gross primary productivity (GPP), we are using a simple light use efficiency (LUE) model which requires estimates of light, leaf area index and air temperature and can explain 90% of the observed variation in GPP in a mature wetland. To predict ecosystem respiration we have adapted the Dual Arrhenius Michaelis-Menten (DAMM) model. The LUE-DAMM model allows accurate simulation of half-hourly net ecosystem exchange (NEE) in a mature wetland (r2=0.85). We are working to expand the model to pasture, rice and alfalfa systems in the Delta. To predict methanogenesis, we again apply a modified DAMM model, using simple enzyme kinetics. However CH4 exchange is complex and we have thus expanded the model to predict not only microbial CH4 production, but also CH4 oxidation, CH4 storage and the physical processes regulating the release of CH4 to the atmosphere. The CH4-DAMM model allows accurate simulation of daily CH4 ecosystem exchange in a mature wetland (r2=0.55) and robust estimates of annual CH4 budgets. The LUE

  10. Subtle exchange model of flow depended on the blood cell shape to enhance the micro-circulation in capillary

    NASA Astrophysics Data System (ADS)

    Chan, Iatneng

    2012-02-01

    In general the exchange of gases or other material in capillary system is conceptualized by the diffusion effect. But in this model, we investigate a micro-flow pattern by simulation and computation on a micro-exchange model in which the blood cell is a considered factor, especially on its shape. It shows that the cell benefits the circulation while it is moving in the capillary. In the study, the flow detail near the cell surface is mathematically analyzed, such that the Navier-Stokes equations are applied and the viscous factor is also briefly considered. For having a driven force to the motion of micro-circulation, a breathing mode is suggested to approximately compute on the flow rate in the blood capillary during the transfer of cell. The rate is also used to estimate the enhancement to the circulation in additional to the outcome of diffusion. Moreover in the research, the shape change of capillary wall under pressure influence is another element in the beginning calculation for the effect in the assistance to cell motion.

  11. Dynamics of energy exchange in model samples subjected to elastic and electromagnetic impacts

    NASA Astrophysics Data System (ADS)

    Avagimov, A. A.; Zeigarnik, V. A.; Okunev, V. I.

    2011-10-01

    The effects of elastic and electromagnetic (EM) fields are studied as an additional factor of energy exchange in the process of the deformation of a heterogeneous medium. The threshold value of initiating energy, Ktr( kp), relative to the current relaxation process is quantitatively estimated. It is shown that the estimated energy impacts below the threshold can initiate relaxation of local structural stresses and, thus, reduce the risk of a macrofracture. In a seismically active region, a similar scenario of initiation of dynamic development is considered in the local zones of potential sources of earthquakes. The possibility to determine the location, the time, and the intensity of the initiating EM impact is considered. From the experiments, the coefficient of electromechanical conversion is calculated.

  12. Carbon mass-balance modeling and carbon isotope exchange processes in the Curonian Lagoon

    NASA Astrophysics Data System (ADS)

    Barisevičiūtė, Rūta; Žilius, Mindaugas; Ertürk, Ali; Petkuvienė, Jolita

    2016-04-01

    The Curonian lagoon one of the largest coastal lagoons in Europe is located in the southeastern part of the Baltic Sea and lies along the Baltic coast of Lithuania and the Kaliningrad region of Russia. It is influenced by a discharge of the Nemunas and other smaller rivers and saline water of the Baltic Sea. The narrow (width 0.4 km, deep 8-14 m) Klaipėda Strait is the only way for fresh water run-off and brackish water intrusions. This research is focused on carbon isotope fractionations related with air - water exchange, primary production and organic carbon sedimentation, mineralization and uptake from both marine and terrestrial sources.

  13. Delta excitations and shell-model information in heavy-ion, charge-exchange reactions

    NASA Technical Reports Server (NTRS)

    Deutchman, P. A.; Maung, K. M.; Norbury, J. W.; Rasmussen, J. O.; Townsend, L. W.

    1986-01-01

    We calculate total cross sections for coherent pion production using localized plane-wave approximations for the shell-structure of valence nucleons that are excited to delta particles in the intermediate state in the (12C, 12B) and (12C, 12N) charge-exchange, heavy-ion reactions. We find comparable agreement to projectile downshift data for 12C(12C, 12B)12N. Then we improve the formalism by replacing the localized plane wave bound states with harmonic oscillator states which are imbedded in a multipole expansion approach and calculate pion differential cross sections to test for the sensitivity of the spectra to the single-particle mass parameter.

  14. Using Light-Use and Production Efficiency Models to Predict Photosynthesis and Net Carbon Exchange During Forest Canopy Disturbance

    SciTech Connect

    Cook, Bruce D.; Bolstad, Paul V.; Martin, Jonathan G.; Heinsch, Faith A.; Davis, Kenneth J.; Wang, Weiguo; Desai, Ankur R.; Teclaw, Ron

    2007-11-13

    Vegetation growth models have been coupled with data from remotely sensed imagery and surface meteorological networks to monitor terrestrial production and ecosystem-atmosphere carbon exchange across a wide range of spatial and temporal scales (e.g., MODIS, CASA, GLO-PEM). Many of these diagnostic models are based on a light-use efficiency equation and two-component model of whole-plant growth and maintenance respiration, which have been parameterized for functionally distinct vegetation types and biomes. This study was designed to assess the robustness of these parameters for predicting interannual plant growth and carbon exchange, and more specifically, to address inconsistencies that may arise during forest disturbances and loss of canopy foliage. A model based on the MODIS MOD17 algorithm was parameterized for a mature upland hardwood forest by inverting CO2 flux tower observations during years when the canopy was not disturbed, and used to make predictions during a year when the canopy was 37% defoliated by forest tent caterpillars. To accurately capture interannual variability during all years, algorithms needed to be modified to scale for the effects of diffuse radiation and loss of leaf area. Photosynthesis and respiration model parameters were found to be robust at daily and annual time scales, and differences in net ecosystem production in the presence and absence of large numbers of defoliating insects was approximately 2 g C m-2 d-1 and <23 g C m-2 y-1. Canopy disturbance events such as insect defoliations are common in temperate forests of North America, and failure to account for cyclical outbreaks of forest tent caterpillars in this stand could add an uncertainty of approximately 4 to 13% in long-term predictions of carbon sequestration.

  15. Gas exchange by intratracheal insufflation in a ventilatory failure dog model.

    PubMed Central

    Gavriely, N; Eckmann, D; Grotberg, J B

    1992-01-01

    Respiratory insufficiency patients who need only partial ventilatory support are, nevertheless, intubated and connected to a respirator. In search of a partial respiratory assistance method we evaluated the gas exchange, mechanisms, and hemodynamic effects of intratracheal insufflation (ITI) via a narrow (0.2-cm) catheter. The effects of flow rate (0.05-0.2 liter/min per kg), catheter tip position (carina, bronchus, and trachea), and superimposed chest vibration at 22 Hz were studied in seven anesthetized and partially paralyzed dogs. ITI in the carina induced CO2 removal (VCO2) of 48 +/- 16 ml/min in the periods between breaths, which was 39% of the control VCO2. CO2 removal rates between breaths with ITI in a bronchus and in the trachea were 63 and 28% of control, respectively (P < 0.05). ITI at 0.15-0.2 liter/min per kg augmented total VCO2 by > 50% over control (P < 0.05) and decreased PaCO2 by 10% (P < 0.05) despite a 28% fall in VE and 32% lower work of breathing (P < 0.05). Adding vibration to ITI at 0.15 liter/min per kg induced VCO2 of 162 +/- 34 ml/min, which was significantly greater than control, while PaCO2 fell from 69 +/- 24 to 47 +/- 6 mmHg (P < 0.05), despite complete cessation of spontaneous breathing. ITI with or without vibration did not cause any hemodynamic changes, except for a fall in the shunt fraction from 14.6 +/- 9.9% to 5.8 +/- 2.8% with vibration. Thus, ITI at low flow rates can support respiration with no hemodynamic side effects. Adding chest vibration further enhances gas exchange and can provide total ventilation. Images PMID:1469093

  16. Modeling the magnetospheric X-ray emission from solar wind charge exchange with verification from XMM-Newton observations

    NASA Astrophysics Data System (ADS)

    Whittaker, Ian C.; Sembay, Steve; Carter, Jennifer A.; Read, Andrew M.; Milan, Steve E.; Palmroth, Minna

    2016-05-01

    An MHD-based model of terrestrial solar wind charge exchange (SWCX) is created and compared to 19 case study observations in the 0.5-0.7 keV emission band taken from the European Photon Imaging Cameras on board XMM-Newton. This model incorporates the Global Unified Magnetosphere-Ionosphere Coupling Simulation-4 MHD code and produces an X-ray emission datacube from O7+ and O8+ emission lines around the Earth using in situ solar wind parameters as the model input. This study details the modeling process and shows that fixing the oxygen abundances to a constant value reduces the variance when comparing to the observations, at the cost of a small accuracy decrease in some cases. Using the ACE oxygen data returns a wide ranging accuracy, providing excellent correlation in a few cases and poor/anticorrelation in others. The sources of error for any user wishing to simulate terrestrial SWCX using an MHD model are described here and include mask position, hydrogen to oxygen ratio in the solar wind, and charge state abundances. A dawn-dusk asymmetry is also found, similar to the results of empirical modeling. Using constant oxygen parameters, magnitudes approximately double that of the observed count rates are returned. A high accuracy is determined between the model and observations when comparing the count rate difference between enhanced SWCX and quiescent periods.

  17. Effects of the turnover rate on the size distribution of firms: An application of the kinetic exchange models

    NASA Astrophysics Data System (ADS)

    Chakrabarti, Anindya S.

    2012-12-01

    We address the issue of the distribution of firm size. To this end we propose a model of firms in a closed, conserved economy populated with zero-intelligence agents who continuously move from one firm to another. We then analyze the size distribution and related statistics obtained from the model. There are three well known statistical features obtained from the panel study of the firms i.e., the power law in size (in terms of income and/or employment), the Laplace distribution in the growth rates and the slowly declining standard deviation of the growth rates conditional on the firm size. First, we show that the model generalizes the usual kinetic exchange models with binary interaction to interactions between an arbitrary number of agents. When the number of interacting agents is in the order of the system itself, it is possible to decouple the model. We provide exact results on the distributions which are not known yet for binary interactions. Our model easily reproduces the power law for the size distribution of firms (Zipf’s law). The fluctuations in the growth rate falls with increasing size following a power law (though the exponent does not match with the data). However, the distribution of the difference of the firm size in this model has Laplace distribution whereas the real data suggests that the difference of the log of sizes has the same distribution.

  18. Pharmacophore modeling, virtual screening and 3D-QSAR studies of 5-tetrahydroquinolinylidine aminoguanidine derivatives as sodium hydrogen exchanger inhibitors.

    PubMed

    Bhatt, Hardik G; Patel, Paresh K

    2012-06-01

    Sodium hydrogen exchanger (SHE) inhibitor is one of the most important targets in treatment of myocardial ischemia. In the course of our research into new types of non-acylguanidine, SHE inhibitory activities of 5-tetrahydroquinolinylidine aminoguanidine derivatives were used to build pharmacophore and 3D-QSAR models. Genetic Algorithm Similarity Program (GASP) was used to derive a 3D pharmacophore model which was used in effective alignment of data set. Eight molecules were selected on the basis of structure diversity to build 10 different pharmacophore models. Model 1 was considered as the best model as it has highest fitness score compared to other nine models. The obtained model contained two acceptor sites, two donor atoms and one hydrophobic region. Pharmacophore modeling was followed by substructure searching and virtual screening. The best CoMFA model, representing steric and electrostatic fields, obtained for 30 training set molecules was statistically significant with cross-validated coefficient (q(2)) of 0.673 and conventional coefficient (r(2)) of 0.988. In addition to steric and electrostatic fields observed in CoMFA, CoMSIA also represents hydrophobic, hydrogen bond donor and hydrogen bond acceptor fields. CoMSIA model was also significant with cross-validated coefficient (q(2)) and conventional coefficient (r(2)) of 0.636 and 0.986, respectively. Both models were validated by an external test set of eight compounds and gave satisfactory prediction (r(pred)(2)) of 0.772 and 0.701 for CoMFA and CoMSIA models, respectively. This pharmacophore based 3D-QSAR approach provides significant insights that can be used to design novel, potent and selective SHE inhibitors. PMID:22546667

  19. A theoretical model of the influence of spray on the exchange of momentum, with storm and hurricane winds

    NASA Astrophysics Data System (ADS)

    Troitskaya, Yuliya; Ezhova, Ekaterina; Soustova, Irina

    2013-04-01

    A stochastic model of the "life cycle" of a droplet, the torn off the crest of a steep surface wave and then falling down to the water is constructed. The model includes the following constituents: i) a model of motion of a heavy particle in the forcing air flow (equation of motion), ii) a model of the wind flow (wind velocity, wave-induced disturbances, turbulent fluctuations), iii) a model of spray injection, iiii) the droplet statistics (size distribution, wind-speed dependence) The interaction of water droplets in the atmospheric boundary layer with turbulent fluctuations is described in terms of the Markovian chain. The mean wind field in the marine atmospheric boundary layer is determined by the momentum exchange associated with the turbulent and wave momentum transfer and by sprays. The wave and turbulent momentum exchange is parameterized by the Charnok expression for the roughness parameter. Wave disturbances induced in the air flow by waves at the surface, were calculated within the model of the marine atmospheric boundary suggested in [1]. The greatest uncertainty in this model is the mechanism of droplets injection. We consider two models for the injection of droplets in the air flow. In the first model the droplets formed by the development of the Kelvin-Helmholtz instability, are entered in the flow with the orbital velocity of the wave (Koga's model [2]), The second mechanism, investigated in many papers, considers droplets from the breakdown of a jet which rises at high speeds from the bottom of the collapsing air bubble cavity [3]. To determine the number of drops injected to the atmospheric boundary layer from the sea surface, the Spray generation function proposed in [4] was in use. Within the model the momentum acquired by every droplet in the interaction with the air flow was calculated. Depending on the particular field of air velocity, wave parameters and the radius of the droplet, it can both get and deliver momentum give impetus to the air

  20. A Review of the Experimental and Modeling Development of a Water Phase Change Heat Exchanger for Future Exploration Support Vehicles

    NASA Technical Reports Server (NTRS)

    Cognata, Thomas; Leimkuehler, Thomas; Ramaswamy, Balasubramaniam; Nayagam, Vedha; Hasan, Mohammad; Stephan, Ryan

    2011-01-01

    Water affords manifold benefits for human space exploration. Its properties make it useful for the storage of thermal energy as a Phase Change Material (PCM) in thermal control systems, in radiation shielding against Solar Particle Events (SPE) for the protection of crew members, and it is indisputably necessary for human life support. This paper envisions a single application for water which addresses these benefits for future exploration support vehicles and it describes recent experimental and modeling work that has been performed in order to arrive at a description of the thermal behavior of such a system. Experimental units have been developed and tested which permit the evaluation of the many parameters of design for such a system with emphasis on the latent energy content, temperature rise, mass, and interstitial material geometry. The experimental results are used to develop a robust and well correlated model which is intended to guide future design efforts toward the multi-purposed water PCM heat exchanger envisioned.

  1. Charged-current inclusive neutrino cross sections in the superscaling model including quasielastic, pion production and meson-exchange contributions

    NASA Astrophysics Data System (ADS)

    Ivanov, M. V.; Megias, G. D.; González-Jiménez, R.; Moreno, O.; Barbaro, M. B.; Caballero, J. A.; Donnelly, T. W.

    2016-08-01

    Charged current inclusive neutrino-nucleus cross sections are evaluated using the superscaling model for quasielastic scattering and its extension to the pion production region. The contribution of two-particle-two-hole vector meson-exchange current excitations is also considered within a fully relativistic model tested against electron scattering data. The results are compared with the inclusive neutrino-nucleus data from the T2K and SciBooNE experiments. For experiments where < {E}ν > ∼ 0.8 {{GeV}}, the three mechanisms considered in this work provide good agreement with the data. However, when the neutrino energy is larger, effects from beyond the Δ also appear to be playing a role. The results show that processes induced by vector two-body currents play a minor role in the inclusive cross sections at the kinematics considered.

  2. Assessment of model estimates of land-atmosphere CO2 exchange across Northern Eurasia

    SciTech Connect

    Rawlins, M. A.; McGuire, A. D.; Kimball, J. S.; Dass, P.; Lawrence, D.; Burke, E.; Chen, X.; Delire, C.; Koven, C.; MacDougall, A.; Peng, S.; Rinke, A.; Saito, K.; Zhang, W.; Alkama, R.; Bohn, T. J.; Ciais, P.; Decharme, B.; Gouttevin, I.; Hajima, T.; Ji, D.; Krinner, G.; Lettenmaier, D. P.; Miller, P.; Moore, J. C.; Smith, B.; Sueyoshi, T.

    2015-07-28

    A warming climate is altering land-atmosphere exchanges of carbon, with a potential for increased vegetation productivity as well as the mobilization of permafrost soil carbon stores. Here we investigate land-atmosphere carbon dioxide (CO2) cycling through analysis of net ecosystem productivity (NEP) and its component fluxes of gross primary productivity (GPP) and ecosystem respiration (ER) and soil carbon residence time, simulated by a set of land surface models (LSMs) over a region spanning the drainage basin of Northern Eurasia. The retrospective simulations cover the period 1960–2009 at 0.5° resolution, which is a scale common among many global carbon and climate model simulations. Model performance benchmarks were drawn from comparisons against both observed CO2 fluxes derived from site-based eddy covariance measurements as well as regional-scale GPP estimates based on satellite remote-sensing data. The site-based comparisons depict a tendency for overestimates in GPP and ER for several of the models, particularly at the two sites to the south. For several models the spatial pattern in GPP explains less than half the variance in the MODIS MOD17 GPP product. Across the models NEP increases by as little as 0.01 to as much as 0.79 g C m⁻² yr⁻², equivalent to 3 to 340 % of the respective model means, over the analysis period. For the multimodel average the increase is 135 % of the mean from the first to last 10 years of record (1960–1969 vs. 2000–2009), with a weakening CO2 sink over the latter decades. Vegetation net primary productivity increased by 8 to 30 % from the first to last 10 years, contributing to soil carbon storage gains. The range in regional mean NEP among the group is twice the multimodel mean, indicative of the uncertainty in CO2 sink strength. The models simulate that inputs to the soil carbon pool exceeded losses, resulting in a net soil carbon gain amid a decrease in residence time. Our

  3. Sensitivity analysis of a model of CO{sub 2} exchange in tundra ecosystems by the adjoint method

    SciTech Connect

    Waelbroeck, C.; Louis, J.F.

    1995-02-20

    A model of net primary production (NPP), decomposition, and nitrogen cycling in tundra ecosystems has been developed. The adjoint technique is used to study the sensitivity of the computed annual net CO{sub 2} flux to perturbations in initial conditions, climatic inputs, and model`s main parameters describing current seasonal CO{sub 2} exchange in wet sedge tundra at Barrow, Alaska. The results show that net CO{sub 2} flux is more sensitive to decomposition parameters than to NPP parameters. This underlines the fact that in nutrient-limited ecosystems, decomposition drives net CO{sub 2} exchange by controlling mineralization of main nutrients. The results also indicate that the short-term (1 year) response of wet sedge tundra to CO{sub 2}-induced warming is a significant increase in CO{sub 2} emission, creating a positive feedback to atmospheric CO{sub 2} accumulation. However, a cloudiness increase during the same year can severely alter this response and lead to either a slight decrease or a strong increase in emitted CO{sub 2}, depending on its exact timing. These results demonstrate that the adjoint method is well suited to study systems encountering regime changes, as a single run of the adjoint model provides sensitivities of the net CO{sub 2} flux to perturbations in all parameters and variables at any time of the year. Moreover, it is shown that large errors due to the presence of thresholds can be avoided by first delimiting the range of applicability of the adjoint results. 38 refs., 10 figs., 7 tabs.

  4. Measurement of air-surface exchange of speciated nitrogen and sulfur compounds using a modified MARGA 2S: ? Concentrations and fluxes above a grass field

    EPA Science Inventory

    Improved measurement methods are needed to characterize dry deposition of sulfur and nitrogen compounds to assess ecosystem exposure to nutrients and acidifying compounds and to develop atmospheric deposition budgets in support of critical loads assessments. The purpose of this s...

  5. Measurement of air-surface exchange of speciated nitrogen and sulfur compounds using a modified MARGA 2S: Assessment and control of data quality

    EPA Science Inventory

    Improved measurement methods are needed to characterize dry deposition of sulfur and nitrogen compounds to assess ecosystem exposure to nutrients and acidifying compounds and to develop atmospheric deposition budgets in support of critical loads assessments. The purpose of this ...

  6. Proton exchange membrane fuel cell model for aging predictions: Simulated equivalent active surface area loss and comparisons with durability tests

    NASA Astrophysics Data System (ADS)

    Robin, C.; Gérard, M.; Quinaud, M.; d'Arbigny, J.; Bultel, Y.

    2016-09-01

    The prediction of Proton Exchange Membrane Fuel Cell (PEMFC) lifetime is one of the major challenges to optimize both material properties and dynamic control of the fuel cell system. In this study, by a multiscale modeling approach, a mechanistic catalyst dissolution model is coupled to a dynamic PEMFC cell model to predict the performance loss of the PEMFC. Results are compared to two 2000-h experimental aging tests. More precisely, an original approach is introduced to estimate the loss of an equivalent active surface area during an aging test. Indeed, when the computed Electrochemical Catalyst Surface Area profile is fitted on the experimental measures from Cyclic Voltammetry, the computed performance loss of the PEMFC is underestimated. To be able to predict the performance loss measured by polarization curves during the aging test, an equivalent active surface area is obtained by a model inversion. This methodology enables to successfully find back the experimental cell voltage decay during time. The model parameters are fitted from the polarization curves so that they include the global degradation. Moreover, the model captures the aging heterogeneities along the surface of the cell observed experimentally. Finally, a second 2000-h durability test in dynamic operating conditions validates the approach.

  7. On controllability and system constraints of the linear models of proton exchange membrane and solid oxide fuel cells

    NASA Astrophysics Data System (ADS)

    Radisavljevic, Verica

    2011-10-01

    In this paper we first show that the linear models of proton exchange membrane (polymer electrolyte membrane, PEM) and solid oxide (SO) fuel cells, commonly used in power and energy literature, are not controllable. The source of uncontrollability is the equation for pressure of the water vapor that is only affected by the fuel cell current, which in fact is a disturbance in this system and cannot be controlled by the given model inputs: inlet molar flow rates of hydrogen and oxygen. Being uncontrollable these models are not good candidates for studying control of dynamic processes in PEM and SO fuel cells. However, due to their simplicity, they can be used in hybrid configurations with other energy producing devices such as photovoltaic (solar) cells, wind turbine, micro gas turbine, battery (ultra capacitor) to demonstrate some other phenomena, but not for control purposes unless the hybrid models formed in such hybrid configurations are controllable. Testing controllability of such hybrid models is mandatory. Secondly, we introduce some algebraic constraints that follow from the model dynamics and the Nernst open-loop fuel cell voltage formula. These constraints must be satisfied in simulation of considered fuel cell modes, for example, via MATLAB/Simulink or any other computer software package.

  8. Modelling the impact of soil Carbonic Anhydrase on the net ecosystem exchange of OCS at Harvard forest using the MuSICA model

    NASA Astrophysics Data System (ADS)

    Launois, Thomas; Ogée, Jérôme; Commane, Roisin; Wehr, Rchard; Meredith, Laura; Munger, Bill; Nelson, David; Saleska, Scott; Wofsy, Steve; Zahniser, Mark; Wingate, Lisa

    2016-04-01

    The exchange of CO2 between the terrestrial biosphere and the atmosphere is driven by photosynthetic uptake and respiratory loss, two fluxes currently estimated with considerable uncertainty at large scales. Model predictions indicate that these biosphere fluxes will be modified in the future as CO2 concentrations and temperatures increase; however, it still unclear to what extent. To address this challenge there is a need for better constraints on land surface model parameterisations. Additional atmospheric tracers of large-scale CO2 fluxes have been identified as potential candidates for this task. In particular carbonyl sulphide (OCS) has been proposed as a complementary tracer of gross photosynthesis over land, since OCS uptake by plants is dominated by carbonic anhydrase (CA) activity, an enzyme abundant in leaves that catalyses CO2 hydration during photosynthesis. However, although the mass budget at the ecosystem is dominated by the flux of OCS into leaves, some OCS is also exchanged between the atmosphere and the soil and this component of the budget requires constraining. In this study, we adapted the process-based isotope-enabled model MuSICA (Multi-layer Simulator of the Interactions between a vegetation Canopy and the Atmosphere) to include the transport, reaction, diffusion and production of OCS within a forested ecosystem. This model was combined with 3 years (2011-2013) of in situ measurements of OCS atmospheric concentration profiles and fluxes at the Harvard Forest (Massachussets, USA) to test hypotheses on the mechanisms responsible for CA-driven uptake by leaves and soils as well as possible OCS emissions during litter decomposition. Model simulations over the three years captured well the impact of diurnally and seasonally varying environmental conditions on the net ecosystem OCS flux. A sensitivity analysis on soil CA activity and soil OCS emission rates was also performed to quantify their impact on the vertical profiles of OCS inside the

  9. Semiparametric Bayesian commensurate survival model for post-market medical device surveillance with non-exchangeable historical data.

    PubMed

    Murray, Thomas A; Hobbs, Brian P; Lystig, Theodore C; Carlin, Bradley P

    2014-03-01

    Trial investigators often have a primary interest in the estimation of the survival curve in a population for which there exists acceptable historical information from which to borrow strength. However, borrowing strength from a historical trial that is non-exchangeable with the current trial can result in biased conclusions. In this article we propose a fully Bayesian semiparametric method for the purpose of attenuating bias and increasing efficiency when jointly modeling time-to-event data from two possibly non-exchangeable sources of information. We illustrate the mechanics of our methods by applying them to a pair of post-market surveillance datasets regarding adverse events in persons on dialysis that had either a bare metal or drug-eluting stent implanted during a cardiac revascularization surgery. We finish with a discussion of the advantages and limitations of this approach to evidence synthesis, as well as directions for future work in this area. The article's Supplementary Materials offer simulations to show our procedure's bias, mean squared error, and coverage probability properties in a variety of settings. PMID:24308779

  10. Semiparametric Bayesian commensurate survival model for post-market medical device surveillance with non-exchangeable historical data.

    PubMed

    Murray, Thomas A; Hobbs, Brian P; Lystig, Theodore C; Carlin, Bradley P

    2014-03-01

    Trial investigators often have a primary interest in the estimation of the survival curve in a population for which there exists acceptable historical information from which to borrow strength. However, borrowing strength from a historical trial that is non-exchangeable with the current trial can result in biased conclusions. In this article we propose a fully Bayesian semiparametric method for the purpose of attenuating bias and increasing efficiency when jointly modeling time-to-event data from two possibly non-exchangeable sources of information. We illustrate the mechanics of our methods by applying them to a pair of post-market surveillance datasets regarding adverse events in persons on dialysis that had either a bare metal or drug-eluting stent implanted during a cardiac revascularization surgery. We finish with a discussion of the advantages and limitations of this approach to evidence synthesis, as well as directions for future work in this area. The article's Supplementary Materials offer simulations to show our procedure's bias, mean squared error, and coverage probability properties in a variety of settings.

  11. Experimental and numerical study of nanofluid in heat exchanger fitted by modified twisted tape: exergy analysis and ANN prediction model

    NASA Astrophysics Data System (ADS)

    Maddah, Heydar; Ghasemi, Nahid; Keyvani, Bahram; Cheraghali, Ramin

    2016-09-01

    Present study provides an experimental investigation of the exergetic efficiency due to the flow and heat transfer of nanofluids in different geometries and flow regimes of the double pipe heat exchangers. The experiments with different Geometrical Progression Ratio (GPR) of twists as the new modified twisted tapes and different nanofluid concentration were performed under similar operation condition. Pitch length of the proposed twisted tapes and consequently the twist ratios changed along the twists with respect to the Geometrical Progression Ratio (GPR) whether reducer (RGPR < 1) or increaser (IGPR > 1). Regarding the experimental data, utilization of RGPR twists together with nanofluids tends to increase exergetic efficiency. Since the Prediction of exergetic efficiency from experimental process is complex and time consuming, artificial neural networks for identification of the relationship, which may exist between the thermal and flow parameters and exergetic efficiency, have been utilized. The network input consists of five parameters (Re,Pr ,φ, Tr, GPR) that crucially dominate the heat transfer process. The results proved that the introduced ANN model is reliable and capable in proposing a proper development plan for a heat exchanger and/or to determine the optimal plan of operation for heat transfer process.

  12. Semiparametric Bayesian commensurate survival model for post-market medical device surveillance with non-exchangeable historical data

    PubMed Central

    Murray, Thomas A.; Hobbs, Brian P.; Lystig, Theodore C.; Carlin, Bradley P.

    2013-01-01

    Summary Trial investigators often have a primary interest in the estimation of the survival curve in a population for which there exists acceptable historical information from which to borrow strength. However, borrowing strength from a historical trial that is non-exchangeable with the current trial can result in biased conclusions. In this paper we propose a fully Bayesian semiparametric method for the purpose of attenuating bias and increasing efficiency when jointly modeling time-to-event data from two possibly non-exchangeable sources of information. We illustrate the mechanics of our methods by applying them to a pair of post-market surveillance datasets regarding adverse events in persons on dialysis that had either a bare metal or drug-eluting stent implanted during a cardiac revascularization surgery. We finish with a discussion of the advantages and limitations of this approach to evidence synthesis, as well as directions for future work in this area. The paper’s Supplementary Materials offer simulations to show our procedure’s bias, mean squared error, and coverage probability properties in a variety of settings. PMID:24308779

  13. Chemical fractionation and speciation modelling for optimization of ion-exchange processes to recover palladium from industrial wastewater.

    PubMed

    Folens, K; Van Hulle, S; Vanhaecke, F; Du Laing, G

    2016-01-01

    Palladium is used in several industrial applications and, given its high intrinsic value, intense efforts are made to recover the element. In this hydrometallurgic perspective, ion-exchange (IEX) technologies are principal means. Yet, without incorporating the chemical and physical properties of the Pd present in real, plant-specific conditions, the recovery cannot reach its technical nor economic optimum. This study characterized a relevant Pd-containing waste stream of a mirror manufacturer to provide input for a speciation model, predicting the Pd speciation as a function of pH and chloride concentration. Besides the administered neutral PdCl2 form, both positively and negatively charged [PdCln](2-n) species occur depending on the chloride concentration in solution. Purolite C100 and Relite 2AS IEX resins were selected and applied in combination with other treatment steps to optimize the Pd recovery. A combination of the cation and anion exchange resins was found successful to quantitatively recover Pd. Given the fact that Pd was also primarily associated with particles, laboratory-scale experiments focused on physical removal of the Pd-containing flow were conducted, which showed that particle-bound Pd can already be removed by physical pre-treatment prior to IEX, while the ionic fraction remains fully susceptible to the IEX mechanism. PMID:27054747

  14. Chemical fractionation and speciation modelling for optimization of ion-exchange processes to recover palladium from industrial wastewater.

    PubMed

    Folens, K; Van Hulle, S; Vanhaecke, F; Du Laing, G

    2016-01-01

    Palladium is used in several industrial applications and, given its high intrinsic value, intense efforts are made to recover the element. In this hydrometallurgic perspective, ion-exchange (IEX) technologies are principal means. Yet, without incorporating the chemical and physical properties of the Pd present in real, plant-specific conditions, the recovery cannot reach its technical nor economic optimum. This study characterized a relevant Pd-containing waste stream of a mirror manufacturer to provide input for a speciation model, predicting the Pd speciation as a function of pH and chloride concentration. Besides the administered neutral PdCl2 form, both positively and negatively charged [PdCln](2-n) species occur depending on the chloride concentration in solution. Purolite C100 and Relite 2AS IEX resins were selected and applied in combination with other treatment steps to optimize the Pd recovery. A combination of the cation and anion exchange resins was found successful to quantitatively recover Pd. Given the fact that Pd was also primarily associated with particles, laboratory-scale experiments focused on physical removal of the Pd-containing flow were conducted, which showed that particle-bound Pd can already be removed by physical pre-treatment prior to IEX, while the ionic fraction remains fully susceptible to the IEX mechanism.

  15. The use of laboratory-determined ion exchange parameters in the predictive modelling of field-scale major cation migration in groundwater over a 40-year period.

    PubMed

    Carlyle, Harriet F; Tellam, John H; Parker, Karen E

    2004-01-01

    An attempt has been made to estimate quantitatively cation concentration changes as estuary water invades a Triassic Sandstone aquifer in northwest England. Cation exchange capacities and selectivity coefficients for Na(+), K(+), Ca(2+), and Mg(2+) were measured in the laboratory using standard techniques. Selectivity coefficients were also determined using a method involving optimized back-calculation from flushing experiments, thus permitting better representation of field conditions; in all cases, the Gaines-Thomas/constant cation exchange capacity (CEC) model was found to be a reasonable, though not perfect, first description. The exchange parameters interpreted from the laboratory experiments were used in a one-dimensional reactive transport mixing cell model, and predictions compared with field pumping well data (Cl and hardness spanning a period of around 40 years, and full major ion analyses in approximately 1980). The concentration patterns predicted using Gaines-Thomas exchange with calcite equilibrium were similar to the observed patterns, but the concentrations of the divalent ions were significantly overestimated, as were 1980 sulphate concentrations, and 1980 alkalinity concentrations were underestimated. Including representation of sulphate reduction in the estuarine alluvium failed to replicate 1980 HCO(3) and pH values. However, by including partial CO(2) degassing following sulphate reduction, a process for which there is 34S and 18O evidence from a previous study, a good match for SO(4), HCO(3), and pH was attained. Using this modified estuary water and averaged values from the laboratory ion exchange parameter determinations, good predictions for the field cation data were obtained. It is concluded that the Gaines-Thomas/constant exchange capacity model with averaged parameter values can be used successfully in ion exchange predictions in this aquifer at a regional scale and over extended time scales, despite the numerous assumptions inherent in

  16. The use of laboratory-determined ion exchange parameters in the predictive modelling of field-scale major cation migration in groundwater over a 40-year period.

    PubMed

    Carlyle, Harriet F; Tellam, John H; Parker, Karen E

    2004-01-01

    An attempt has been made to estimate quantitatively cation concentration changes as estuary water invades a Triassic Sandstone aquifer in northwest England. Cation exchange capacities and selectivity coefficients for Na(+), K(+), Ca(2+), and Mg(2+) were measured in the laboratory using standard techniques. Selectivity coefficients were also determined using a method involving optimized back-calculation from flushing experiments, thus permitting better representation of field conditions; in all cases, the Gaines-Thomas/constant cation exchange capacity (CEC) model was found to be a reasonable, though not perfect, first description. The exchange parameters interpreted from the laboratory experiments were used in a one-dimensional reactive transport mixing cell model, and predictions compared with field pumping well data (Cl and hardness spanning a period of around 40 years, and full major ion analyses in approximately 1980). The concentration patterns predicted using Gaines-Thomas exchange with calcite equilibrium were similar to the observed patterns, but the concentrations of the divalent ions were significantly overestimated, as were 1980 sulphate concentrations, and 1980 alkalinity concentrations were underestimated. Including representation of sulphate reduction in the estuarine alluvium failed to replicate 1980 HCO(3) and pH values. However, by including partial CO(2) degassing following sulphate reduction, a process for which there is 34S and 18O evidence from a previous study, a good match for SO(4), HCO(3), and pH was attained. Using this modified estuary water and averaged values from the laboratory ion exchange parameter determinations, good predictions for the field cation data were obtained. It is concluded that the Gaines-Thomas/constant exchange capacity model with averaged parameter values can be used successfully in ion exchange predictions in this aquifer at a regional scale and over extended time scales, despite the numerous assumptions inherent in

  17. Modeling daily gas exchange of a Douglas-fir forest: comparison of three stomatal conductance models with and without a soil water stress function.

    PubMed

    Van Wijk, M. T.; Dekker, S. C.; Bouten, W.; Bosveld, F. C.; Kohsiek, W.; Kramer, K.; Mohren, G. M. J.

    2000-01-01

    Modeling stomatal conductance is a key element in predicting tree growth and water use at the stand scale. We compared three commonly used models of stomatal conductance, the Jarvis-Loustau, Ball-Berry and Leuning models, for their suitability for incorporating soil water stress into their formulation, and for their performance in modeling forest ecosystem fluxes. We optimized the parameters of each of the three models with sap flow and soil water content data. The optimized Ball-Berry model showed clear relationships with air temperature and soil water content, whereas the optimized Leuning and Jarvis-Loustau models only showed a relationship with soil water content. We conclude that use of relative humidity instead of vapor pressure deficit, as in the Ball-Berry model, is not suitable for modeling daily gas exchange in Douglas-fir (Pseudotsuga menziesii (Mirb.) Franco) in the Speulderbos forest near the village of Garderen, The Netherlands. Based on the calculated responses to soil water content, we linked a model of forest growth, FORGRO, with a model of soil water, SWIF, to obtain a forest water-balance model that satisfactorily simulated carbon and water (transpiration) fluxes and soil water contents in the Douglas-fir forest for 1995.

  18. A model-data intercomparison of CO2 exchange across North America: Results from the North American Carbon Program site synthesis

    SciTech Connect

    Schwalm, Christopher R.; Williams, Christopher A.; Schaefer, Kevin; Anderson, Ryan; Arain, A.; Baker, Ian; Lokupitiya, Erandathie; Barr, Alan; Black, T. A.; Gu, Lianhong; Riciutto, Dan M.

    2010-12-01

    Our current understanding of terrestrial carbon processes is represented in various models used to integrate and scale measurements of CO2 exchange from remote sensing and other spatiotemporal data. Yet assessments are rarely conducted to determine how well models simulate carbon processes across vegetation types and environmental conditions. Using standardized data from the North American Carbon Program we compare observed and simulated monthly CO2 exchange from 44 eddy covariance flux towers in North America and 22 terrestrial biosphere models. The analysis period spans 220 site-years, 10 biomes, and includes two large-scale drought events, providing a natural experiment to evaluate model skill as a function of drought and seasonality. We evaluate models' ability to simulate the seasonal cycle of CO2 exchange using multiple model skill metrics and analyze links between model characteristics, site history, and model skill. Overall model performance was poor; the difference between observations and simulations was 10 times observational uncertainty, with forested ecosystems better predicted than nonforested. Model-data agreement was highest in summer and in temperate evergreen forests. In contrast, model performance declined in spring and fall, especially in ecosystems with large deciduous components, and in dry periods during the growing season. Models used across multiple biomes and sites, the mean model ensemble, and a model using assimilated parameter values showed high consistency with observations. Models with the highest skill across all biomes all used prescribed canopy phenology, calculated NEE as the difference between GPP and ecosystem respiration, and did not use a daily time step.

  19. Network impact on persistence in a finite population dynamic diffusion model: application to an emergent seed exchange network.

    PubMed

    Barbillon, Pierre; Thomas, Mathieu; Goldringer, Isabelle; Hospital, Frédéric; Robin, Stéphane

    2015-01-21

    Dynamic extinction colonisation models (also called contact processes) are widely studied in epidemiology and in metapopulation theory. Contacts are usually assumed to be possible only through a network of connected patches. This network accounts for a spatial landscape or a social organization of interactions. Thanks to social network literature, heterogeneous networks of contacts can be considered. A major issue is to assess the influence of the network in the dynamic model. Most work with this common purpose uses deterministic models or an approximation of a stochastic Extinction-Colonisation model (sEC) which are relevant only for large networks. When working with a limited size network, the induced stochasticity is essential and has to be taken into account in the conclusions. Here, a rigorous framework is proposed for limited size networks and the limitations of the deterministic approximation are exhibited. This framework allows exact computations when the number of patches is small. Otherwise, simulations are used and enhanced by adapted simulation techniques when necessary. A sensitivity analysis was conducted to compare four main topologies of networks in contrasting settings to determine the role of the network. A challenging case was studied in this context: seed exchange of crop species in the Réseau Semences Paysannes (RSP), an emergent French farmers׳ organisation. A stochastic Extinction-Colonisation model was used to characterize the consequences of substantial changes in terms of RSP׳s social organization on the ability of the system to maintain crop varieties.

  20. Technical note: 3-hourly temporal downscaling of monthly global terrestrial biosphere model net ecosystem exchange

    NASA Astrophysics Data System (ADS)

    Fisher, Joshua B.; Sikka, Munish; Huntzinger, Deborah N.; Schwalm, Christopher; Liu, Junjie

    2016-07-01

    The land surface provides a boundary condition to atmospheric forward and flux inversion models. These models require prior estimates of CO2 fluxes at relatively high temporal resolutions (e.g., 3-hourly) because of the high frequency of atmospheric mixing and wind heterogeneity. However, land surface model CO2 fluxes are often provided at monthly time steps, typically because the land surface modeling community focuses more on time steps associated with plant phenology (e.g., seasonal) than on sub-daily phenomena. Here, we describe a new dataset created from 15 global land surface models and 4 ensemble products in the Multi-scale Synthesis and Terrestrial Model Intercomparison Project (MsTMIP), temporally downscaled from monthly to 3-hourly output. We provide 3-hourly output for each individual model over 7 years (2004-2010), as well as an ensemble mean, a weighted ensemble mean, and the multi-model standard deviation. Output is provided in three different spatial resolutions for user preferences: 0.5° × 0.5°, 2.0° × 2.5°, and 4.0° × 5.0° (latitude × longitude). These data are publicly available from doi:10.3334/ORNLDAAC/1315.

  1. The Nordic energy market model an electricity power exchange across national borders

    SciTech Connect

    Randen, H.; Andersen, J.H.

    1998-07-01

    As a first step towards a Nordic Power Exchange the Swedish and the Norwegian electricity market were merged into one free trade area. Norwegian and Swedish participants trade on equal terms on the market. Finnish and Danish participants trade on special terms towards the common Norwegian-Swedish free trade area. Finland will be included in the free trade area in 1998. Nord Pool is responsible for two markets. The Spot Market is the Nordic market for physical delivery power. In this market participants trade power contracts for next-day delivery. A price is determined for each hour based on bids and offer from the participants. The Spot Market serves as reference price for Nord Pool's Futures and Forward Market and reference price in the bilateral wholesale market. The Futures and Forward Markets are financial markets for price hedging and risk management. Through these market the participants can hedge purchase and sale of power within a time horizon of up to three years. In the bilateral wholesale market there is a high trade activity of financial contracts that are standardized in the same manner as Nord Pools forwards. Nord Pool has therefore established a clearing service where contracts that are traded on bilateral basis can be cleared through Nord Pool and with Nord Pool as counterpart. More than 200 participants from Norway, Sweden, Finland, Denmark and England trade through Nord Pool. A general goal is to develop the market to include all four nordic countries in one common free trade area in close co-operation with the power business in the countries. There are different conditions for competition in the four countries, and much coordinating work is therefore still left to be done.

  2. The seasonal exchange of carbon dioxide between the atmosphere and the terrestrial biosphere: Extrapolation from site-specific models to regional models

    SciTech Connect

    King, A.W.; DeAngelis, D.L.; Post, W.M.

    1987-12-01

    Ecological models of the seasonal exchange of carbon dioxide (CO/sub 2/) between the atmosphere and the terrestrial biosphere are needed in the study of changes in atmospheric CO/sub 2/ concentration. In response to this need, a set of site-specific models of seasonal terrestrial carbon dynamics was assembled from open-literature sources. The collection was chosen as a base for the development of biome-level models for each of the earth's principal terrestrial biomes or vegetation complexes. The primary disadvantage of this approach is the problem of extrapolating the site-specific models across large regions having considerable biotic, climatic, and edaphic heterogeneity. Two methods of extrapolation were tested. 142 refs., 59 figs., 47 tabs

  3. Epidemic model for information diffusion in web forums: experiments in marketing exchange and political dialog.

    PubMed

    Woo, Jiyoung; Chen, Hsinchun

    2016-01-01

    As social media has become more prevalent, its influence on business, politics, and society has become significant. Due to easy access and interaction between large numbers of users, information diffuses in an epidemic style on the web. Understanding the mechanisms of information diffusion through these new publication methods is important for political and marketing purposes. Among social media, web forums, where people in online communities disseminate and receive information, provide a good environment for examining information diffusion. In this paper, we model topic diffusion in web forums using the epidemiology model, the susceptible-infected-recovered (SIR) model, frequently used in previous research to analyze both disease outbreaks and knowledge diffusion. The model was evaluated on a large longitudinal dataset from the web forum of a major retail company and from a general political discussion forum. The fitting results showed that the SIR model is a plausible model to describe the diffusion process of a topic. This research shows that epidemic models can expand their application areas to topic discussion on the web, particularly social media such as web forums.

  4. Significance of exchanging SSURGO and STATSGO data when modeling hydrology in diverse physiographic terranes

    USGS Publications Warehouse

    Williamson, Tanja N.; Taylor, Charles J.; Newson, Jeremy K.

    2013-01-01

    The Water Availability Tool for Environmental Resources (WATER) is a TOPMODEL-based hydrologic model that depends on spatially accurate soils data to function in diverse terranes. In Kentucky, this includes mountainous regions, karstic plateau, and alluvial plains. Soils data are critical because they quantify the space to store water, as well as how water moves through the soil to the stream during storm events. We compared how the model performs using two different sources of soils data--Soil Survey Geographic Database (SSURGO) and State Soil Geographic Database laboratory data (STATSGO)--for 21 basins ranging in size from 17 to 1564 km2. Model results were consistently better when SSURGO data were used, likely due to the higher field capacity, porosity, and available-water holding capacity, which cause the model to store more soil-water in the landscape and improve streamflow estimates for both low- and high-flow conditions. In addition, there were significant differences in the conductivity multiplier and scaling parameter values that describe how water moves vertically and laterally, respectively, as quantified by TOPMODEL. We also evaluated whether partitioning areas that drain to streams via sinkholes in karstic basins as separate hydrologic modeling units (HMUs) improved model performance. There were significant differences between HMUs in properties that control soil-water storage in the model, although the effect of partitioning these HMUs on streamflow simulation was inconclusive.

  5. Epidemic model for information diffusion in web forums: experiments in marketing exchange and political dialog.

    PubMed

    Woo, Jiyoung; Chen, Hsinchun

    2016-01-01

    As social media has become more prevalent, its influence on business, politics, and society has become significant. Due to easy access and interaction between large numbers of users, information diffuses in an epidemic style on the web. Understanding the mechanisms of information diffusion through these new publication methods is important for political and marketing purposes. Among social media, web forums, where people in online communities disseminate and receive information, provide a good environment for examining information diffusion. In this paper, we model topic diffusion in web forums using the epidemiology model, the susceptible-infected-recovered (SIR) model, frequently used in previous research to analyze both disease outbreaks and knowledge diffusion. The model was evaluated on a large longitudinal dataset from the web forum of a major retail company and from a general political discussion forum. The fitting results showed that the SIR model is a plausible model to describe the diffusion process of a topic. This research shows that epidemic models can expand their application areas to topic discussion on the web, particularly social media such as web forums. PMID:26839759

  6. Effect of geometrical uncertainties on the performance of heat exchangers using an efficient POD-based model reduction technique

    NASA Astrophysics Data System (ADS)

    Abraham, S.; Ghorbaniasl, G.; Raisee, M.; Lacor, C.

    2016-06-01

    The present paper aims at assessing the effect of manufacturing tolerances on the performance of heat exchangers. To this end, a two-dimensional square rib-roughened cooling channel is considered and uncertainties are introduced along the rib profile, using a Karhunen-Loéve expansion including 20 uncertainties. In order to break the curse of dimensionality and keep the overall computational cost within acceptable limits, an efficient uncertainty quantification strategy is followed. A sensitivity analysis is first performed on a coarse grid, enabling the most important dimension to be identified and to remove the ones which have not any significant effect on the output of interest. Afterwards, an efficient Proper Orthogonal Decomposition based dimension reduction technique is implemented in order to propagate uncertainties through the CFD model. It is shown that heat transfer predictions are strongly affected by geometrical uncertainties while no significant effect was found for the pressure drop.

  7. Effect of gradient pulse duration on MRI estimation of the diffusional kurtosis for a two-compartment exchange model

    NASA Astrophysics Data System (ADS)

    Jensen, Jens H.; Helpern, Joseph A.

    2011-06-01

    Hardware constraints typically require the use of extended gradient pulse durations for clinical applications of diffusion-weighted magnetic resonance imaging (DW-MRI), which can potentially influence the estimation of diffusion metrics. Prior studies have examined this effect for the apparent diffusion coefficient. This study employs a two-compartment exchange model in order to assess the gradient pulse duration sensitivity of the apparent diffusional kurtosis (ADK), a quantitative index of diffusional non-Gaussianity. An analytic expression is derived and numerically evaluated for parameter ranges relevant to DW-MRI of brain. It is found that the ADK differs from the true diffusional kurtosis by at most a few percent. This suggests that ADK estimates for brain may be robust with respect to changes in pulse gradient duration.

  8. A Carbon Flux Super Site. New Insights and Innovative Atmosphere-Terrestrial Carbon Exchange Measurements and Modeling

    SciTech Connect

    Leclerc, Monique Y.

    2014-11-17

    This final report presents the main activities and results of the project “A Carbon Flux Super Site: New Insights and Innovative Atmosphere-Terrestrial Carbon Exchange Measurements and Modeling” from 10/1/2006 to 9/30/2014. It describes the new AmeriFlux tower site (Aiken) at Savanna River Site (SC) and instrumentation, long term eddy-covariance, sodar, microbarograph, soil and other measurements at the site, and intensive field campaigns of tracer experiment at the Carbon Flux Super Site, SC, in 2009 and at ARM-CF site, Lamont, OK, and experiments in Plains, GA. The main results on tracer experiment and modeling, on low-level jet characteristics and their impact on fluxes, on gravity waves and their influence on eddy fluxes, and other results are briefly described in the report.

  9. Non-adiabatic exchange-correlation kernel for the non-equilibrium response of three-dimensional Hubbard model

    NASA Astrophysics Data System (ADS)

    Acharya, Shree Ram; Baral, Nisha; Turkowski, Volodymyr; Rahman, Talat S.

    2015-03-01

    We apply Dynamical Mean-Field Theory (DMFT) to calculate the non-adiabatic (frequency-dependent) exchange-correlation kernel for the three-dimensional Hubbard model. We analyze the dependence of the kernel on the electron doping, local Coulomb repulsion and frequency by using three different impurity solvers: Hubbard-I, Iterative Perturbation Theory (IPT) and Continuous-Time Quantum Monte Carlo (CT-QMC). From the calculated data, we obtain approximate analytical expressions for the kernel. We apply the exact numerical and analytical kernels to study the non-equilibrium response of the system for applied ultrafast laser pulse. We demonstrate that the non-adiabaticity of the kernel plays an important role in the system response; in particular, leading to new excited-states involved in the system dynamics. Work supported in part by DOE Grant No. DOE-DE-FG02-07ER46354.

  10. Modeling Soil Climate Controls on the Exchange of Trace Gases Between the Terrestrial Biosphere and the Atmosphere

    NASA Astrophysics Data System (ADS)

    Frolking, Stephen Edward

    Soil temperature and moisture profiles (soil climate) have a strong influence on the rate of trace gas exchange between the terrestrial biosphere and the atmosphere through the controls exerted on microbial processes and the physical exchange of gases. Principal controls of biological denitrification in mineral soils are the availability of carbon and nitrogen substrates and the soil anaerobic status. A process-oriented model of decomposition and denitrification in soils (DNDC) was modified to have a more detailed portrayal of these controls. In particular, a diffusive soil gas phase was added, along with a method for determining anaerobic and aerobic fractional volume within a soil profile. The model generally overestimated N2O fluxes when compared to field data from a sandy soil in Costa Rica, but captured the timing and shape of the brief flux episodes. Several modeling shortcomings are discussed, including the nature of the carbon substrates and the nature and dynamics of soil anaerobic fractional volume. Methane flux from wetland soils is generally correlated with soil temperature and depth to water table. A model of peat soil climate was developed and applied to a small, poor fen in southern New Hampshire. Temperature profiles and ice depth are in good agreement with field data, but depth to water table is more problematic. Field-based flux correlations to soil temperature, depth to water table, and weighted recent precipitation were developed. When used with the wetland soil climate model, much of the seasonal and shorter period flux variability was captured. The model was then driven by local weather data for 1926-1986; flux variability was dependent on both summer season temperatures and summer precipitation patterns. It is estimated that a five-year field study would capture most of the inter -annual variability. Sensitivity of northern peatland methane flux to climate variability was studied by combining data on flux rates, inundation areas, and summer

  11. Investigation of the interaction between sources and sinks of atmospheric ammonia in an upland landscape using a simplified dispersion-exchange model

    NASA Astrophysics Data System (ADS)

    Loubet, Benjamin; Milford, Celia; Sutton, Mark A.; Cellier, Pierre

    2001-10-01

    Exchange of atmospheric ammonia (NH3) with vegetation is characterized by the juxtaposition of sources and sinks at a landscape level. Such situations lead to a large fraction of the landscape being exposed to local advection effects that if not accounted for, introduce errors in standard micrometeorological measurements of NH3 exchange with the surface. In this study, a simplified dispersion - exchange model for NH3 (Flux Interpretation by Dispersion and Exchange over Short Range, FIDES) is evaluated and used to assess the advection fluxes at 260 m downwind of an isolated pasture, grazed with sheep, using the measurements of a classical three-point NH3 gradient system located on adjacent moorland. The method consists of fitting the measured and modeled concentration profile by adjusting at the same time the emission strength of the local source and the exchange rate of NH3 to the moorland area downwind. A local dispersion and surface exchange model such as FIDES has proved to be a valuable tool to estimate advection corrections, given sound estimates of background NH3 concentrations, source location, and standard meteorological parameters. According to the model results the advection fluxes at the moorland measurement site, at 1.0 m height and 260 m downwind of the grazed pasture, were positive. For 80% of the situations they ranged between 30% and 60% of the vertical flaxes. In stable conditions the advection fluxes were large and more sensitive to the surface exchange parameters. These results demonstrate that if not accounted for, advection fluxes may lead to a severe underestimate of the NH3 deposition to seminatural ecosystems, such as moorland, in the vicinity of ground level agricultural sources.

  12. Implications of weak Donnan potential in ion-exchange reactions. An alternate strategy for modeling sorption processes

    SciTech Connect

    Bhandari, V.M.

    1998-09-01

    Donnan potential generated during an ion-exchange process is conventionally believed to play an important role in partitioning co-ions in the resin and solution phases; most earlier studies implied near total exclusion of co-ions from the resin pores. The present work attempts to investigate implications of weak Donnan potential with specific reference to the sorption of acids on weak base resins. An alternate mathematical treatment has been proposed to describe the sorption behavior of any type of acid by assuming diffusion and sorption of single species, the composite acid molecule, in the resin pores. Fick`s law is then used to characterize the diffusion process. The proposed model is validated using data reported in the literature for the sorption of a strong monobasic acid (HCl) and also for a weak monobasic acid (HCOOH). The fit of the model is excellent, and the regressed values of the effective diffusion coefficient are shown to be reasonable and correct to the order of magnitude. The model is expected to offer a simpler and unified approach for modeling sorption behavior of different types of acids and will be more useful in problems of acid separation from mixtures.

  13. Coupled modeling of water transport and air-droplet interaction in the electrode of a proton exchange membrane fuel cell

    NASA Astrophysics Data System (ADS)

    Esposito, Angelo; Pianese, Cesare; Guezennec, Yann G.

    In this work, an accurate and computationally fast model for liquid water transport within a proton exchange membrane fuel cell (PEMFC) electrode is developed by lumping the space-dependence of the relevant variables. Capillarity is considered as the main transport mechanism within the gas diffusion layer (GDL). The novelty of the model lies in the coupled simulation of the water transport at the interface between gas diffusion layer and gas flow channel (GFC). This is achieved with a phenomenological description of the process that allows its simulation with relative simplicity. Moreover, a detailed two-dimensional visualization of such interface is achieved via geometric simulation of water droplets formation, growth, coalescence and detachment on the surface of the GDL. The model is useful for optimization analysis oriented to both PEMFC design and balance of plant. Furthermore, the accomplishment of reduced computational time and good accuracy makes the model suitable for control strategy implementation to ensure PEM fuel cells operation within optimal electrode water content.

  14. Loss of the AE3 Anion Exchanger in a Hypertrophic Cardiomyopathy Model Causes Rapid Decompensation and Heart Failure

    PubMed Central

    Al Moamen, Nabeel J.; Prasad, Vikram; Bodi, Ilona; Miller, Marian L.; Neiman, Michelle L.; Lasko, Valerie M.; Alper, Seth L.; Wieczorek, David F.; Lorenz, John N.; Shull, Gary E.

    2010-01-01

    The AE3 Cl−/HCO3− exchanger is abundantly expressed in the sarcolemma of cardiomyocytes, where it mediates Cl−-uptake and HCO3−-extrusion. Inhibition of AE3-mediated Cl−/HCO3− exchange has been suggested to protect against cardiac hypertrophy; however, other studies indicate that AE3 might be necessary for optimal cardiac function. To test these hypotheses we crossed AE3-null mice, which appear phenotypically normal, with a hypertrophic cardiomyopathy mouse model carrying a Glu180Gly mutation in α–tropomyosin (TM180). Loss of AE3 had no effect on hypertrophy; however, survival of TM180/AE3 double mutants was sharply reduced compared with TM180 single mutants. Analysis of cardiac performance revealed impaired cardiac function in TM180 and TM180/AE3 mutants. TM180/AE3 double mutants were more severely affected and exhibited little response to β-adrenergic stimulation, a likely consequence of their more rapid progression to heart failure. Increased expression of calmodulin-dependent kinase II and protein phosphatase 1 and differences in methylation and localization of protein phosphatase 2A were observed, but were similar in single and double mutants. Phosphorylation of phospholamban on Ser16 was sharply increased in both single and double mutants relative to wild-type hearts under basal conditions, leading to reduced reserve capacity for β-adrenergic stimulation of phospholamban phosphorylation. Imaging analysis of isolated myocytes revealed reductions in amplitude and decay of Ca2+ transients in both mutants, with greater reductions in TM180/AE3 mutants, consistent with the greater severity of their heart failure phenotype. Thus, in the TM180 cardiomyopathy model, loss of AE3 had no apparent anti-hypertrophic effect and led to more rapid decompensation and heart failure. PMID:21056571

  15. A general model of resource production and exchange in systems of interdependent specialists.

    SciTech Connect

    Conrad, Stephen Hamilton; Finley, Patrick D.; Beyeler, Walter Eugene; Brown, Theresa Jean; Glass, Robert John, Jr.; Breen, Peter; Kuypers, Marshall; Norton, Matthew David; Quach, Tu-Thach; Antognoli, Matthew; Mitchell, Michael David

    2011-11-01

    Infrastructures are networks of dynamically interacting systems designed for the flow of information, energy, and materials. Under certain circumstances, disturbances from a targeted attack or natural disasters can cause cascading failures within and between infrastructures that result in significant service losses and long recovery times. Reliable interdependency models that can capture such multi-network cascading do not exist. The research reported here has extended Sandia's infrastructure modeling capabilities by: (1) addressing interdependencies among networks, (2) incorporating adaptive behavioral models into the network models, and (3) providing mechanisms for evaluating vulnerability to targeted attack and unforeseen disruptions. We have applied these capabilities to evaluate the robustness of various systems, and to identify factors that control the scale and duration of disruption. This capability lays the foundation for developing advanced system security solutions that encompass both external shocks and internal dynamics.

  16. Improved simulation of river water and groundwater exchange in an alluvial plain using the SWAT model

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Hydrological interaction between surface and subsurface water systems has a significant impact on water quality, ecosystems and biogeochemistry cycling of both systems. Distributed models have been developed to simulate this function, but they require detailed spatial inputs and extensive computati...

  17. The DSET Tool Library: A software approach to enable data exchange between climate system models

    SciTech Connect

    McCormick, J.

    1994-12-01

    Climate modeling is a computationally intensive process. Until recently computers were not powerful enough to perform the complex calculations required to simulate the earth`s climate. As a result standalone programs were created that represent components of the earth`s climate (e.g., Atmospheric Circulation Model). However, recent advances in computing, including massively parallel computing, make it possible to couple the components forming a complete earth climate simulation. The ability to couple different climate model components will significantly improve our ability to predict climate accurately and reliably. Historically each major component of the coupled earth simulation is a standalone program designed independently with different coordinate systems and data representations. In order for two component models to be coupled, the data of one model must be mapped to the coordinate system of the second model. The focus of this project is to provide a general tool to facilitate the mapping of data between simulation components, with an emphasis on using object-oriented programming techniques to provide polynomial interpolation, line and area weighting, and aggregation services.

  18. The Effect of Temperature and Increased Rainfall on Carbon Dioxide Exchange in a High Arctic Ecosystem: Improving Models and Testing Linearity of Response

    NASA Astrophysics Data System (ADS)

    Steltzer, H.; Welker, J.; Sullivan, P.

    2006-12-01

    Ecosystem carbon dioxide exchange determines the terrestrial flux of carbon dioxide to the atmosphere through the two component processes of photosynthesis and respiration. Temperature and water availability are dominant factors that regulate carbon dioxide exchange and ecosystem productivity across the globe. Yet, in many ecosystems, the complex interaction of temperature and water availability and their individual and combined effects on photosynthesis and respiration make it difficult to predict how climate change will affect carbon dioxide exchange. For example, climate warming can increase carbon dioxide uptake in wetter Arctic ecosystems, but leads to the loss of carbon dioxide to the atmosphere in drier Arctic ecosystems. Characterizing how temperature and water availability affect ecosystem carbon exchange in the Arctic is essential to determine whether the rate of climate warming could accelerate due to carbon dioxide losses from Arctic ecosystems. We conducted a multi-level warming experiment that included control plots and two- levels of warming in a widespread High Arctic ecosystem. Infrared lamps were used to warm the tundra during the growing season and rainfall was increased by 50 percent in control plots and the higher level warming treatment. Carbon dioxide exchange was measured using chamber techniques over several 24-hour periods during the growing season for three years and was resolved into the component fluxes. Climate and biophysical variables that affect carbon dioxide exchange rates were measured in coordination with these flux measurements. We chose to analyze the data from this experiment by fitting the data to light and temperature response functions for gross ecosystem photosynthesis and ecosystem respiration, respectively. Based on our sample size of 30 experimental plots (5 treatments x 6 replicates), we selected relatively simple models of carbon dioxide exchange to minimize overfitting, but considered linear and nonlinear models

  19. The Influence of Internal Model Variability in GEOS-5 on Interhemispheric CO2 Exchange

    NASA Technical Reports Server (NTRS)

    Allen, Melissa; Erickson, David; Kendall, Wesley; Fu, Joshua; Ott, Leslie; Pawson, Steven

    2012-01-01

    An ensemble of eight atmospheric CO2 simulations was completed employing the National Aeronautics and Space Administration (NASA) Goddard Earth Observation System, Version 5 (GEOS-5) for the years 2000-2001, each with initial meteorological conditions corresponding to different days in January 2000 to examine internal model variability. Globally, the model runs show similar concentrations of CO2 for the two years, but in regions of high CO2 concentrations due to fossil fuel emissions, large differences among different model simulations appear. The phasing and amplitude of the CO2 cycle at Northern Hemisphere locations in all of the ensemble members is similar to that of surface observations. In several southern hemisphere locations, however, some of the GEOS-5 model CO2 cycles are out of phase by as much as four months, and large variations occur between the ensemble members. This result indicates that there is large sensitivity to transport in these regions. The differences vary by latitude-the most extreme differences in the Tropics and the least at the South Pole. Examples of these differences among the ensemble members with regard to CO2 uptake and respiration of the terrestrial biosphere and CO2 emissions due to fossil fuel emissions are shown at Cape Grim, Tasmania. Integration-based flow analysis of the atmospheric circulation in the model runs shows widely varying paths of flow into the Tasmania region among the models including sources from North America, South America, South Africa, South Asia and Indonesia. These results suggest that interhemispheric transport can be strongly influenced by internal model variability.

  20. Air-snow exchange of nitrate: a modelling approach to investigate physicochemical processes in surface snow at Dome C, Antarctica

    NASA Astrophysics Data System (ADS)

    Bock, Josué; Savarino, Joël; Picard, Ghislain

    2016-10-01

    Snowpack is a multiphase (photo)chemical reactor that strongly influences the air composition in polar and snow-covered regions. Snowpack plays a special role in the nitrogen cycle, as it has been shown that nitrate undergoes numerous recycling stages (including photolysis) in the snow before being permanently buried in the ice. However, the current understanding of these physicochemical processes remains very poor. Several modelling studies have attempted to reproduce (photo)chemical reactions inside snow grains, but these have relied on strong assumptions to characterise snow reactive properties, which are not well defined. Air-snow exchange processes such as adsorption, solid-state diffusion, or co-condensation also affect snow chemical composition. Here, we present a physically based model of these processes for nitrate. Using as input a 1-year-long time series of atmospheric nitrate concentration measured at Dome C, Antarctica, our model reproduces with good agreement the nitrate measurements in the surface snow. By investigating the relative importance of the main exchange processes, this study shows that, on the one hand, the combination of bulk diffusion and co-condensation allows a good reproduction of the measurements (correlation coefficient r = 0.95), with a correct amplitude and timing of summer peak concentration of nitrate in snow. During winter, nitrate concentration in surface snow is mainly driven by thermodynamic equilibrium, whilst the peak observed in summer is explained by the kinetic process of co-condensation. On the other hand, the adsorption of nitric acid on the surface of the snow grains, constrained by an already existing parameterisation for the isotherm, fails to fit the observed variations. During winter and spring, the modelled concentration of adsorbed nitrate is respectively 2.5 and 8.3-fold higher than the measured one. A strong diurnal variation driven by the temperature cycle and a peak occurring in early spring are two other

  1. Representing Sub-Plot Canopy Heterogeneity Improves Model Prediction of Net Ecosystem Exchange in a Mixed-Deciduous Forest

    NASA Astrophysics Data System (ADS)

    Frasson, R. P. M.; Bohrer, G.; Medvigy, D.; Vogel, C. S.; Gough, C. M.; Curtis, P.

    2014-12-01

    Canopy density and composition may vary within an eddy covariance tower's footprint in response to small-scale topographic features, biotic interactions such as herbivory, local disturbances, etc. We are investigating how different representations of canopy heterogeneity influence predictions of net ecosystem CO2 exchange in a mixed-deciduous forest by an age/plant functional type structured ecosystem model. Our study area is located at the University of Michigan Biological Station (UMBS) where two eddy covariance towers and periodic tree censuses provide a rich long-term record of ecosystem structure, weather, and carbon uptake. Meteorological measurements collected at the US-UMB AmeriFlux tower served to force, optimize, and evaluate the Ecosystem Demography model version 2 (ED2), while tree census information was used to initialize ED2. To test the influence that representing canopy heterogeneity has on model-tower agreement, we ran a set of ED2 site-level simulations with an increasing number of sub-grid patches. The first simulation, which we call 'aggregated', had one large patch explicitly containing all trees. The aggregated canopy represents a case where different size cohorts of each plant functional type are distributed homogeneously throughout the plot with uniform stem density. Six other simulations represented patch-level canopies with varying degrees of heterogeneity, ranging from 5 to 64 sub-plot patches; each patch represented from one to several of the 0.1 ha tree census plots. A preliminary comparison of the aggregated and the 20-plot heterogeneous simulations showed that including patch-level heterogeneity in the canopy description improved model prediction quality. For example, compared to the single-patch, aggregated simulation, including 20 sub-plot patches improved model bias in the estimated accumulated 5-year net ecosystem exchange from 17% to 5%, which is smaller than our tower observation uncertainty. As a result of this study, we will

  2. Three order state space modeling of proton exchange membrane fuel cell with energy function definition

    NASA Astrophysics Data System (ADS)

    Becherif, M.; Hissel, D.; Gaagat, S.; Wack, M.

    The fuel cell is a complex system which is the centre of a lot of multidisciplinary research activities since it involves intricate application of various fields of study. The operation of a fuel cell depends on a wide range of parameters. The effect of one cannot be studied in isolation without disturbing the system which makes it very difficult to comprehend, analyze and predict various phenomena occurring in the fuel cell. In the current work, we present an equivalent electrical circuit of the pneumatics and fluidics in a fuel cell stack. The proposed model is based on the physical phenomena occurring inside fuel cell stack where we define the fluidic-electrical and pneumatic-electrical analogy. The effect of variation in temperature and relative humidity on the cell are considered in this model. The proposed model, according to the considered hypothesis, is a simple three order state space model which is suitable for the control purpose where a desired control structure can be formulated for high-end applications of the fuel cell as a subpart of a larger system, for instance, in hybrid propulsion of vehicles coupled with batteries and supercapacitors. Another key point of our work is the definition of the natural fuel cell stack energy function. The circuit analysis equations are presented and the simulated model is validated using the experimental data obtained using the fuel cell test bench available in Fuel Cell Laboratory, France.

  3. Chemical-Specific Representation of Air-Soil Exchange and Soil Penetration in Regional Multimedia Models

    SciTech Connect

    McKone, T.E.; Bennett, D.H.

    2002-08-01

    In multimedia mass-balance models, the soil compartment is an important sink as well as a conduit for transfers to vegetation and shallow groundwater. Here a novel approach for constructing soil transport algorithms for multimedia fate models is developed and evaluated. The resulting algorithms account for diffusion in gas and liquid components; advection in gas, liquid, or solid phases; and multiple transformation processes. They also provide an explicit quantification of the characteristic soil penetration depth. We construct a compartment model using three and four soil layers to replicate with high reliability the flux and mass distribution obtained from the exact analytical solution describing the transient dispersion, advection, and transformation of chemicals in soil with fixed properties and boundary conditions. Unlike the analytical solution, which requires fixed boundary conditions, the soil compartment algorithms can be dynamically linked to other compartments (air, vegetation, ground water, surface water) in multimedia fate models. We demonstrate and evaluate the performance of the algorithms in a model with applications to benzene, benzo(a)pyrene, MTBE, TCDD, and tritium.

  4. Parameterization of the coupling CO2 and H2O gas exchange model at the leaf scale of Populus euphratica tree

    NASA Astrophysics Data System (ADS)

    Zhu, G.; Li, X.; Su, Y.; Huang, C.

    2009-10-01

    The following two models were combined to predict simultaneously CO2 and H2O gas exchange at the leaf scale of Populus euphratica: a Farquhar et al. type biochemical sub-model of photosynthesis (Farquhar et al., 1980) and a Ball et al. type stomatal conductance sub-model (Ball et al., 1987). The photosynthesis parameters, Vcmax, Jmax, TPU, and Rd (maximum carboxylation rate allowed by ribulose 1·5-bisphosphate carboxylase/oxygenase (Rubisco), rate of phosynthetic electron transport, triose phosphate use, and day respiration) at the measurement temperature were determined by using the genetic algorithm (GA) method based on A/Ci data sets. The stomatal conductance sub-model was calibrated independently. Prediction of net photosynthesis by the coupled model agreed well with the validation data, but the model tended to underestimate rates of transpiration. Overall, the combined model generally captured the diurnal patterns of CO2and H2O exchange resulting from variation in temperature and irradiation.

  5. A model for gas and nutrient exchange in the chorionic vasculature system of the mouse placenta

    NASA Astrophysics Data System (ADS)

    Mirbod, Parisa; Sled, John

    2015-11-01

    The aim of this study is to develop an analytical model for the oxygen and nutrient transport from the umbilical cord to the small villous capillaries. The nutrient and carbon dioxide removal from the fetal cotyledons in the mouse placental system has also been considered. This model describes the mass transfer between the fetal and the maternal red blood cells in the chorionic arterial vasculature system. The model reveals the detail fetal vasculature system and its geometry and the precise mechanisms of mass transfer through the placenta. The dimensions of the villous capillaries, the total length of the villous trees, the total villi surface area, and the total resistance to mass transport in the fetal villous trees has also been defined. This is the first effort to explain the reason why there are at least 7 lobules in the mouse placenta from the fluid dynamics point of view.

  6. Computational modeling of transport and electrochemical reactions in proton-exchange membrane fuel cells

    NASA Astrophysics Data System (ADS)

    Um, Sukkee

    A comprehensive, multi-physics computational fuel cell dynamics (CFCD) model integrating electrochemical kinetics, charge transport, mass transport (particularly water transport), and flow dynamics is developed in this thesis. The numerical model is validated against published experimental data and utilized to generate results that reveal the internal operation of a PEM fuel cell. A number of model applications are demonstrated in the present work. First, the CFCD model is applied to explore hydrogen dilution effects in the anode feed. Detailed two-dimensional electrochemical and flow/transport simulations are provided to examine substantial anode concentration polarization due to hydrogen depletion at the reaction sites. A transient simulation of the cell current response to a step change in cell voltage is also attempted to elucidate characteristics of the dynamic response of a fuel cell for the first time. After the two-dimensional computational study, the CFCD model is applied to illustrate three-dimensional interactions between mass transfer and electrochemical kinetics. Emphasis is placed on obtaining a fundamental understanding of fully three-dimensional flow in the air cathode with interdigitated flowfield design and how it impacts the transport and electrochemical reaction processes. The innovative design concept for enhanced oxygen transport to, and effective water removal from the cathode, is explored numerically. Next, an analytical study of water transport is performed to investigate various water transport regimes of practical interest. The axial locations characteristic of anode water loss and cathode flooding are predicted theoretically and compared with numerical results. A continuous stirred fuel cell reactor (CSFCR) model is also proposed for the limiting situation where the anode and cathode sides reach equilibrium in water concentration with a thin ionomer membrane in between. In addition to the analytical solutions, a detailed water transport

  7. Modeling the Exchanges of Energy, Water, and Carbon Between Continents and the Atmosphere

    PubMed

    Sellers; Dickinson; Randall; Betts; Hall; Berry; Collatz; Denning; Mooney; Nobre; Sato; Field; Henderson-Sellers

    1997-01-24

    Atmospheric general circulation models used for climate simulation and weather forecasting require the fluxes of radiation, heat, water vapor, and momentum across the land-atmosphere interface to be specified. These fluxes are calculated by submodels called land surface parameterizations. Over the last 20 years, these parameterizations have evolved from simple, unrealistic schemes into credible representations of the global soil-vegetation-atmosphere transfer system as advances in plant physiological and hydrological research, advances in satellite data interpretation, and the results of large-scale field experiments have been exploited. Some modern schemes incorporate biogeochemical and ecological knowledge and, when coupled with advanced climate and ocean models, will be capable of modeling the biological and physical responses of the Earth system to global change, for example, increasing atmospheric carbon dioxide. PMID:8999789

  8. Modeling the exchanges of energy, water, and carbon between continents and the atmosphere

    SciTech Connect

    Sellers, P.J.; Dickinson, R.E.; Randall, D.A.

    1997-01-24

    Atmospheric general circulation models used for climate simulation and weather forecasting require the fluxes of radiation, heat, water vapor, and momentum across the land-atmosphere interface to be specified. These fluxes are calculated by submodels called land surface parameterizations. over the last 20 years, these parameterizations have evolved from simple, unrealistic schemes into credible representations of the global soil-vegetation-atmosphere transfer system as advances in plant physiological and hydrological research, advances in satellite data interpretation, and the results of large-scale field experiments have been exploited. Some modern schemes incorporate biogeochemical and ecological knowledge and, when coupled with advanced climate and ocean models, will be capable of modeling the biological and physical responses of the Earth system to global change, for example, increasing atmospheric carbon dioxide. 61 refs., 4 figs., 1 tab.

  9. A Steric-inhibition model for regulation of nucleotide exchange via the Dock180 family of GEFs.

    PubMed

    Lu, Mingjian; Kinchen, Jason M; Rossman, Kent L; Grimsley, Cynthia; Hall, Matthew; Sondek, John; Hengartner, Michael O; Yajnik, Vijay; Ravichandran, Kodi S

    2005-02-22

    CDM (CED-5, Dock180, Myoblast city) family members have been recently identified as novel, evolutionarily conserved guanine nucleotide exchange factors (GEFs) for Rho-family GTPases . They regulate multiple processes, including embryonic development, cell migration, apoptotic-cell engulfment, tumor invasion, and HIV-1 infection, in diverse model systems . However, the mechanism(s) of regulation of CDM proteins has not been well understood. Here, our studies on the prototype member Dock180 reveal a steric-inhibition model for regulating the Dock180 family of GEFs. At basal state, the N-terminal SH3 domain of Dock180 binds to the distant catalytic Docker domain and negatively regulates the function of Dock180. Further studies revealed that the SH3:Docker interaction sterically blocks Rac access to the Docker domain. Interestingly, ELMO binding to the SH3 domain of Dock180 disrupted the SH3:Docker interaction, facilitated Rac access to the Docker domain, and contributed to the GEF activity of the Dock180/ELMO complex. Additional genetic rescue studies in C. elegans suggested that the regulation of the Docker-domain-mediated GEF activity by the SH3 domain and its adjoining region is evolutionarily conserved. This steric-inhibition model may be a general mechanism for regulating multiple SH3-domain-containing Dock180 family members and may have implications for a variety of biological processes.

  10. Assessing filtering of mountaintop CO2 mixing ratios for application to inverse models of biosphere-atmosphere carbon exchange

    NASA Astrophysics Data System (ADS)

    Brooks, B.-G. J.; Desai, A. R.; Stephens, B. B.; Bowling, D. R.; Burns, S. P.; Watt, A. S.; Heck, S. L.; Sweeney, C.

    2011-09-01

    There is a widely recognized need to improve our understanding of biosphere-atmosphere carbon exchanges in areas of complex terrain including the United States Mountain West. CO2 fluxes over mountainous terrain are difficult to measure often due to unusual and complicated influences associated with atmospheric transport in complex terrain. Using five years of CO2 mixing ratio observations from the Regional Atmospheric Continuous CO2 Network in the Rocky Mountains (Rocky RACCOON), five statistical (subsetting) filters are used to investigate a range of approaches for identifying regionally representative CO2 mixing ratios. Test results from three filters indicate that subsets based on short-term variance and local CO2 gradients across tower inlet heights retain nine-tenths of the total observations and are able to define representative diurnal variability and seasonal cycles even for difficult-to-model sites where the influence of local fluxes is much larger than regional mixing ratio variations. Test results from two other filters that consider measurements from previous and following days using spline fitting or sliding windows are overly selective. Case study examples showed that even when standardized to common subset sizes these windowing-filters rejected measurements representing synoptic changes in CO2, which suggests that they are not well suited to filtering continental CO2 measurements. We present a novel CO2 lapse rate filter that uses CO2 differences between levels in the model atmosphere to constrain subsets of site measurements that are representative on model scales.

  11. IrBurst Modeling and Performance Evaluation for Large Data Block Exchange over High-Speed IrDA Links

    NASA Astrophysics Data System (ADS)

    Alam, Mohammad Shah; Shawkat, Shamim Ara; Kitazumi, Gontaro; Matsumoto, Mitsuji

    IrBurst, recently proposed by IrDA, is a high speed information transmission protocol. In this paper, a mathematical model is developed which leads to derivation of the IrBurst throughput over the IrDA protocol stack. Based on this model, we compare the performance of IrBurst and existing OBEX protocol in order to investigate the suitability of IrBurst protocol for exchange of large data blocks over high-speed IrDA links. Furthermore, the model allows the evaluation of the impact of the link layer parameters, such as window size and frame length, and physical layer parameters, such as minimum turnaround time, on system through-put for high-speed IrDA links and in the presence of transmission errors. Consequently, an effective Automatic Repeat Request (ARQ) scheme is proposed at link layer to maximize the throughput efficiency for IrBurst protocol as well as for next generation high speed IrDA links. Simulation result indicates that employment of our proposed ARQ scheme results in significant improvement of IrBurst throughput efficiency at high bit error rates.

  12. Modelling of the interaction between chemical and mechanical behaviour of ion exchange resins incorporated into a cement-based matrix

    NASA Astrophysics Data System (ADS)

    Neji, M.; Bary, B.; Burlion, N.; Le Bescop, P.

    2013-07-01

    In this paper, we present a predictive model, based on experimental data, to determine the macroscopic mechanical behavior of a material made up of ion exchange resins solidified into a CEM III cement paste. Some observations have shown that in some cases, a significant macroscopic expansion of this composite material may be expected, due to internal pressures generated in the resin. To build the model, we made the choice to break down the problem in two scale's studies. The first deals with the mechanical behavior of the different heterogeneities of the composite, i.e. the resin and the cement paste. The second upscales the information from the heterogeneities to the Representative Elementary Volume (REV) of the composite. The heterogeneities effects are taken into account in the REV by applying a homogenization method derived from the Eshelby theory combined with an interaction coefficient drawn from the poroelasticity theory. At the first scale, from the second thermodynamic law, a formulation is developed to estimate the resin microscopic swelling. The model response is illustrated on a simple example showing the impact of the calculated internal pressure, on the macroscopic strain.

  13. Drought limitations to leaf-level gas exchange: results from a model linking stomatal optimization and cohesion-tension theory.

    PubMed

    Novick, Kimberly A; Miniat, Chelcy F; Vose, James M

    2016-03-01

    We merge concepts from stomatal optimization theory and cohesion-tension theory to examine the dynamics of three mechanisms that are potentially limiting to leaf-level gas exchange in trees during drought: (1) a 'demand limitation' driven by an assumption of optimal stomatal functioning; (2) 'hydraulic limitation' of water movement from the roots to the leaves; and (3) 'non-stomatal' limitations imposed by declining leaf water status within the leaf. Model results suggest that species-specific 'economics' of stomatal behaviour may play an important role in differentiating species along the continuum of isohydric to anisohydric behaviour; specifically, we show that non-stomatal and demand limitations may reduce stomatal conductance and increase leaf water potential, promoting wide safety margins characteristic of isohydric species. We used model results to develop a diagnostic framework to identify the most likely limiting mechanism to stomatal functioning during drought and showed that many of those features were commonly observed in field observations of tree water use dynamics. Direct comparisons of modelled and measured stomatal conductance further indicated that non-stomatal and demand limitations reproduced observed patterns of tree water use well for an isohydric species but that a hydraulic limitation likely applies in the case of an anisohydric species.

  14. A Community-University Exchange Project Modeled after Europe's Science Shops

    ERIC Educational Resources Information Center

    Tryon, Elizabeth; Ross, J. Ashleigh

    2012-01-01

    This article describes a pilot project of the Morgridge Center for Public Service at the University of Wisconsin-Madison for a new structure for community-based learning and research. It is based on the European-derived science shop model for democratizing campus-community partnerships using shared values of mutual respect and validation of…

  15. Cross-shelf exchange in a model of the Ross Sea circulation and biogeochemistry

    NASA Astrophysics Data System (ADS)

    Dinniman, Michael S.; Klinck, John M.; Smith, Walker O.

    2003-11-01

    Transport of warm, nutrient-rich Circumpolar Deep Water (CDW) onto Antarctic continental shelves and coastal seas has important effects on physical and biological processes. The present study investigates the locations of this transport and its dynamics in the Ross Sea with a high-resolution three-dimensional numerical model. The model circulation is forced by daily wind stress along with heat and salt fluxes calculated from atmospheric climatologies by bulk formulae. All surface fluxes are modified by an imposed climatological ice cover. Waters under the Ross Ice Shelf are not included explicitly, but their effect on temperature and salinity is imposed in a buffer zone at the southern end of the model domain. A simple nutrient uptake is calculated based on the climatological chlorophyll distribution and Monod uptake kinetics. Model circulation is strongly affected by bottom topography, due to weak stratification, and agrees with schematics of the general flow and long-term current measurements except near the southern boundary. The sea-surface temperature is similar to satellite estimates except that the warmest simulated temperatures are slightly higher than observations. There is a significant correlation between the curvature of the shelf break and the transport across the shelf break. A momentum term balance shows that momentum advection helps to force flow across the shelf break in specific locations due to the curvature of the bathymetry (that is, the isobaths curve in front of the flow). For the model to create a strong intrusion of CDW onto the shelf, it appears two mechanisms are necessary. First, CDW is driven onto the shelf at least partially due to momentum advection and the curvature of the shelf break; then, the general circulation on the shelf takes the CDW into the interior.

  16. NOAH-GECROS: A coupled land surface - crop growth model for simulating water and energy exchange between croplands and atmosphere

    NASA Astrophysics Data System (ADS)

    Ingwersen, J.; Streck, T.

    2011-12-01

    The current NOAH land surface model (LSM) describes the vegetation dynamics of croplands in a prescribed and generalized way leading under some conditions to a biased energy partitioning of net radiation and disabling the feedback of atmospheric conditions on land surface properties (LS) in coupled weather and climate simulations. The aim of the present study was to couple the NOAH LSM with the generic crop growth model (CGM) GECROS for improving the description of vegetation dynamics over croplands. We tested two different coupling approaches. In the first approach ("data hand-over"- coupling), the two self-contained models simply exchange data between each time step. GECROS hands over data on plant phenology. NOAH delivers the amount of plant available water in the rooting zone and computes the surface exchange fluxes. In the second approach ("cut and merge"- coupling) we cut from the NOAH code the empirical Jarvis scheme for computing canopy transpiration and merged the remaining code with the GECROS CGM. In this way, we introduced a Penman-Monteith approach, in which the stomatal resistance is a function of photosynthesis, for computing canopy transpiration. The coupled model runs were benchmarked against an uncoupled NOAH simulation based on a field-specific parameterization. All simulations were compared with "sensible heat flux"- corrected eddy covariance (EC) flux measurements, which were collected over a winter wheat stand in Southwest Germany during the vegetation period in 2009. The "cut and merge"- coupling significantly outperformed the field-specific uncoupled NOAH simulation. While, for example, the root mean square error (RMSE) of the latent heat (LE) fluxes of the uncoupled NOAH simulation was on average 73.0 W m-2, the RMSE of the coupled LS-CGM was 16.2 W m-2. The simulation of the sensible heat flux was improved in a similar magnitude. The "data hand-over" approach also slightly improved the simulation (RMSE of LE fluxes = 54.3 W m-2) but showed

  17. Net Ecosystem Exchange in a Tall Tower Footprint: Reconciling Observations, Modeling, and Remote Sensing

    NASA Astrophysics Data System (ADS)

    Braswell, B.; Braswell, B.; Churkina, G.; Schimel, D.; Davis, K.

    2001-05-01

    In this study we investigate the controls on monthly-to-interannual terrestrial NEP within the footprint of the WLEF tall tower. This footprint is large enough (>1 km2) to be considered as a single example of a global ecosystem model or global remote sensing grid cell. We compare the observed NEE from 1997-1999 wit