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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. An approach estimating bidirectional air-surface exchange for gaseous elemental mercury at AMNet sites

    NASA Astrophysics Data System (ADS)

    Wright, L. Paige; Zhang, Leiming

    2015-03-01

    The bidirectional air-surface exchange for gaseous elemental mercury (GEM) and existing measurements of the compensation points over a variety of canopy types are reviewed. Deposition and emission of GEM are dependent on several factors such as the type of canopy, temperature, season, atmospheric GEM concentrations, and meteorological conditions, with compensation points varying between 0.5 and 33 ng m-3. Emissions tend to increase from the spring to summer seasons, as the GEM accumulates in the foliage of the vegetation. A strong dependence on solar radiation has been observed, with higher emissions under light conditions. A bidirectional air-surface exchange flux model is proposed for estimating GEM fluxes at a two-hourly time resolution for the National Atmospheric Deposition Program's, Atmospheric Mercury Network (AMNet) sites. Compared to the unidirectional dry deposition model used in Zhang et al. (2012), two additional parameters, stomatal and soil emission potential, were needed in the bidirectional model and were chosen based on knowledge gained in the literature review and model sensitivity test results. Application of this bidirectional model to AMNet sites have produced annual net deposition fluxes comparable to those estimated in Zhang et al. (2012) at the majority of the sites. In this study, the net GEM dry deposition has been estimated separately for each dominant land use type surrounding each site, and this approach is also recommended for future calculations for easy application of the results to assessments of the mercury effects on various ecosystems.

  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. Processes of ammonia air-surface exchange in a fertilized Zea mays canopy

    NASA Astrophysics Data System (ADS)

    Walker, J. T.; Jones, M. R.; Bash, J. O.; Myles, L.; Meyers, T.; Schwede, D.; Herrick, J.; Nemitz, E.; Robarge, W.

    2013-02-01

    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 represents a significant advancement over previous approaches, the evaluation and improvement of such modeling systems for fertilized crops requires process-level field measurements over extended periods of time that capture the range of soil, vegetation, and atmospheric conditions that drive short-term (i.e., post-fertilization) and total growing season NH3 fluxes. This study examines the processes of NH3 air-surface exchange in a fertilized corn (Zea mays) canopy over the majority of a growing season to characterize soil emissions after fertilization and investigate soil-canopy interactions. Micrometeorological flux measurements above the canopy, measurements of soil, leaf apoplast and dew/guttation chemistry, and a combination of in-canopy measurements, inverse source/sink, and resistance modeling were employed. Over a period of approximately 10 weeks following fertilization, daily mean and median net canopy-scale fluxes yielded cumulative total N losses of 8.4% and 6.1%, respectively, of the 134 kg N ha-1 surface applied to the soil as urea ammonium nitrate (UAN). During the first month after fertilization, daily mean emission fluxes were positively correlated with soil temperature and soil volumetric water. Diurnally, maximum hourly average fluxes of ≈ 700 ng N m-2 s-1 occurred near mid-day, coincident with the daily maximum in friction velocity. Net emission was still observed 5 to 10 weeks after fertilization, although mid-day peak fluxes had declined to ≈ 125 ng N m-2 s-1. A key finding of the surface chemistry measurements was the observation of high pH (7.0-8.5) in leaf dew/guttation, which reduced the ability of the canopy to recapture soil emissions during wet periods. In-canopy measurements near peak

  7. Processes of ammonia air-surface exchange in a fertilized Zea mays canopy

    NASA Astrophysics Data System (ADS)

    Walker, J. T.; Jones, M. R.; Bash, J. O.; Myles, L.; Meyers, T.; Schwede, D.; Herrick, J.; Nemitz, E.; Robarge, W.

    2012-06-01

    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 represents a significant advancement over previous approaches, the evaluation and improvement of such modeling systems for fertilized crops requires process level field measurements over extended periods of time that capture the range of soil, vegetation, and atmospheric conditions that drive short term (i.e., post fertilization) and total growing seasonNH3 fluxes. This study examines the processes of NH3 air-surface exchange in a fertilized corn (Zea mays) canopy over the majority of a growing season to characterize soil emissions after fertilization and investigate soil-canopy interactions. Micrometeorological flux measurements above the canopy, measurements of soil, leaf apoplast and dew/guttation chemistry, and a combination of in-canopy measurements, inverse source/sink, and resistance modeling were employed. Over a period of approximately 10 weeks following fertilization, daily mean and median net canopy-scale fluxes yielded cumulative total N losses of 8.4% and 6.1%, respectively, of the 134 kg N ha-1 surface applied to the soil as urea ammonium nitrate (UAN). During the first month after fertilization, daily mean emission fluxes were positively correlated with soil temperature and soil volumetric water. Diurnally, maximum hourly average fluxes of ≈700 ng N m-2 s-1 occurred near mid-day, coincident with the daily maximum in friction velocity. Net emission was still observed 5 to 10 weeks after fertilization, although mid-day peak fluxes had declined to ≈125 ng N m-2 s-1 A key finding of the surface chemistry measurements was the observation of high pH (7.0 - 8.5) in leaf dew/guttation, which reduced the ability of the canopy to recapture soil emissions during wet periods. In-canopy measurements near peak LAI

  8. Air-surface exchange of mercury with soils amended with ash materials.

    PubMed

    Ericksen, Jody; Gustin, Mae Sexauer

    2006-07-01

    Air-surface exchange of mercury (Hg) was measured from soil low in Hg (0.013 mg/kg) amended with four different ash materials: a wood ash containing -10% coal ash (0.070 mg/kg Hg), a mixture of two subbituminous coal fly ashes (0.075 mg/kg Hg), a subbituminous coal ash containing -10% petroleum coke ash (1.2 mg/kg Hg), and an ash from incinerated municipal sewage sludge (4.3 mg/kg Hg) using a dynamic flux chamber. Ash was added to soil to simulate agricultural supplements, soil stabilization, and pad layers used in livestock areas. For the agricultural amendment, -0.4% ash was well mixed into the soil. To make the stabilized soil that could be used for construction purposes, -20% ash was mixed into soil with water. The pad layer consisted of a wetted 1-cm layer of ash material on the soil surface. Diel trends of Hg flux were observed for all of the substrates with significantly higher Hg emissions during the day and negligible flux or deposition of Hg during the night. Hg fluxes, which were measured in the summer months, were best correlated with solar radiation, temperature, and air O3 concentrations. Mean Hg fluxes measured outdoors for unamended soils ranged from 19 to 140 ng/m2 day, whereas those for soil amended with ash to simulate an agricultural application ranged from 7.2 to 230 ng/m2 day. Fluxes for soil stabilized with ash ranged from 77 to 530 ng/m2 day and for soil with pads constructed of ash ranged from -50 to 90 ng/m2 day. Simple analytical tests (i.e., total Hg content, synthetic precipitation leaching procedure, heating, and indoor gas-exchange experiments) were performed to assess whether algorithms based on these tests could be used to predict Hg fluxes observed outdoors using the flux chamber. Based on this study, no consistent relationships could be developed. More work is needed to assess long-term and seasonal variations in Hg flux from (intact and disturbed) substrates before annual estimates of emissions can be developed. PMID:16878589

  9. Air-surface exchange of mercury with soils amended with ash materials

    SciTech Connect

    Jody Ericksen; Mae Sexauer Gustin

    2006-07-15

    Air-surface exchange of mercury (Hg) was measured from soil low in Hg amended with four different ash materials: a wood ash containing {approximately} 10% coal ash, amixture of two subbituminous coal fly ashes, a subbituminous coal ash containing {approximately} 10% petroleum coke ash and an ash from incinerated municipal sewage sludge (4.3 mg/kg Hg) using a dynamic flux chamber. Ash was added to soil to simulate agricultural supplements, soil stabilization, and pad layers used in livestock areas. For the agricultural amendment, {approximately} 0.4% ash was well mixed into the soil. To make the stabilized soil that could be used for construction purposes, {approximately} 20% ash was mixed into soil with water. The pad layer consisted of a wetted 1-cm layer of ash material on the soil surface. Diel trends of Hg flux were observed for all of the substrates with significantly higher Hg emissions during the day and negligible flux or deposition of Hg during the night. Hg fluxes, which were measured in the summer months, were best correlated with solar radiation, temperature, and air O{sub 3} concentrations. Mean Hg fluxes measured outdoors for unamended soils ranged from 19 to 140 ng/m{sup 2} day, whereas those for soil amended with ash to simulate an agricultural application ranged from 7.2 to 230 ng/m{sup 2} day. Fluxes for soil stabilized with ash ranged from 77 to 530 ng/m{sup 2} day and for soil with pads constructed of ash ranged from -50 to 90 ng/m{sup 2} day. Simple analytical tests were performed to assess whether algorithms based on these tests could be used to predict Hg fluxes observed outdoors using the flux chamber. Based on this study, no consistent relationships could be developed. More work is needed to assess long-term and seasonal variations in Hg flux from substrates before annual estimates of emissions can be developed. 45 refs., 8 figs., 3 tabs.

  10. Mercury isotopes in a forested ecosystem: Implications for air-surface exchange dynamics and the global mercury cycle

    NASA Astrophysics Data System (ADS)

    Demers, Jason D.; Blum, Joel D.; Zak, Donald R.

    2013-01-01

    Hg isotopes during foliar uptake and air-surface exchange of atmospheric THg(g) resulted in the release of Hg with very positive δ202Hg values to the atmosphere, which is key information for modeling the isotopic balance of the global mercury cycle, and may indicate a shorter residence time than previously recognized for the atmospheric mercury pool.

  11. 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.

  12. Air/surface exchange of nitric oxide between two typical vegetable lands and the atmosphere in the Yangtze Delta, China

    NASA Astrophysics Data System (ADS)

    Fang, Shuangxi; Mu, Yujing

    Few researches had been carried out so far to study Air/surface exchange of nitric oxide between vegetable lands and the atmosphere. In this study, NO fluxes from two kinds of widely cultivated vegetable fields in the Yangtze Delta, China were measured with static chamber method. The average NO fluxes were 11.5 and 34.2 ng N m -2 s -1 for cabbage (CA) and potato (PO) fields, respectively. The volatile NO sbnd N from the applied fertilizer approximately amounted to 0.6% and 3.6% for CA and PO fields, respectively. The total amount of NO emitted from the vegetable lands in this area during the investigated period was roughly estimated to be 9.1 Gg N, which accounted for about 6.5% of the total emissions from uplands in China. These results indicated that the vegetable fields acted as an important source of atmospheric NO in this area.

  13. 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

  14. 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.

  15. 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

  16. 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

  17. 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.

  18. 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.

  19. 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...

  20. 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. PMID:21741677

  1. 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

  2. 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

  3. 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

  4. 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.

  5. 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)

  6. Evaluation of a regional air-quality model with bi-directional NH3 exchange coupled to an agro-ecosystem model

    NASA Astrophysics Data System (ADS)

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

    2012-08-01

    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 bi-directional. However, the effects of bi-directional exchange, soil biogeochemistry and human activity are not parameterized in air quality models. The US Environmental Protection Agency (EPA)'s Community Multiscale Air-Quality (CMAQ) model with bi-directional NH3 exchange has been coupled with the United States Department of Agriculture (USDA)'s Environmental Policy Integrated Climate (EPIC) agro-ecosystem model's nitrogen geochemistry algorithms. CMAQ with bi-directional NH3 exchange coupled to EPIC connects agricultural cropping management practices to emissions and atmospheric concentrations of reduced nitrogen and models the biogeochemical feedback on NH3 air-surface exchange. This 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 bi-directional exchange. Fertilizer emissions estimated in CMAQ 5.0 with bi-directional 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.

  7. 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

  8. A Model for Student Exchange

    NASA Astrophysics Data System (ADS)

    Teays, T.; Henry, R. C.; Nagchaudhuri, A.; Bowden, M.; Chen, G.

    2011-09-01

    We describe a successful summer program to exchange students among three universities, in which they conducted hands-on research related to NASA's strategic enterprises in earth and space sciences, with particular emphases on aerospace and related engineering fields. The program was a part of NASA's Minority Serving Institutions Partnership Development Competition.

  9. 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.

  10. SPEEDUP{trademark} ion exchange column model

    SciTech Connect

    Hang, T.

    2000-03-06

    A transient model to describe the process of loading a solute onto the granular fixed bed in an ion exchange (IX) column has been developed using the SpeedUp{trademark} software package. SpeedUp offers the advantage of smooth integration into other existing SpeedUp flowsheet models. The mathematical algorithm of a porous particle diffusion model was adopted to account for convection, axial dispersion, film mass transfer, and pore diffusion. The method of orthogonal collocation on finite elements was employed to solve the governing transport equations. The model allows the use of a non-linear Langmuir isotherm based on an effective binary ionic exchange process. The SpeedUp column model was tested by comparing to the analytical solutions of three transport problems from the ion exchange literature. In addition, a sample calculation of a train of three crystalline silicotitanate (CST) IX columns in series was made using both the SpeedUp model and Purdue University's VERSE-LC code. All test cases showed excellent agreement between the SpeedUp model results and the test data. The model can be readily used for SuperLig{trademark} ion exchange resins, once the experimental data are complete.

  11. Magnetoelastic effect in an exchange model

    NASA Astrophysics Data System (ADS)

    Vallejo, E.

    2009-03-01

    The effect of the interplay between magnetism, charge ordering and lattice distortion within a like double and super-exchange model is studied in low-dimensional systems. An important magnetoelastic effect that leads to a lattice contraction is presented in conjunction with an analytical minimization for a three-site one-dimensional model. The model is discussed in connection with the magnetism, charge ordering and the contraction of the rungs experimentally observed within the three-leg ladders (3LL) present in the oxyborate Fe3O2BO3.

  12. Money exchange model and a general outlook

    NASA Astrophysics Data System (ADS)

    Gupta, Abhijit Kar

    2006-01-01

    The kinetic gas theory, like the two-agent money exchange model, recently introduced in the econophysics of wealth distributions, is revisited. The emergence of a Boltzmann-Gibbs-like distribution of money into Pareto's law in the tail of the distribution is examined in terms of a 2×2 transition matrix with a general and simplified outlook. Some additional interesting results are also reported.

  13. The Immediate Exchange model: an analytical investigation

    NASA Astrophysics Data System (ADS)

    Katriel, Guy

    2015-01-01

    We study the Immediate Exchange model, recently introduced by Heinsalu and Patriarca [Eur. Phys. J. B 87, 170 (2014)], who showed by simulations that the wealth distribution in this model converges to a Gamma distribution with shape parameter 2. Here we justify this conclusion analytically, in the infinite-population limit. An infinite-population version of the model is derived, describing the evolution of the wealth distribution in terms of iterations of a nonlinear operator on the space of probability densities. It is proved that the Gamma distributions with shape parameter 2 are fixed points of this operator, and that, starting with an arbitrary wealth distribution, the process converges to one of these fixed points. We also discuss the mixed model introduced in the same paper, in which exchanges are either bidirectional or unidirectional with fixed probability. We prove that, although, as found by Heinsalu and Patriarca, the equilibrium distribution can be closely fit by Gamma distributions, the equilibrium distribution for this model is not a Gamma distribution.

  14. Three-layer model for exchange anisotropy

    NASA Astrophysics Data System (ADS)

    Rezende, S. M.; Azevedo, A.; de Aguiar, F. M.; Fermin, J. R.; Egelhoff, W. F.; Parkin, S. S.

    2002-08-01

    Recent x-ray absorption measurements have indicated that the interface between the antiferromagnetic (AF) and the ferromagnetic (FM) layers in AF/FM bilayers instead of being abrupt, consists of a thin layer with uncompensated spins. Here the effect of an interfacial layer between the AF and FM layers on the ferromagnetic resonance response is investigated using a three-layer model for the exchange anisotropy. The calculated dependence of the resonance field with the azimuthal angle of the in-plane external field agrees quite well with experimental data in several samples, lending support to the existence of the uncompensated interfacial layer.

  15. 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

  16. 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.

  17. 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.

  18. 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.

  19. Modeling cation exchange using EQ3/6

    SciTech Connect

    Viani, B.; Bruton, C.; Bourcier, B.

    1992-08-01

    Geochemical modeling codes must be able to predict solid-solution and ion-exchange behavior of zeolites and smectites in order to design and assess strategies for containing and cleaning up toxic and/or radioactive wastes. Cation-exchange and solid-solution models have been implemented in the EQ3/6 geochemical modeling package and used to predict the composition of clinoptilolite under a variety of conditions. Published free energies of cation exchange on clinoptilolite at 25{degrees}C were combined with the calorimetric data for clinoptilolite to derive free energies of formation of the component end members of a solid solution in which mixing is allowed only on the exchange site. The solid-solution model and component end-member data were incorporated into EQ3/6 and its data base. An option to treat cation exchange independently of the solid-solution model was also developed and implemented in EQ3/6. This option allows the user to model mixed-phase exchangers, multisite exchangers, and systems in which the exchanger is not in overall equilibrium with the solution. Two {open_quotes}ideal{close_quotes} cation-exchange conventions [Vanselow (mole fraction) and Gapon (equivalent fraction)] are currently implemented in the code. A description of the cation-exchange models and their implementation into EQ3/6 is presented, and the relationship between the exchange formalisms and the solid-solution models is discussed. The advantages and limitations of the models and currently available thermodynamic data are addressed by comparing cation-exchange compositions of clinoptilolites with (1) published binary exchange data; (2) compositions of coexisting clinoptilolites and formation waters at Yucca Mountain; and (3) experimental sorption isotherms of Cs and Sr on zeolitized tuff.

  20. 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)

  1. 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.

  2. 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.

  3. Protein hydrogen exchange: testing current models.

    PubMed

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

    2012-07-01

    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

  4. 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

  5. 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.

  6. Two dimensional model for multistream plate fin heat exchangers

    NASA Astrophysics Data System (ADS)

    Goyal, Mukesh; Chakravarty, Anindya; Atrey, M. D.

    2014-05-01

    A model based on finite volume analysis is presented here for multistream plate fin heat exchangers for cryogenic applications. The heat exchanger core is discretised in both the axial and transverse directions. The model accounts for effects of secondary parameters like axial heat conduction through the heat exchanger metal matrix, parasitic heat in-leak from surroundings, and effects of variable fluid properties/metal matrix conductivity. Since the fins are discretised in the transverse direction, the use of a fin efficiency is eliminated and the effects of transverse heat conduction/stacking pattern can be taken care of. The model is validated against results obtained using commercially available software and a good agreement is observed. Results from the developed code are discussed for sample heat exchangers.

  7. Modeling ion exchange in clinoptilolite using the EQ3/6 geochemical modeling code

    SciTech Connect

    Viani, B.E.; Bruton, C.J.

    1992-06-01

    Assessing the suitability of Yucca Mtn., NV as a potential repository for high-level nuclear waste requires the means to simulate ion-exchange behavior of zeolites. Vanselow and Gapon convention cation-exchange models have been added to geochemical modeling codes EQ3NR/EQ6, allowing exchange to be modeled for up to three exchangers or a single exchanger with three independent sites. Solid-solution models that are numerically equivalent to the ion-exchange models were derived and also implemented in the code. The Gapon model is inconsistent with experimental adsorption isotherms of trace components in clinoptilolite. A one-site Vanselow model can describe adsorption of Cs or Sr on clinoptilolite, but a two-site Vanselow exchange model is necessary to describe K contents of natural clinoptilolites.

  8. 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.

  9. 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.

  10. 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.

  11. Critique of a pion exchange model for interquark forces

    SciTech Connect

    Isgur, Nathan

    2000-09-01

    I describe four serious defects of a widely discussed pion exchange model for interquark forces: it does not solve the ''spin-orbit problem'' as advertised, it fails to describe the internal structure of baryon resonances, it leads to disastrous conclusions when extended to mesons, and it is not reasonably connected to the physics of heavy-light systems. While extensions of the original pion exchange model may be able to correct these defects, this catalogue of criticisms defines some of the most formidable problems such elaborations must address. (c) 2000 The American Physical Society.

  12. A Classical Model for Virtual Particle Exchange

    NASA Astrophysics Data System (ADS)

    Bullock, Daniel; Bixler, David

    2008-10-01

    As raindrops splash on the surface of a parking lot, a bubble of air may form briefly in a puddle. Some bubbles are very small and others can be rather large. They also vary in how long they last before releasing the air trapped inside in a manner reminiscent of high-energy particle collisions. When a bubble is formed, it essentially draws energy from the ``vacuum'' or surrounding medium, and the energy must be deposited back into the medium within a predictable time. The lifetime of a bubble may follow an uncertainty principle that determines the size or energy of the bubble. This research project attempts to formulate the uncertainty in the energy and lifetime of these bubbles and model the four fundamental forces based on the range of interaction. Just as spandex has been used and disproved as a model for the ``fabric of space-time,'' this bubble model may provide some insight into how elementary particles make up the fundamental forces of nature. This model will also be tested against a change in interaction medium to better correlate the data with known uncertainties.

  13. Inverse Modeling of Tracer Tests in Streams Undergoing Hyporheic Exchange

    NASA Astrophysics Data System (ADS)

    Liao, Zijie; Arie Cirpka, Olaf

    2010-05-01

    Hyporheic exchange has been identified as a key process in solute transport, biogeochemical cycling, and ecosystem functioning of streams. Physical solute transport through the hyporheic zone may be characterized by the total flux of water exchange and the distribution of hyporheic travel times. The classical method of obtaining travel-time distributions is an artificial-tracer experiment, in which an easy to detect compound is injected into the river, and the breakthrough curve (BTC) is measured at an observation point further downstream in the river. This BTC is affected by in-stream transport and hyporheic exchange as expressed in the transient storage model for linear solute transport in rivers undergoing hyporheic exchange: (∫ ) δc+ v-δc- D δ2c-= q tp(?)c(t- ?)exp(- λ?)d? - c(t) + q (c - c(t)) δt δx δx2 he 0 in in (1) in which v and D are the velocity and dispersion coefficient, respectively, qhe is the hyporheic exchange flux, ? is the travel-time coordinate in the hyporheic zone, p(?) is the probability density function of ?, λ is a first-order rate coefficient quantifying potential decay within the hyporheic zone, qin expresses lateral inflow, and cin is the corresponding concentration within that inflow. The target quantities are the exchange flux qhe and the nonnegative travel time distribution p(?) in the hyporheic zone. Common transient storage models use parametric distribution functions, such as the exponential, power-law, or log-normal distributions. By predefining the functional form of p(?), however, important features such as multimodality may remain unnoticed. We present a nonparametric approach of obtaining p(?) jointly with the other transport parameters by fitting BTCs of conservative and reactive solutes. For regularization p(?) is assumed autocorrelated, and nonnegativity is enforced by the method of Lagrange multipliers. The method extends a nonparametric deconvolution approach for the determination of transfer functions. It

  14. 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.

  15. Inequality measures in kinetic exchange models of wealth distributions

    NASA Astrophysics Data System (ADS)

    Ghosh, Asim; Chatterjee, Arnab; Inoue, Jun-ichi; Chakrabarti, Bikas K.

    2016-06-01

    In this paper, we study the inequality indices for some models of wealth exchange. We calculated Gini index and newly introduced k-index and compare the results with reported empirical data available for different countries. We have found lower and upper bounds for the indices and discuss the efficiencies of the models. Some exact analytical calculations are given for a few cases. We also exactly compute the quantities for Gamma and double Gamma distributions.

  16. 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.

  17. 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

  18. 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.

  19. 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

  20. 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.

  1. Entropy exchange and entanglement in the Jaynes-Cummings model

    NASA Astrophysics Data System (ADS)

    Boukobza, E.; Tannor, D. J.

    2005-06-01

    The Jaynes-Cummings model (JCM) is the simplest fully quantum model that describes the interaction between light and matter. We extend a previous analysis by Phoenix and Knight [Ann. Phys. 186, 381 (1988)] of the JCM by considering mixed states of both the light and matter. We present examples of qualitatively different entropic correlations. In particular, we explore the regime of entropy exchange between light and matter, i.e., where the rate of change of the two are anticorrelated. This behavior contrasts with the case of pure light-matter states in which the rate of change of the two entropies are positively correlated and in fact identical. We give an analytical derivation of the anticorrelation phenomenon and discuss the regime of its validity. Finally, we show a strong correlation between the region of the Bloch sphere characterized by entropy exchange and that characterized by minimal entanglement as measured by the negative eigenvalues of the partially transposed density matrix.

  2. 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.

  3. 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

  4. 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.

  5. Wealth condensation in a multiplicative random asset exchange model

    NASA Astrophysics Data System (ADS)

    Moukarzel, C. F.; Gonçalves, S.; Iglesias, J. R.; Rodríguez-Achach, M.; Huerta-Quintanilla, R.

    2007-04-01

    Random Asset Exchange (RAE) models, despite a number of simplifying assumptions, serve the purpose of establishing direct relationships between microscopic exchange mechanisms and observed economical data. In this work a conservative multiplicative RAE model is discussed in which, at each timestep, two agents “bet” for a fraction f of the poorest agent's wealth. When the poorest agent wins the bet with probability p, we show that, in a well defined region of the (p,f) phase space, there is wealth condensation. This means that all wealth ends up owned by only one agent, in the long run. We derive the condensation conditions analytically by two different procedures, and find results in accordance with previous numerical estimates. In the non-condensed phase, the equilibrium wealth distribution is a power law for small wealths. The associated exponent is derived analytically and it is found that it tends to -1 on the condensation interface. I turns out that wealth condensation happens also for values of p much larger than 0.5, that is under microscopic exchange rules that, apparently, favor the poor. We argue that the observed “rich get richer” effect is enhanced by the multiplicative character of the dynamics.

  6. 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.

  7. Realistic models of pion-exchange three-nucleon interactions

    SciTech Connect

    Pieper, Steven C.; Pandharipande, V. R.; Wiringa, R. B.; Carlson, J.

    2001-07-01

    We present realistic models of pion-exchange three-nucleon interactions obtained by fitting the energies of all the 17 bound or narrow states of 3{<=}A{<=}8 nucleons, calculated with less than 2% error using the Green's function Monte Carlo method. The models contain two-pion-exchange terms due to {pi}N scattering in S and P waves, three-pion-exchange terms due to ring diagrams with one {Delta} in the intermediate states, and a phenomenological repulsive term to take into account relativistic effects, the suppression of the two-pion-exchange two-nucleon interaction by the third nucleon, and other effects. The models have five parameters, consisting of the strength of the four interactions and the short-range cutoff. The 17 fitted energies are insufficient to determine all of them uniquely. We consider five models, each having three adjustable parameters and assumed values for the other two. They reproduce the observed energies with an rms error <1% when used together with the Argonne v{sub 18} two-nucleon interaction. In one of the models the {pi}N S-wave scattering interaction is set to zero; in all others it is assumed to have the strength suggested by chiral effective-field theory. One of the models also assumes that the {pi}N P-wave scattering interaction has the strength suggested by effective-field theories, and the cutoff is adjusted to fit the data. In all other models the cutoff is taken to be the same as in the v{sub 18} interaction. The effect of relativistic boost correction to the two-nucleon interaction on the strength of the repulsive three-nucleon interaction is estimated. Many calculated properties of A{<=}8 nuclei, including radii, magnetic dipole, and electric quadrupole moments, isobaric analog energy differences, etc., are tabulated. Results obtained with only Argonne v{sub 8}' and v{sub 18} interactions are also reported. In addition, we present results for seven- and eight-body neutron drops in external potential wells.

  8. 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

  9. 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

  10. 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.

  11. Mechanism of the Exchange Reaction in HRAS from Multiscale Modeling

    PubMed Central

    Kapoor, Abhijeet; Travesset, Alex

    2014-01-01

    HRAS regulates cell growth promoting signaling processes by cycling between active (GTP-bound) and inactive (GDP-bound) states. Understanding the transition mechanism is central for the design of small molecules to inhibit the formation of RAS-driven tumors. Using a multiscale approach involving coarse-grained (CG) simulations, all-atom classical molecular dynamics (CMD; total of 3.02 µs), and steered molecular dynamics (SMD) in combination with Principal Component Analysis (PCA), we identified the structural features that determine the nucleotide (GDP) exchange reaction. We show that weakening the coupling between the SwitchI (residues 25–40) and SwitchII (residues 59–75) accelerates the opening of SwitchI; however, an open conformation of SwitchI is unstable in the absence of guanine nucleotide exchange factors (GEFs) and rises up towards the bound nucleotide to close the nucleotide pocket. Both I21 and Y32, play a crucial role in SwitchI transition. We show that an open SwitchI conformation is not necessary for GDP destabilization but is required for GDP/Mg escape from the HRAS. Further, we present the first simulation study showing displacement of GDP/Mg away from the nucleotide pocket. Both SwitchI and SwitchII, delays the escape of displaced GDP/Mg in the absence of GEF. Based on these results, a model for the mechanism of GEF in accelerating the exchange process is hypothesized. PMID:25272152

  12. 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

  13. 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

  14. 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.

  15. 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.

  16. Modeling dynamic exchange of gaseous elemental mercury at polar sunrise.

    PubMed

    Dastoor, Ashu P; Davignon, Didier; Theys, Nicolas; Van Roozendael, Michel; Steffen, Alexandra; Ariya, Parisa A

    2008-07-15

    At polar sunrise, gaseous elemental mercury (GEM) undergoes an exceptional dynamic exchange in the air and at the snow surface during which GEM can be rapidly removed from the atmosphere (the so-called atmospheric mercury depletion events (AMDEs)) as well as re-emitted from the snow within a few hours to days in the Polar Regions. Although high concentrations of total mercury in snow following AMDEs is well documented, there is very little data available on the redox transformation processes of mercury in the snow and the fluxes of mercury at the air/snow interface. Therefore, the net gain of mercury in the Polar Regions as a result of AMDEs is still an open question. We developed a new version of the global mercury model, GRAHM, which includes for the first time bidirectional surface exchange of GEM in Polar Regions in spring and summer by developing schemes for mercury halogen oxidation, deposition, and re-emission. Also for the first time, GOME satellite data-derived boundary layer concentrations of BrO have been used in a global mercury model for representation of halogen mercury chemistry. Comparison of model simulated and measured atmospheric concentrations of GEM at Alert, Canada, for 3 years (2002-2004) shows the model's capability in simulating the rapid cycling of mercury during and after AMDEs. Brooks et al. (1) measured mercury deposition, reemission, and net surface gain fluxes of mercury at Barrow, AK, during an intensive measurement campaign for a 2 week period in spring (March 25 to April 7, 2003). They reported 1.7, 1.0 +/- 0.2, and 0.7 +/- 0.2 microg m(-2) deposition, re-emission, and net surface gain, respectively. Using the optimal configuration of the model, we estimated 1.8 microg m(-2) deposition, 1.0 microg m(-2) re-emission, and 0.8 microg m(-2) net surface gain of mercury for the same time period at Barrow. The estimated net annual accumulation of mercury within the Arctic Circle north of 66.5 degrees is approximately 174 t with +/-7 t of

  17. BIODEGRADATION AND GAS-EXCHANGE OF GASEOUS ALKANES IN MODEL ESTUARINE ECOSYSTEMS

    EPA Science Inventory

    Gas exchange-biodegradation experiments conducted in model estuarine ecosystems indicate that the ease of degradation of gaseious normal alkanes increases with chain length. The behavior of gaseous perhalogenated alkanes can be explained by gas exchange alone with no degradation....

  18. A probabilistic model of a porous heat exchanger

    NASA Technical Reports Server (NTRS)

    Agrawal, O. P.; Lin, X. A.

    1995-01-01

    This paper presents a probabilistic one-dimensional finite element model for heat transfer processes in porous heat exchangers. The Galerkin approach is used to develop the finite element matrices. Some of the submatrices are asymmetric due to the presence of the flow term. The Neumann expansion is used to write the temperature distribution as a series of random variables, and the expectation operator is applied to obtain the mean and deviation statistics. To demonstrate the feasibility of the formulation, a one-dimensional model of heat transfer phenomenon in superfluid flow through a porous media is considered. Results of this formulation agree well with the Monte-Carlo simulations and the analytical solutions. Although the numerical experiments are confined to parametric random variables, a formulation is presented to account for the random spatial variations.

  19. 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.

  20. Numerical modeling of pin-fin micro heat exchangers

    NASA Astrophysics Data System (ADS)

    Galvis, E.; Jubran, B. A.; Behdinan, F. Xi. K.; Fawaz, Z.

    2008-04-01

    A micro heat exchanger (MHE) can effectively control the temperature of surfaces in high heat flux applications. In this study, several turbulence models are analyzed using a 3D finite element model of a MHE. The MHE consists of a narrow planar flow passage between flat parallel plates with small cylindrical pin fins spanning these walls. The pin fin array geometry investigated is staggered, with pin diameters of 0.5, 5.1 and 8.5 mm, height to diameter ratio of 1.0 and streamwise (longitudinal) and spanwise (transverse) to diameter ratios of 1.5 and 2.5, respectively. Pressure loss and heat transfer simulated results for 4,000 ≤ Re ≤ 50,000 are reported and compared with previously published numerical and experimental results. It was found that the flat micro pin fin overall thermal performance always exceeds that of the parallel plate counterpart (smooth channel) by a factor of as much as 2.2 for the 8.5 mm diameter pins, and by 4 for the 0.5 mm diameter pins in the investigated Reynolds number range. Further, among the six turbulence models investigated, the RNG model tends to be the best model to predict both the Nusselt number and the friction factor and capture the main feature of the flow field in MHE.

  1. 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

  2. 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…

  3. 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.

  4. 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...

  5. 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

  6. 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

  7. 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

  8. Diffuse sorption modeling: apparent H/Na, or the same, Al/Na exchange on clays.

    PubMed

    Pivovarov, Sergey

    2009-08-15

    Clay minerals are specified by permanent negative surface charge. In solutions of sodium salts, the surface of clay is covered by exchangeable sodium ions. In an acidic field (pH<4-6), sodium ions are displaced from the surface. This apparent H/Na exchange is conditioned by dissolution of alumina, followed by Al/Na exchange. Two kinds of published experimental data were considered in order to follow Al/Na exchange: the first is direct measurement of exchangeable sodium and aluminum in clay, and the second is exchange sorption of trace metal. Because of the equivalency of ionic exchange, trace metal acts as a probe, indicating the sodium content in clay. These experimental data were successfully modeled with use of the Poisson-Boltzmann equation, with the assumption that all exchange cations are located in the diffuse layer. PMID:19464695

  9. 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…

  10. Computational modeling and optimization of proton exchange membrane fuel cells

    NASA Astrophysics Data System (ADS)

    Secanell Gallart, Marc

    Improvements in performance, reliability and durability as well as reductions in production costs, remain critical prerequisites for the commercialization of proton exchange membrane fuel cells. In this thesis, a computational framework for fuel cell analysis and optimization is presented as an innovative alternative to the time consuming trial-and-error process currently used for fuel cell design. The framework is based on a two-dimensional through-the-channel isothermal, isobaric and single phase membrane electrode assembly (MEA) model. The model input parameters are the manufacturing parameters used to build the MEA: platinum loading, platinum to carbon ratio, electrolyte content and gas diffusion layer porosity. The governing equations of the fuel cell model are solved using Netwon's algorithm and an adaptive finite element method in order to achieve quadratic convergence and a mesh independent solution respectively. The analysis module is used to solve two optimization problems: (i) maximize performance; and, (ii) maximize performance while minimizing the production cost of the MEA. To solve these problems a gradient-based optimization algorithm is used in conjunction with analytical sensitivities. The presented computational framework is the first attempt in the literature to combine highly efficient analysis and optimization methods to perform optimization in order to tackle large-scale problems. The framework presented is capable of solving a complete MEA optimization problem with state-of-the-art electrode models in approximately 30 minutes. The optimization results show that it is possible to achieve Pt-specific power density for the optimized MEAs of 0.422 gPt/kW. This value is extremely close to the target of 0.4 gPt/kW for large-scale implementation and demonstrate the potential of using numerical optimization for fuel cell design.

  11. 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.

  12. 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...

  13. 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.

  14. 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.

  15. 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.

  16. 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. PMID:27079355

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

    PubMed Central

    Woods, H. Arthur; Smith, Jennifer N.

    2010-01-01

    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. PMID:20404161

  18. 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. PMID:20404161

  19. 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.

  20. 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

  1. 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.

  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. 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…

  4. A Youth Exchange Model for Teaching about Natural Resources Development.

    ERIC Educational Resources Information Center

    Stitsworth, Michael H.

    A 4-H exchange program in which eight youth from the Dominican Republic came to Indiana and a like number of Purdue University-sponsored 4-H members visited the Dominican Republic is described. The program, sponsored by the U.S. Information Agency, was part of a larger program to strengthen youth leadership resources in both places through a…

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  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. A multi-species exchange model for fully fluctuating polymer field theory simulations

    SciTech Connect

    Düchs, Dominik; Delaney, Kris T.; Fredrickson, Glenn H.

    2014-11-07

    Field-theoretic models have been used extensively to study the phase behavior of inhomogeneous polymer melts and solutions, both in self-consistent mean-field calculations and in numerical simulations of the full theory capturing composition fluctuations. The models commonly used can be grouped into two categories, namely, species models and exchange models. Species models involve integrations of functionals that explicitly depend on fields originating both from species density operators and their conjugate chemical potential fields. In contrast, exchange models retain only linear combinations of the chemical potential fields. In the two-component case, development of exchange models has been instrumental in enabling stable complex Langevin (CL) simulations of the full complex-valued theory. No comparable stable CL approach has yet been established for field theories of the species type. Here, we introduce an extension of the exchange model to an arbitrary number of components, namely, the multi-species exchange (MSE) model, which greatly expands the classes of soft material systems that can be accessed by the complex Langevin simulation technique. We demonstrate the stability and accuracy of the MSE-CL sampling approach using numerical simulations of triblock and tetrablock terpolymer melts, and tetrablock quaterpolymer melts. This method should enable studies of a wide range of fluctuation phenomena in multiblock/multi-species polymer blends and composites.

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

    PubMed Central

    Swat, MJ; Moodie, S; Wimalaratne, SM; Kristensen, NR; Lavielle, M; Mari, A; Magni, P; Smith, MK; 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, AC; Kaye, R; Keizer, R; Kloft, C; Kok, JN; Kokash, N; Laibe, C; Laveille, C; Lestini, G; Mentré, F; Munafo, A; Nordgren, R; Nyberg, HB; Parra-Guillen, ZP; Plan, E; Ribba, B; Smith, G; Trocóniz, IF; Yvon, F; Milligan, PA; Harnisch, L; Karlsson, M; Hermjakob, H; Le Novère, N

    2015-01-01

    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. 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

  13. 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

  14. 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.

  15. Modelling of Spiral Coil Heat Exchanger: Model with Easy Simulation Using Ms-Excel

    NASA Astrophysics Data System (ADS)

    Khan, N. A.; Khan, A. M.; Kamil, M.

    2014-04-01

    A theoretical model has been presented for the measurement of heat transfer characteristics of a spiral coil heat exchanger under wet conditions. The solution is obtained using Ms Excel and the simulated results have been compared with the experimental data reported in open literature. It has been found that there is a good agreement between the simulated and experimental values. It is also observed that air mass flow rate and inlet air temperature have significant effect on the increase of the outlet water temperatures. Further outlet air and water temperature decreases with increasing water mass flow rate.

  16. 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…

  17. RESIDENTIAL AIR EXCHANGE RATES FOR USE IN INDOOR AIR AND EXPOSURE MODELING STUDIES

    EPA Science Inventory

    Data on air exchange rates are important inputs to indoor air quality models. ndoor air models, in turn, are incorporated into the structure of total human exposure models. ragmentary data on residential ventilation rates are available in various governmental reports, journal art...

  18. Quantitative Assessment of Protein Structural Models by Comparison of H/D Exchange MS Data with Exchange Behavior Accurately Predicted by DXCOREX

    NASA Astrophysics Data System (ADS)

    Liu, Tong; Pantazatos, Dennis; Li, Sheng; Hamuro, Yoshitomo; Hilser, Vincent J.; Woods, Virgil L.

    2012-01-01

    Peptide amide hydrogen/deuterium exchange mass spectrometry (DXMS) data are often used to qualitatively support models for protein structure. We have developed and validated a method (DXCOREX) by which exchange data can be used to quantitatively assess the accuracy of three-dimensional (3-D) models of protein structure. The method utilizes the COREX algorithm to predict a protein's amide hydrogen exchange rates by reference to a hypothesized structure, and these values are used to generate a virtual data set (deuteron incorporation per peptide) that can be quantitatively compared with the deuteration level of the peptide probes measured by hydrogen exchange experimentation. The accuracy of DXCOREX was established in studies performed with 13 proteins for which both high-resolution structures and experimental data were available. The DXCOREX-calculated and experimental data for each protein was highly correlated. We then employed correlation analysis of DXCOREX-calculated versus DXMS experimental data to assess the accuracy of a recently proposed structural model for the catalytic domain of a Ca2+-independent phospholipase A2. The model's calculated exchange behavior was highly correlated with the experimental exchange results available for the protein, supporting the accuracy of the proposed model. This method of analysis will substantially increase the precision with which experimental hydrogen exchange data can help decipher challenging questions regarding protein structure and dynamics.

  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. 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.

  1. Strong coupling theory for electron-mediated interactions in double-exchange models

    NASA Astrophysics Data System (ADS)

    Ishizuka, Hiroaki; Motome, Yukitoshi

    2015-07-01

    We present a theoretical framework for evaluating effective interactions between localized spins mediated by itinerant electrons in double-exchange models. Performing the expansion with respect to the spin-dependent part of the electron hopping terms, we show a systematic way of constructing the effective spin model in the large Hund's coupling limit. As a benchmark, we examine the accuracy of this method by comparing the results with the numerical solutions for the spin-ice type model on a pyrochlore lattice. We also discuss an extension of the method to the double-exchange models with Heisenberg and X Y localized spins.

  2. 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. PMID:22985114

  3. 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.

  4. 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.

  5. Dynamics of heat, water, and soluble gas exchange in the human airways: 1. A model study.

    PubMed

    Tsu, M E; Babb, A L; Ralph, D D; Hlastala, M P

    1988-01-01

    In order to provide a means for analysis of heat, water, and soluble gas exchange with the airways during tidal ventilation, a one dimensional theoretical model describing heat and water exchange in the respiratory airways has been extended to include soluble gas exchange with the airway mucosa and water exchange with the mucous layer lining the airways. Not only do heat, water, and gas exchange occur simultaneously, but they also interact. Heating and cooling of the airway surface and mucous lining affects both evaporative water and soluble gas exchange. Water evaporation provides a major source of heat exchange. The model-predicted mean airway temperature profiles agree well with literature data for both oral and nasal breathing validating that part of the model. With model parameters giving the best fit to experimental data, the model shows: (a) substantial heat recovery in the upper airways, (b) minimal respiratory heat and water loss, and (c) low average mucous temperatures and maximal increases in mucous thickness. For resting breathing of room air, heat and water conservation appear to be more important than conditioning efficiency. End-tidal expired partial pressures of very soluble gases eliminated by the lungs are predicted to be lower than the alveolar partial pressures due to the absorption of the expired gases by the airway mucosa. The model may be usable for design of experiments to examine mechanisms associated with the local hydration and dehydration dynamics of the mucosal surface, control of bronchial perfusion, triggering of asthma, mucociliary clearance and deposition of inhaled pollutant gases. PMID:3228218

  6. 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

  7. Analysis of a compartmental model of amyloid beta production, irreversible loss and exchange in humans.

    PubMed

    Elbert, Donald L; Patterson, Bruce W; Bateman, Randall J

    2015-03-01

    Amyloid beta (Aβ) peptides, and in particular Aβ42, are found in senile plaques associated with Alzheimer's disease. A compartmental model of Aβ production, exchange and irreversible loss was recently developed to explain the kinetics of isotope-labeling of Aβ peptides collected in cerebrospinal fluid (CSF) following infusion of stable isotope-labeled leucine in humans. The compartmental model allowed calculation of the rates of production, irreversible loss (or turnover) and short-term exchange of Aβ peptides. Exchange of Aβ42 was particularly pronounced in amyloid plaque-bearing participants. In the current work, we describe in much greater detail the characteristics of the compartmental model to two distinct audiences: physician-scientists and biokineticists. For physician-scientists, we describe through examples the types of questions the model can and cannot answer, as well as correct some misunderstandings of previous kinetic analyses applied to this type of isotope labeling data. For biokineticists, we perform a system identifiability analysis and a sensitivity analysis of the kinetic model to explore the global and local properties of the model. Combined, these analyses motivate simplifications from a more comprehensive physiological model to the final model that was previously presented. The analyses clearly demonstrate that the current dataset and compartmental model allow determination with confidence a single 'turnover' parameter, a single 'exchange' parameter and a single 'delay' parameter. When combined with CSF concentration data for the Aβ peptides, production rates may also be obtained. PMID:25497960

  8. 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

  9. 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.

  10. Demonstration of leapfrogging for implementing nonlinear model predictive control on a heat exchanger.

    PubMed

    Sridhar, Upasana Manimegalai; Govindarajan, Anand; Rhinehart, R Russell

    2016-01-01

    This work reveals the applicability of a relatively new optimization technique, Leapfrogging, for both nonlinear regression modeling and a methodology for nonlinear model-predictive control. Both are relatively simple, yet effective. The application on a nonlinear, pilot-scale, shell-and-tube heat exchanger reveals practicability of the techniques. PMID:26606850

  11. 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.

  12. Elastic pp Scattering at LHC Energies in Various Multi-Pomeron Exchange Models

    NASA Astrophysics Data System (ADS)

    Novikov, Ivan; Shabelski, Yuli

    2012-10-01

    We consider the data for elastic pp scattering in the framework of Regge theory in various models of multiple Pomeron exchanges: quasi-eikonal approach and two-channel approach. The results of the model calculations are compared with the experimental data presented by the TOTEM collaboration.

  13. The Interpersonal Exchange Model of Sexual Satisfaction: Implications for Sex Therapy with Couples.

    ERIC Educational Resources Information Center

    Byers, E. Sandra

    1999-01-01

    Little has been written in empirical or clinical literature about enhancement of sexual satisfaction, and there has not been a theoretical model to guide research on factors influencing sexual satisfaction. The Interpersonal Exchange Model of Sexual Satisfaction (IEMSS) was developed to fill the gaps. Article describes IEMSS and the studies that…

  14. Mathematical model of a plate fin heat exchanger operating under solid oxide fuel cell working conditions

    NASA Astrophysics Data System (ADS)

    Kaniowski, Robert; Poniewski, Mieczysław

    2013-12-01

    Heat exchangers of different types find application in power systems based on solid oxide fuel cells (SOFC). Compact plate fin heat exchangers are typically found to perfectly fit systems with power output under 5 kWel. Micro-combined heat and power (micro-CHP) units with solid oxide fuel cells can exhibit high electrical and overall efficiencies, exceeding 85%, respectively. These values can be achieved only when high thermal integration of a system is assured. Selection and sizing of heat exchangers play a crucial role and should be done with caution. Moreover, performance of heat exchangers under variable operating conditions can strongly influence efficiency of the complete system. For that reason, it becomes important to develop high fidelity mathematical models allowing evaluation of heat exchangers under modified operating conditions, in high temperature regimes. Prediction of pressure and temperatures drops at the exit of cold and hot sides are important for system-level studies. Paper presents dedicated mathematical model used for evaluation of a plate fin heat exchanger, operating as a part of micro-CHP unit with solid oxide fuel cells.

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

    PubMed Central

    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

  16. 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

  17. 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.

  18. 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.

  19. 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.

  20. 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...

  1. 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...

  2. 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.

  3. 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. PMID:26554646

  4. Experimental modeling of intergranular exchange coupling for perpendicular thin film media

    NASA Astrophysics Data System (ADS)

    Sokalski, Vincent; Laughlin, David E.; Zhu, Jian-Gang

    2009-09-01

    We present an experimental model system that enables quantitative assessment of intergranular exchange coupling in CoCrPt-oxide perpendicular magnetic recording media. A thin film structure consisting of a high coercivity CoPt unicrystal layer and a lower coercivity CoPt layer separated by a thin oxide interlayer is used to model perpendicularly magnetized grains separated by oxide grain boundaries. Exchange coupling energy between the CoPt layers was obtained for SiOx, TiOx, and CrOx interlayers by measuring field shifts from the lower coercivity layer. Cr segregation in CoCrPt grains to grain boundaries is also modeled experimentally and found to significantly suppress exchange coupling.

  5. 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

  6. Modeling the influence of the pulmonary pressure-volume curve on gas exchange.

    PubMed

    Smith, Bram; Rees, Stephen; Tvorup, Jan; Christensen, Casper; Andreassen, Steen

    2005-01-01

    Current models of lung mechanics and gas exchange act independently to simulate variations in pressure-volume (PV) and ventilation-perfusion (V/Q) properties in the lungs respectively. However, changes in ventilator pressures can cause alveoli recruitment, collapse or over-distension causing V/Q changes in the lungs that are unaccounted for in these models. A compartmental model of the lungs is presented that is based on a physiological interpretation of lung function and simulates each alveolus individually. By combining this model with currently available lung mechanics and gas exchange models, the effect of changing ventilator settings on gas exchange could be simulated. The model is shown to simulate experimentally measured static PV data from an ARDS patient with an accuracy equivalent to that achieved by the sigmoid function. It could enable quantification of variations in V/Q in the lungs and also gives estimates of other physiological lung properties such as lung density and alveoli compliance. The alveoli model offers a physiologically relevant method of simulating the PV relationship in the lungs and its influence of gas exchange. PMID:17282708

  7. 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.

  8. 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

  9. Method to improve catalyst layer model for modelling proton exchange membrane fuel cell

    NASA Astrophysics Data System (ADS)

    Zhang, Xiaoxian; Gao, Yuan; Ostadi, Hossein; Jiang, Kyle; Chen, Rui

    2015-09-01

    Correctly describing oxygen reduction within the cathode catalyst layer (CL) in modelling proton exchange membrane fuel cell is an important issue remaining unresolved. In this paper we show how to derive an agglomerate model for calculating oxygen reactions by describing dissolved oxygen in the agglomerates using two independent random processes. The first one is the probability that an oxygen molecule, which dissolves in the ionomer film on the agglomerate surface, moves into and then remains in the agglomerates; the second one is the probability of the molecule being consumed in reactions. The first probability depends on CL structure and can be directly calculated; the second one is derived by assuming that the oxygen reduction is first-order kinetic. It is found that the distribution functions of the first process can be fitted to a generalised gamma distribution function, which enables us to derive an analytical agglomerate model. We also expend the model to include oxygen dissolution in the ionomer film, and apply it to simulate cathode electrodes. The results reveal that the resistance to oxygen diffusion in ionomer film and agglomerate in modern CL is minor, and that the main potential loss is due to oxygen dissolution in the ionomer film.

  10. 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.

  11. Clausius inequality and H-theorems for some models of random wealth exchange

    NASA Astrophysics Data System (ADS)

    Apenko, Sergey M.

    2014-11-01

    We discuss a possibility of deriving an H-theorem for nonlinear discrete time evolution equation that describes random wealth exchanges. In such kinetic models economical agents exchange wealth in pairwise collisions just as particles in a gas exchange their energy. It appears useful to reformulate the problem and represent the dynamics as a combination of two processes. The first is a linear transformation of a two-particle distribution function during the act of exchange while the second one corresponds to new random pairing of agents and plays a role of some kind of feedback control. This representation leads to a Clausius-type inequality which suggests a new interpretation of the exchange process as an irreversible relaxation due to a contact with a reservoir of a special type. Only in some special cases when equilibrium distribution is exactly a gamma distribution, this inequality results in the H-theorem with monotonically growing ‘entropy’ functional which differs from the Boltzmann entropy by an additional term. But for arbitrary exchange rule the evolution has some features of relaxation to a non-equilibrium steady state and it is still unclear if any general H-theorem could exist.

  12. Heat exchange model in absorption chamber of water-direct-absorption-typed laser energy meter

    NASA Astrophysics Data System (ADS)

    Feng Wei, Ji; Qun Sun, Li; Zhang, Kai; Hu, XiaoYang; Zhou, Shan

    2015-04-01

    The interaction between laser and water flow is very complicated in the absorption chamber of a high energy laser (HEL) energy meter which directly uses water as an absorbing medium. Therefore, the heat exchange model cannot be studied through traditional methods, but it is the most important factor to improve heat exchange efficiency in the absorption chamber. After the exchanges of heat and mass were deeply analyzed, experimental study and numerical fitting were brought out. The original testing data of laser power and water flow temperature at one moment were utilized to calculate those at the next moment, and then the calculated temperature curve was compared with the measured one. If the two curves matched well, the corresponding coefficient was obtained. Meanwhile, numerous experiments were performed to study the effects of laser power, duration, focal spot scale, and water flow rate on heat exchange coefficient. In addition, the relationship between water phase change and heat exchange was analyzed. The heat exchange coefficient was increased by optimizing the construction of the absorption chamber or increasing water flow rate. The results provide the reference for design of water-direct-absorption-typed HEL energy meters, as well as for analysis of the interaction between other similar lasers and water flow.

  13. 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

  14. Dyadic Curve-of-Factors Model: An Introduction and Illustration of a Model for Longitudinal Non-Exchangeable Dyadic Data

    PubMed Central

    Whittaker, Tiffany A.; Beretvas, S. Natasha; Falbo, Toni

    2014-01-01

    The analysis of longitudinal data collected from non-exchangeable dyads presents a challenge for applied researchers for various reasons. This paper introduces the Dyadic Curve-of-Factors Model (D-COFM) which extends the Curve-of-Factors Model (COFM) proposed by McArdle (1988) for use with non-exchangeable dyadic data. The D-COFM overcomes problems with modeling composite scores across time and instead permits examination of the growth in latent constructs over time. The D-COFM also appropriately models the interdependency among non-exchangeable dyads. Different parameterizations of the D-COFM are illustrated and discussed using a real dataset to aid applied researchers when analyzing dyadic longitudinal data. PMID:24883011

  15. 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

  16. 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.

  17. 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.

  18. 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

  19. Hydrogen isotope exchange in beryllium co-deposits: modelling and experiment

    NASA Astrophysics Data System (ADS)

    Kogut, D.; Douai, D.; Baldwin, M. J.; Doerner, R. P.; Sinelnikov, D.; Mamedov, N.; Kurnaev, V.; Becker, H. W.; Schwarz-Selinger, T.

    2016-02-01

    In order to understand the interaction mechanisms between hydrogenic species and beryllium co-deposits, a 1D Diffusion Trapping Model of Isotopic eXchange in Be (DITMIX) is developed. Hydrogen depth profiles from DITMIX are in good agreement with those measured by 15N-NRA on pre-characterised 600 nm thick Be:H layers (H/Be = 0.04), which were irradiated by D ions with a low flux of 1017 m-2 s-1 and an energy of 5 keV D-1, for different fluences and surface temperatures. Hence DITMIX provides a qualitative understanding of the isotope exchange mechanisms, although modelled versus measured D profiles show less agreement in the bulk, casting some doubt on the processes involved. For such low fluxes, DITMIX shows that the main factors determining isotopic exchange are the irradiation fluence and the surface temperature.

  20. 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.

  1. 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

  2. Exchangeable lead from prediction models relates to vetiver lead uptake in different soil types.

    PubMed

    Andra, Syam S; Sarkar, Dibyendu; Saminathan, Sumathi K M; Datta, Rupali

    2011-12-01

    Prediction models for exchangeable soil lead, published earlier in this journal (Andra et al. 2010a), were developed using a suite of native lead (Pb) paint-contaminated residential soils from two US cities heavily populated with homes constructed prior to Pb ban in paints. In this study, we tested the feasibility and practical applications of these prediction models for developing a phytoremediation design using vetiver grass (Vetiveria zizanioides), a Pb-tolerant plant. The models were used to estimate the exchangeable fraction of Pb available for vetiver uptake in four lead-spiked soil types, both acidic and alkaline, with varying physico-chemical properties and that are different from those used to build the prediction models. Results indicate a strong correlation for predictable exchangeable Pb with the observed fraction and as well with total Pb accumulated by vetiver grass grown in these soils. The correlation coefficient for the predicted vs. observed exchangeable Pb with p < 0.001 was 0.999, 0.996, 0.949, and 0.998 in the Immokalee, Millhopper, Pahokee Muck, and Tobosa soil type, respectively. Similarly, the correlation coefficient for the predicted exchangeable Pb vs. accumulated Pb in vetiver grass with p < 0.001 was 0.948, 0.983, 0.929, and 0.969 for each soil type, respectively. This study suggests that the success of a phytoremediation design could be assessed upfront by predicting the exchangeable Pb fraction in a given soil type based on its properties. This helps in modifying the soil conditions to enhance phytoextraction of Pb from contaminated soils. PMID:21359998

  3. 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.

  4. Analysis of a compartmental model of amyloid beta production, irreversible loss and exchange in humans

    PubMed Central

    Elbert, Donald L.; Patterson, Bruce W.; Bateman, Randall J.

    2014-01-01

    Amyloid beta (Aβ) peptides, and in particular Aβ42, are found in senile plaques associated with Alzheimer's disease. A compartmental model of Aβ production, exchange and irreversible loss was recently developed to explain the kinetics of isotope-labeling of Aβ peptides collected in cerebrospinal fluid (CSF) following infusion of stable isotope-labeled leucine in humans. The compartmental model allowed calculation of the rates of production, irreversible loss (or turnover) and short-term exchange of Aβ peptides. Exchange of Aβ42 was particularly pronounced in amyloid plaque-bearing participants. In the current work, we describe in much greater detail the characteristics of the compartmental model to two distinct audiences: physician-scientists and biokineticists. For physician-scientists, we describe through examples the types of questions the model can and cannot answer, as well as correct some misunderstandings of previous kinetic analyses applied to this type of isotope labeling data. For biokineticists, we perform a system identifiability analysis and a sensitivity analysis of the kinetic model to explore the global and local properties of the model. Combined, these analyses motivate simplifications from a more comprehensive physiological model to the final model that was previously presented. The analyses clearly demonstrate that the current dataset and compartmental model allow determination with confidence a single ‘turnover’ parameter, a single ‘exchange’ parameter and a single ‘delay’ parameter. When combined with CSF concentration data for the Aβ peptides, production rates may also be obtained. PMID:25497960

  5. Monte-Carlo modeling of exchange bias properties in amorphous magnets

    NASA Astrophysics Data System (ADS)

    Hu, Yong; Du, An

    2015-11-01

    We explore the effect of interfacial disorder on exchange bias properties of a soft ferromagnet with a negligible intrinsic anisotropy exchange coupled to a hard amorphous magnet with a random magnetic anisotropy, based on an extensive Monte Carlo simulation. The interfacial disorder is introduced by using a '±J'' model. As compared to the conventionally crystalline ferromagnet/antiferromagnet bilayers, pronounced values and sign inversion in the exchange field are obtained at low temperature after cooling even under a weak field. However, the coercivity in the amorphous system not only shows smaller values, but also exhibits an opposite trend. Different from the ordered crystalline systems, the intrinsic properties of the Harris-Plischke-Zuckermann Hamiltonian rather than the domain structure determine the coercive fields and the shapes of hysteresis loops with different temperatures and cooling fields in the random magnetic anisotropy model, and hence the exchange bias. This theoretical work opens a new avenue for magnetism of the exchange bias and for its applications.

  6. Land atmosphere exchange of water and energy in global change modeling

    SciTech Connect

    Dickinson, R.E.

    1995-06-01

    The biosphere is crucially coupled to the atmosphere through exchanges of water and energy and these exchanges are important for the modeling of global climate change. Key surface properties for modeling inputs to the atmosphere are albedo, aerodynamic roughness, canopy resistance to water flux and water holding capacity of soils. This paper indicates how these affect climate models and what are current limitations in specifying them. One of the recent surprises from research in this area is the strong effect these processes can have on the atmospheric hydrological cycle, and especially precipitation. Modeling of the surface energy and water processes determines such important quantities as surface temperature and moisture availability for vegetation and runoff, and in general, the physical environment for the biosphere. Global atmospheric models are still inadequate for provision of realistic inputs of solar energy and precipitation, but are improving. Ultimately, their success depends on improved treatments of the atmospheric hydrological cycle, which is a key question for current climate research.

  7. 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.

  8. 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...

  9. Meson-exchange currents and quasielastic neutrino cross sections in the superscaling approximation model

    NASA Astrophysics Data System (ADS)

    Amaro, J. E.; Barbaro, M. B.; Caballero, J. A.; Donnelly, T. W.; Williamson, C. F.

    2011-01-01

    We evaluate the quasielastic double differential neutrino cross sections obtained in a phenomenological model based on the superscaling behavior of electron scattering data. We compare our results with the recent experimental data for neutrinos of MiniBooNE and estimate the contribution of the vector meson-exchange currents in the 2p-2h sector.

  10. 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.

  11. 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

  12. 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

  13. 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.

  14. Global evaluation of ammonia bi-directional exchange

    NASA Astrophysics Data System (ADS)

    Zhu, L.; Henze, D.; Bash, J.; Jeong, G.-R.; Cady-Pereira, K.; Shephard, M.; Luo, M.; Paulot, F.; Capps, S.

    2015-02-01

    Bi-directional air-surface exchange of ammonia (NH3) has been neglected in many air quality models. In this study, we implement the bi-directional exchange of NH3 in the GEOS-Chem global chemical transport model. We also introduce an updated diurnal variability scheme for NH3 livestock emissions and evaluate the recently developed MASAGE_NH3 bottom up inventory. While updated diurnal variability improves comparison of modeled-to-hourly in situ measurements in the Southeastern US, NH3 concentrations decrease throughout the globe, up to 17 ppb in India and Southeastern China, with corresponding decreases in aerosol nitrate by up to 7 μg m-3. The ammonium (NH4+) soil pool in the bi-directional exchange model largely extends the NH3 lifetime in the atmosphere. Including bi-directional exchange generally increases NH3 gross emissions (7.1%) and surface concentrations (up to 3.9 ppb) throughout the globe in July, except in India and Southeastern China. In April and October, it decreases NH3 gross emissions in the Northern Hemisphere (e.g., 43.6% in April in China) and increases NH3 gross emissions in the Southern Hemisphere. Bi-directional exchange does not largely impact NH4+ wet deposition overall. While bi-directional exchange is fundamentally a better representation of NH3 emissions from fertilizers, emissions from primary sources are still underestimated and thus significant model biases remain when compared to in situ measurements in the US. The adjoint of bi-directional exchange has also been developed for the GEOS-Chem model and is used to investigate the sensitivity of NH3 concentrations with respect to soil pH and fertilizer application rate. This study thus lays the groundwork for future inverse modeling studies to more directly constrain these physical processes rather than tuning bulk uni-directional NH3 emissions.

  15. Obtaining model parameters for real materials from ab-initio calculations: Heisenberg exchange

    NASA Astrophysics Data System (ADS)

    Korotin, Dmitry; Mazurenko, Vladimir; Anisimov, Vladimir; Streltsov, Sergey

    An approach to compute exchange parameters of the Heisenberg model in plane-wave based methods is presented. This calculation scheme is based on the Green's function method and Wannier function projection technique. It was implemented in the framework of the pseudopotential method and tested on such materials as NiO, FeO, Li2MnO3, and KCuF3. The obtained exchange constants are in a good agreement with both the total energy calculations and experimental estimations for NiO and KCuF3. In the case of FeO our calculations explain the pressure dependence of the Néel temperature. Li2MnO3 turns out to be a Slater insulator with antiferromagnetic nearest neighbor exchange defined by the spin splitting. The proposed approach provides a unique way to analyze magnetic interactions, since it allows one to calculate orbital contributions to the total exchange coupling and study the mechanism of the exchange coupling. The work was supported by a grant from the Russian Scientific Foundation (Project No. 14-22-00004).

  16. Experimental test of macroscopic models for exchange anisotropy in FM/AF bilayers

    NASA Astrophysics Data System (ADS)

    Rezende, S. M.; Azevedo, A.; de Aguiar, F. M.; Lucena, M. A.; Fermin, J. R.; Parkin, S. S. P.

    2004-05-01

    Ferromagnetic resonance measurements in two series of ferromagnetic (FM)/antiferromagnetic (AF) bilayer samples of NiFe( t)/NiO and CoFe( t)/IrMn have been used to test macroscopic models for exchange anisotropy. The domain-wall model incorporating a rotatable anisotropy field is the one that best fits the data. All fields of interfacial origin extracted from the fits show the predicted 1 t dependence with the FM layer thickness.

  17. 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 ...

  18. 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

  19. 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

  20. 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

  1. 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. PMID:27102304

  2. 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.

  3. 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

  4. A Generalized Model of E-trading for GSR Fair Exchange Protocol

    NASA Astrophysics Data System (ADS)

    Konar, Debajyoti; Mazumdar, Chandan

    In this paper we propose a generalized model of E-trading for the development of GSR Fair Exchange Protocols. Based on the model, a method is narrated to implement E-trading protocols that ensure fairness in true sense without using an additional trusted third party for which either party has to pay. The model provides the scope to include the correctness of the product, money atomicity and customer's anonymity properties within E-trading protocol. We conclude this paper by indicating the area of applicability for our model.

  5. Opinion formation in kinetic exchange models: Spontaneous symmetry-breaking transition

    NASA Astrophysics Data System (ADS)

    Lallouache, Mehdi; Chakrabarti, Anindya S.; Chakraborti, Anirban; Chakrabarti, Bikas K.

    2010-11-01

    We propose a minimal multiagent model for the collective dynamics of opinion formation in the society by modifying kinetic exchange dynamics studied in the context of income, money, or wealth distributions in a society. This model has an intriguing spontaneous symmetry-breaking transition to polarized opinion state starting from nonpolarized opinion state. In order to analyze the model, we introduce an iterative map version of the model, which has very similar statistical characteristics. An approximate theoretical analysis of the numerical results is also given, based on the iterative map version.

  6. New directions: Time for a new approach to modeling surface-atmosphere exchanges in air quality models?

    NASA Astrophysics Data System (ADS)

    Saylor, Rick D.; Hicks, Bruce B.

    2016-03-01

    Just as the exchange of heat, moisture and momentum between the Earth's surface and the atmosphere are critical components of meteorological and climate models, the surface-atmosphere exchange of many trace gases and aerosol particles is a vitally important process in air quality (AQ) models. Current state-of-the-art AQ models treat the emission and deposition of most gases and particles as separate model parameterizations, even though evidence has accumulated over time that the emission and deposition processes of many constituents are often two sides of the same coin, with the upward (emission) or downward (deposition) flux over a landscape depending on a range of environmental, seasonal and biological variables. In this note we argue that the time has come to integrate the treatment of these processes in AQ models to provide biological, physical and chemical consistency and improved predictions of trace gases and particles.

  7. 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. PMID:26253896

  8. Liquid droplet coalescence and fragmentation at the aqueous-air surface.

    PubMed

    Paneru, Govind; Law, Bruce M; Ibi, Koki; Ushijima, Baku; Flanders, Bret N; Aratono, Makoto; Matsubara, Hiroki

    2015-01-13

    For hexadecane oil droplets at an aqueous-air surface, the surface film in coexistence with the droplets exhibits two-dimensional gaseous (G), liquid (L), or solid (S) behavior depending upon the temperature and concentration of the cationic surfactant dodecyltrimethylammonium bromide. In the G (L) phase, oil droplets are observed to coalesce (fragment) as a function of time. In the coalescence region, droplets coalesce on all length scales, and the final state is a single oil droplet at the aqueous-air surface. The fragmentation regime is complex. Large oil droplets spread as oil films; hole nucleation breaks up this film into much smaller fluctuating and fragmenting or metastable droplets. Metastable droplets are small contact angle spherical caps and do not fluctuate in time; however, they are unstable over long time periods and eventually sink into the bulk water phase. Buoyancy forces provide a counterbalancing force where the net result is that small oil droplets (radius r < 80 μm) are mostly submerged in the bulk aqueous medium with only a small fraction protruding above the liquid surface. In the G phase, a mechanical stability theory for droplets at liquid surfaces indicates that droplet coalesce is primarily driven by surface tension effects. This theory, which only considers spherical cap shaped surface droplets, qualitatively suggests that in the L phase the sinking of metastable surface droplets into the bulk aqueous medium is driven by a negative line tension and a very small spreading coefficient. PMID:25477297

  9. 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

  10. 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

  11. Residential air exchange rates for use in indoor air and exposure modeling studies.

    PubMed

    Pandian, M D; Ott, W R; Behar, J V

    1993-01-01

    Data on air exchange rates are important inputs to indoor air quality models. Indoor air models, in turn, are incorporated into the structure of total human exposure models. Fragmentary data on residential ventilation rates are available in various governmental reports, journal articles, and contractor reports. Most of the published papers present data on only a few homes to answer very specialized questions, and none of these publications summarize the ventilation rates of a large population of homes across the United States. Brookhaven National Laboratory (BNL) has conducted more than 4000 residential perfluorocarbon tracer (PFT) measurements and brought them together into a large data base from about 100 studies in the United States and elsewhere. This paper analyzes the BNL PFT data base to generate frequency distributions and summary statistics for different regions of the United States, different seasons, and different levels within the homes. The data analyses suggest that residential ventilation rates are similar in the northeastern and northwestern states but higher in the southwestern states. Winter and fall ventilation rates are similar, but the rates are slightly higher in spring, and much higher in summer. Multi-level residences have higher air exchange rates than single-level residences. Although the BNL data are not a representative sample of homes in the United States, these analyses give insight into the range of air exchange rates found in the United States under a great variety of conditions and are intended for use by developers of models of indoor air quality and total human exposure. PMID:8173341

  12. 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.

  13. 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.

  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. Potential impact of rainfall on the air-surface exchange of total gaseous mercury from two common urban ground surfaces

    NASA Astrophysics Data System (ADS)

    Gabriel, Mark C.; Williamson, Derek G.; Brooks, Steve

    2011-03-01

    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 that concentrate many substances (eroded soil, leaf and vegetation litter, automobile debris, industrial atmospheric fallout) which can contain elevated mercury concentrations. In this study, the primary analyses included (i) observing the time series flux of TGM from pavement and street dirt following surface wetting and (ii) determining if wet deposition provides a fresh source of mercury that is available for release (emission) when applied to these surfaces. Application of de-ionized water (DI) and rainwater both induced an immediate 65% increase in TGM emission from pavement (from 0.5 to 1.4 ng m -2 h -1 [based on averages]). For street dirt, an immediate 70% increase in emission was induced following DI water application (from 3.0 to 9.0 ng m -2 h -1 [based on averages]) and an immediate 30% increase in emission following rainwater application (from 4.5 to 6.5 ng m -2 h -1 [based on averages]). Both surfaces showed continuous elevated release of TGM following the initial water application stage. There was a decrease in emission as the pavement surface dried. Despite the difference in immediate TGM emission from street dirt using both solutions, statistical evaluation indicated there was no prolonged difference. This suggests that mercury in rainwater was not available for re-emission when applied to these surfaces, at least for the time frame studied (2 h after water application). Therefore, it is likely that the elevated TGM emission following water application resulted primarily from pre-existing mercury. Removal of pre-existing mercury by water application followed a zero order process for both surfaces; however, removal rates were much different for each surface ( k = 0.26 ng m -2 min -1 for street dirt; k = 0.03 ng m -2 min -1 for pavement). Results from laboratory surface washing experiments revealed only 0.1% of all available surface-bound mercury on pavement was removed by surface emission 90 min after a simulated light rainfall event (0.13 cm of rainfall).

  16. Water exchanges versus water works: Insights from a computable general equilibrium model for the Balearic Islands

    NASA Astrophysics Data System (ADS)

    Gómez, Carlos M.; Tirado, Dolores; Rey-Maquieira, Javier

    2004-10-01

    We present a computable general equilibrium model (CGE) for the Balearic Islands, specifically performed to analyze the welfare gains associated with an improvement in the allocation of water rights through voluntary water exchanges (mainly between the agriculture and urban sectors). For the implementation of the empirical model we built the social accounting matrix (SAM) from the last available input-output table of the islands (for the year 1997). Water exchanges provide an important alternative to make the allocation of water flexible enough to cope with the cyclical droughts that characterize the natural water regime on the islands. The main conclusion is that the increased efficiency provided by "water markets" makes this option more advantageous than the popular alternative of building new desalinization plants. Contrary to common opinion, a "water market" can also have positive and significant impacts on the agricultural income.

  17. Water exchanges versus water works: Insights from a computable general equilibrium model for the Balearic Islands

    NASA Astrophysics Data System (ADS)

    Gómez, Carlos M.; Tirado, Dolores; Rey-Maquieira, Javier

    2004-10-01

    We present a computable general equilibrium model (CGE) for the Balearic Islands, specifically performed to analyze the welfare gains associated with an improvement in the allocation of water rights through voluntary water exchanges (mainly between the agriculture and urban sectors). For the implementation of the empirical model we built the social accounting matrix (SAM) from the last available input-output table of the islands (for the year 1997). Water exchanges provide an important alternative to make the allocation of water flexible enough to cope with the cyclical droughts that characterize the natural water regime on the islands. The main conclusion is that the increased efficiency provided by ``water markets'' makes this option more advantageous than the popular alternative of building new desalinization plants. Contrary to common opinion, a ``water market'' can also have positive and significant impacts on the agricultural income.

  18. Plate fin heat exchanger model with axial conduction and variable properites

    NASA Astrophysics Data System (ADS)

    Hansen, Benjamin Jacob; White, Michael Joseph; Klebaner, Arkadiy

    2012-06-01

    Future superconduction 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 exchanger are an effective option. However, 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 numberical model that includes the effects of axial guide design decisions on heat exhanger 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.

  19. 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.

  20. 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.

  1. 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.

  2. Mathematical modeling of heat transfer in Pu-238 ion exchange columns

    SciTech Connect

    Wehner, J.A.

    1987-01-01

    The safety of increased Pu-238 loading on the larger ion exchange columns to be installed in the H-Canyon Frames was examined from the standpoint of the temperature increase of a fully-loaded column, following a flow interruption. A mathematical model incorporating self-heating and resin degradation was developed. Transient temperature profiles generated by this model indicate that the column loading limits may be safely scaled up in proportion to the column diameters. This model was also used to demonstrate that a short agitation period following an incomplete product elution step will appreciably decrease the maximum temperature rise of the resin bed.

  3. 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…

  4. 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

  5. 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.

  6. Cesium migration in Hanford sediment: a multisite cation exchange model based on laboratory transport experiments

    NASA Astrophysics Data System (ADS)

    Steefel, Carl I.; Carroll, Susan; Zhao, Pihong; Roberts, Sarah

    2003-12-01

    Cs + transport experiments carried out in columns packed with uncontaminated Hanford formation sediment from the SX tank farm provide strong support for the use of a multisite, multicomponent cation exchange model to describe Cs + migration in the Hanford vadose zone. The experimental results indicate a strong dependence of the effective Cs +Kd on the concentrations of other cations, including Na + that is present at high to extremely high concentrations in fluids leaking from the Hanford SX tanks. A strong dependence of the Cs +Kd on the aqueous Cs + concentration is also apparent, with retardation of Cs + increasing from a value of 41 at a Cs + concentration of 10 -4 M in the feed solution to as much as 282 at a Cs + concentration of 5×10 -7 M, all in a background of 1 M NaNO 3. The total cation exchange capacity (CEC) of the Hanford sediment was determined using 22Na isotopic equilibrium exchange in a flow-through column experiment. The value for the CEC of 120 μeq/g determined with this method is compatible with a value of 121.9 μeq/g determined by multi-cation elution. While two distinct exchange sites were proposed by Zachara et al. [Geochim. Cosmochim. Acta 66 (2002) 193] based on binary batch exchange experiments, a third site is proposed in this study to improve the fit of the Cs +-Na + and Cs +-Ca + exchange data and to capture self-sharpened Cs + breakthrough curves at low concentrations of Cs +. Two of the proposed exchange sites represent frayed edge sites (FES) on weathered micas and constitute 0.02% and 0.22% of the total CEC. Both of the FES show a very strong selectivity for Cs + over Na + ( KNa-Cs=10 7.22 and 10 4.93, respectively). The third site, accounting for over 99% of the total CEC, is associated with planar sites on expansible clays and shows a smaller Na +-Cs + selectivity coefficient of 10 1.99. Parameters derived from a fit of binary batch experiments alone tend to under predict Cs + retardation in the column experiments. The

  7. Cesium migration in Hanford sediment: a multisite cation exchange model based on laboratory transport experiments.

    PubMed

    Steefel, Carl I; Carroll, Susan; Zhao, Pihong; Roberts, Sarah

    2003-12-01

    Cs+ transport experiments carried out in columns packed with uncontaminated Hanford formation sediment from the SX tank farm provide strong support for the use of a multisite, multicomponent cation exchange model to describe Cs+ migration in the Hanford vadose zone. The experimental results indicate a strong dependence of the effective Cs+ Kd on the concentrations of other cations, including Na+ that is present at high to extremely high concentrations in fluids leaking from the Hanford SX tanks. A strong dependence of the Cs+ Kd on the aqueous Cs+ concentration is also apparent, with retardation of Cs+ increasing from a value of 41 at a Cs+ concentration of 10(-4) M in the feed solution to as much as 282 at a Cs+ concentration of 5x10(-7) M, all in a background of 1 M NaNO3. The total cation exchange capacity (CEC) of the Hanford sediment was determined using 22Na isotopic equilibrium exchange in a flow-through column experiment. The value for the CEC of 120 microeq/g determined with this method is compatible with a value of 121.9 microeq/g determined by multi-cation elution. While two distinct exchange sites were proposed by Zachara et al. [Geochim. Cosmochim. Acta 66 (2002) 193] based on binary batch exchange experiments, a third site is proposed in this study to improve the fit of the Cs+-Na+ and Cs+-Ca+ exchange data and to capture self-sharpened Cs+ breakthrough curves at low concentrations of Cs+. Two of the proposed exchange sites represent frayed edge sites (FES) on weathered micas and constitute 0.02% and 0.22% of the total CEC. Both of the FES show a very strong selectivity for Cs+ over Na+ (K(Na-Cs)=10(7.22) and 10(4.93), respectively). The third site, accounting for over 99% of the total CEC, is associated with planar sites on expansible clays and shows a smaller Na+-Cs+ selectivity coefficient of 10(1.99). Parameters derived from a fit of binary batch experiments alone tend to under predict Cs+ retardation in the column experiments. The transport

  8. 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.

  9. A three-dimensional multiscale model for gas exchange in fruit.

    PubMed

    Ho, Quang Tri; Verboven, Pieter; Verlinden, Bert E; Herremans, Els; Wevers, Martine; Carmeliet, Jan; Nicolaï, Bart M

    2011-03-01

    Respiration of bulky plant organs such as roots, tubers, stems, seeds, and fruit depends very much on oxygen (O2) availability and often follows a Michaelis-Menten-like response. A multiscale model is presented to calculate gas exchange in plants using the microscale geometry of the tissue, or vice versa, local concentrations in the cells from macroscopic gas concentration profiles. This approach provides a computationally feasible and accurate analysis of cell metabolism in any plant organ during hypoxia and anoxia. The predicted O2 and carbon dioxide (CO2) partial pressure profiles compared very well with experimental data, thereby validating the multiscale model. The important microscale geometrical features are the shape, size, and three-dimensional connectivity of cells and air spaces. It was demonstrated that the gas-exchange properties of the cell wall and cell membrane have little effect on the cellular gas exchange of apple (Malus×domestica) parenchyma tissue. The analysis clearly confirmed that cells are an additional route for CO2 transport, while for O2 the intercellular spaces are the main diffusion route. The simulation results also showed that the local gas concentration gradients were steeper in the cells than in the surrounding air spaces. Therefore, to analyze the cellular metabolism under hypoxic and anoxic conditions, the microscale model is required to calculate the correct intracellular concentrations. Understanding the O2 response of plants and plant organs thus not only requires knowledge of external conditions, dimensions, gas-exchange properties of the tissues, and cellular respiration kinetics but also of microstructure. PMID:21224337

  10. A review of air exchange rate models for air pollution exposure assessments.

    PubMed

    Breen, Michael S; Schultz, Bradley D; Sohn, Michael D; Long, Thomas; Langstaff, John; Williams, Ronald; Isaacs, Kristin; Meng, Qing Yu; Stallings, Casson; Smith, Luther

    2014-11-01

    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 the rate of exchange of indoor air with outdoor air, is an important determinant for entry of outdoor air pollutants and for removal of indoor-emitted air pollutants. This paper presents an overview and critical analysis of the scientific literature on empirical and physically based AER models for residential and commercial buildings; the models highlighted here are feasible for exposure assessments as extensive inputs are not required. Models are included for the three types of airflows that can occur across building envelopes: leakage, natural ventilation, and mechanical ventilation. Guidance is provided to select the preferable AER model based on available data, desired temporal resolution, types of airflows, and types of buildings included in the exposure assessment. For exposure assessments with some limited building leakage or AER measurements, strategies are described to reduce AER model uncertainty. This review will facilitate the selection of AER models in support of air pollution exposure assessments. PMID:23715084

  11. 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.

  12. 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. PMID:26159674

  13. Modeled natural and excess radiocarbon: Sensitivities to the gas exchange formulation and ocean transport strength

    NASA Astrophysics Data System (ADS)

    Müller, S. A.; Joos, F.; Plattner, G.-K.; Edwards, N. R.; Stocker, T. F.

    2008-09-01

    Observation-based surface ocean Δ14C distributions and regional inventories for excess, bomb-produced radiocarbon are compared with results of two ocean models of intermediate complexity. By applying current descriptions of the air-sea gas exchange the models produce similar column inventories for excess 14C among all basins. This result is robust across a wide range of transport parameter settings, but inconsistent with data-based inventories. In the absence of evidence of fundamentally different gas exchange mechanisms in the North Atlantic than in the other basins, we infer regional North Atlantic 14C inventories which are considerably smaller than previous estimates. The results further suggest that the gas exchange velocity field should be reduced by (19 ± 16)%, which corresponds to a global mean air-sea gas transfer rate for CO2 in seawater of 17.1 ± 3.3 cm h-1, to find good agreement of simulated quantities with a range of data-based metrics.

  14. 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.

  15. 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.

  16. Preliminary findings of the Viking gas exchange experiment and a model for Martian surface chemistry

    NASA Technical Reports Server (NTRS)

    Oyama, V. I.; Berdahl, B. J.; Carle, G. C.

    1977-01-01

    Earlier results reported from the Viking Lander-1 experiment are reexamined and interpreted in terms of a model of the Martian soil surface morphology and chemistry. Major events in the gas exchange experiment (GEX) first cycle are tabulated and data are presented on the sample processing and transport environments experienced by the soil samples. Oxygen and CO2 evolved from humidified Martian soil in GEX and slight changes in N2 present are investigated. A soil model involving iron oxide coating on silicate material is entertained to yield a mechanistic explanation of the experimental findings, and invocation of biotic processes is eschewed.

  17. Basic kinetic wealth-exchange models: common features and open problems

    NASA Astrophysics Data System (ADS)

    Patriarca, M.; Heinsalu, E.; Chakraborti, A.

    2010-01-01

    We review the basic kinetic wealth-exchange models of Angle [J. Angle, Social Forces 65, 293 (1986); J. Math. Sociol. 26, 217 (2002)], Bennati [E. Bennati, Rivista Internazionale di Scienze Economiche e Commerciali 35, 735 (1988)], Chakraborti and Chakrabarti [A. Chakraborti, B. K. Chakrabarti, Eur. Phys. J. B 17, 167 (2000)], and of Dragulescu and Yakovenko [A. Dragulescu, V.M. Yakovenko, Eur. Phys. J. B 17, 723 (2000)]. Analytical fitting forms for the equilibrium wealth distributions are proposed. The influence of heterogeneity is investigated, the appearance of the fat tail in the wealth distribution and the relaxation to equilibrium are discussed. A unified reformulation of the models considered is suggested.

  18. 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.

  19. 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

  20. 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

  1. 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

  2. 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

  3. 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.

  4. 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.

  5. Improving Evolutionary Models for Mitochondrial Protein Data with Site-Class Specific Amino Acid Exchangeability Matrices

    PubMed Central

    Dunn, Katherine A.; Jiang, Wenyi; Field, Christopher; Bielawski, Joseph P.

    2013-01-01

    Adequate modeling of mitochondrial sequence evolution is an essential component of mitochondrial phylogenomics (comparative mitogenomics). There is wide recognition within the field that lineage-specific aspects of mitochondrial evolution should be accommodated through lineage-specific amino-acid exchangeability matrices (e.g., mtMam for mammalian data). However, such a matrix must be applied to all sites and this implies that all sites are subject to the same, or largely similar, evolutionary constraints. This assumption is unjustified. Indeed, substantial differences are expected to arise from three-dimensional structures that impose different physiochemical environments on individual amino acid residues. The objectives of this paper are (1) to investigate the extent to which amino acid evolution varies among sites of mitochondrial proteins, and (2) to assess the potential benefits of explicitly modeling such variability. To achieve this, we developed a novel method for partitioning sites based on amino acid physiochemical properties. We apply this method to two datasets derived from complete mitochondrial genomes of mammals and fish, and use maximum likelihood to estimate amino acid exchangeabilities for the different groups of sites. Using this approach we identified large groups of sites evolving under unique physiochemical constraints. Estimates of amino acid exchangeabilities differed significantly among such groups. Moreover, we found that joint estimates of amino acid exchangeabilities do not adequately represent the natural variability in evolutionary processes among sites of mitochondrial proteins. Significant improvements in likelihood are obtained when the new matrices are employed. We also find that maximum likelihood estimates of branch lengths can be strongly impacted. We provide sets of matrices suitable for groups of sites subject to similar physiochemical constraints, and discuss how they might be used to analyze real data. We also discuss how

  6. Modeling of ion exchange expanded-bed chromatography for the purification of C-phycocyanin.

    PubMed

    Moraes, Caroline Costa; Mazutti, Marcio A; Maugeri, Francisco; Kalil, Susana Juliano

    2013-03-15

    This work is focused on the experimental evaluation and mathematical modeling of ion exchange expanded-bed chromatography for the purification of C-phycocyanin from crude fermentative broth containing Spirulina platensis cells. Experiments were carried out in different expansion degree to evaluate the process performance. The experimental breakthrough curves were used to estimate the mass transfer and kinetics parameters of the proposed model, using the Particle Swarm Optimization algorithm (PSO). The proposed model satisfactorily fitted the experimental data. The results from the model application pointed out that the increase in the initial bed height does not influence the process efficiency, however enables the operation of expanded-bed column at high volumetric flow rates, improving the productivity. It was also shown that the use of mathematical modeling was a good and promising tool for the optimization of chromatographic processes. PMID:23411140

  7. 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

  8. 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

  9. 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.

  10. 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

  11. Multi-model terrestrial and oceanic carbon exchange estimates from data assimilation in GEOCARBON

    NASA Astrophysics Data System (ADS)

    van der Laan-Luijkx, I.; Peters, W.; Peylin, P.; Dolman, A. J.; Gerbig, C.; Zaehle, S.; Rödenbeck, C.; Schürmann, G. J.; Scholze, M.; Kaminski, T.; Williams, M. D.; Bloom, A. A.; Toque, N.; Dobricic, S.; Vichi, M.; Masina, S.; Bertino, L.; Heinze, C.; Gloor, E.

    2012-12-01

    The European Union FP7 project GEOCARBON aims to synthesize existing observations, data products, and models that inform on the recent carbon balance of the oceans and terrestrial biosphere. One of its components specifically employs data assimilation techniques to optimally combine observations and process models. To capture the large range of carbon exchange estimates that is often possible within the limited observational constraints, a wide variety of methods and models is included in GEOCARBON. A significant effort is made to quantitatively assess the outcome of each data assimilation system, to identify robust features across methods, and to synthesize multi-model results into a final estimate of land and ocean carbon exchange, and its uncertainty. We will present the first results from data assimilation of a variety of observations (atmospheric CO2 mole fractions, surface ocean pCO2, ocean chlorophyll, biomass surveys, and eddy-covariance CO2 fluxes) in a variety of systems (atmospheric inversions, biosphere model optimizations, ocean CCDAS) using a variety of techniques (4dVar, ensemble kalman filtering). Our first analyses will focus on independent evaluation of the results and quantification of the uncertainties on our estimates.

  12. 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

  13. A High-Resolution Modeling Study of the Bosphorus Strait Dynamics and Exchange Flows

    NASA Astrophysics Data System (ADS)

    Sözer, Adil; Sannino, Gianmaria; Özsoy, Emin

    2013-04-01

    An all-time modelling challenge aims to establish a sound understanding of the high energy environment of the Turkish Straits System, relating to inter-basin water and material transports and their influence on the sensitive ecosystems of the adjacent seas. As a first step in this direction, well resolved, high level, physically representative predictive models of the Bosphorus Strait exchange flow hydrodynamics are developed, adequately representing its complex topography, hydraulic controls, dissipative hydraulic jumps, mixing and turbulence mechanisms, with the application of appropriate basin boundary and initial conditions and judiciously selected numerical and physical model options. Both the ROMS and MITgcm models are used and compared for performance. Idealized and real case model results successfully reproduce observed flow features. The unique maximal exchange regime of the Bosphorus Strait, with hydraulic controls are demonstrated, although frictional effects, especially of the highly irregular lateral boundaries, are found to be extremely important, associated with mixing and entrainment and nonlinear dynamics determining the two-way fluxes as a function of sea-level changes across the strait. The intercomparison of ROMS and MITgcm results are extremely satisfactory in the basic elements of the flow, except for some small differences.

  14. 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.

  15. Modelling microbial exchanges between forms of soil nitrogen in contrasting ecosystems

    NASA Astrophysics Data System (ADS)

    Pansu, M.; Machado, D.; Bottner, P.; Sarmiento, L.

    2014-02-01

    Although nitrogen (N) is often combined with carbon (C) in organic molecules, C passes from the air to the soil through plant photosynthesis, whereas N passes from the soil to plants through a chain of microbial conversions. However, dynamic models do not fully consider the microorganisms at the centre of exchange processes between organic and mineral forms of N. This study monitored the transfer of 14C and 15N between plant materials, microorganisms, humified compartments, and inorganic forms in six very different ecosystems along an altitudinal transect. The microbial conversions of the 15N forms appear to be strongly linked to the previously modelled C cycle, and the same equations and parameters can be used to model both C and N cycles. The only difference is in the modelling of the flows between microbial and inorganic forms. The processes of mineralization and immobilization of N appear to be regulated by a two-way microbial exchange depending on the C : N ratios of microorganisms and available substrates. The MOMOS (Modelling of Organic Matter of Soils) model has already been validated for the C cycle and also appears to be valid for the prediction of microbial transformations of N forms. This study shows that the hypothesis of microbial homeostasis can give robust predictions at global scale. However, the microbial populations did not appear to always be independent of the external constraints. At some altitudes their C : N ratio could be better modelled as decreasing during incubation and increasing with increasing C storage in cold conditions. The ratio of potentially mineralizable-15N/inorganic-15N and the 15N stock in the plant debris and the microorganisms was modelled as increasing with altitude, whereas the 15N storage in stable humus was modelled as decreasing with altitude. This predicts that there is a risk that mineralization of organic reserves in cold areas may increase global warming.

  16. 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.

  17. 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.

  18. 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

  19. Modeling Electronic Polarizability Changes in the Course of a Magnesium Ion Water Ligand Exchange Process.

    PubMed

    Kurnikov, Igor V; Kurnikova, Maria

    2015-08-13

    This paper introduces explicit dependence of atomic polarizabilities on intermolecular interactions within the framework of a polarizable force field AMOEBA. Polarizable models used in biomolecular simulations often poorly describe molecular electrostatic induction in condensed phase, in part, due to neglect of a strong dependency of molecular electronic polarizability on intermolecular interactions at short distances. Our variable polarizability model parameters are derived from quantum chemical calculations of small clusters of atoms and molecules, and can be applied in simulations in condensed phase without additional scaling factors. The variable polarizability model is applied to simulate a ligand exchange reaction for a Mg(2+) ion solvated in water. Explicit dependence of water polarizability on a distance between a water oxygen and Mg(2+) is derived from in vacuum MP2 calculations of Mg(2+)-water dimer. The simulations yield a consistent description of the energetics of the Mg(2+)-water clusters of different size. Simulations also reproduce thermodynamics of ion solvation as well as kinetics of a water ligand exchange reaction. In contrast, simulations that used the additive force field or that used the constant polarizability models were not able to consistently and quantitatively describe the properties of the solvated Mg(2+) ion. PMID:26109375

  20. 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.

  1. 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.

  2. Segregation parameters and pair-exchange mixing models for turbulent nonpremixed flames

    NASA Technical Reports Server (NTRS)

    Chen, J.-Y.; Kollman, W.

    1991-01-01

    The progress of chemical reactions in nonpremixed turbulent flows depends on the coexistence of reactants, which are brought together by mixing. The degree of mixing can strongly influence the chemical reactions and it can be quantified by segregation parameters. In this paper, the relevance of segregation parameters to turbulent mixing and chemical reactions is explored. An analysis of the pair-exchange mixing models is performed and an explanation is given for the peculiar behavior of such models in homogeneous turbulence. The nature of segregation parameters in a H2/Ar-air nonpremixed jet flame is investigated. The results show that Monte Carlo simulation with the modified Curl's mixing model predicts segregation parameters in close agreement with the experimental values, providing an indirect validation for the theoretical model.

  3. 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.

  4. 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

  5. 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

  6. Predicting Residential Air Exchange Rates from Questionnaires and Meteorology: Model Evaluation in Central North Carolina

    PubMed Central

    2010-01-01

    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. PMID:21069949

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. Modeling near-wall interphase exchanges for particle-laden flows

    NASA Astrophysics Data System (ADS)

    Desjardins, Olivier; Capecelatro, Jesse; National Renewable Energy Lab Collaboration

    2012-11-01

    In Eulerian-Lagrangian and Eulerian-Eulerian modeling approaches of dispersed multiphase flows, proper treatment of mass and momentum transfer between the phases is required to capture the correct physical behavior. Coupling often involves the volume fraction and momentum exchange term based on correlations for drag. The accuracy of these terms diminishes at regions close to walls, where key assumptions that were used in the formulation of the models are often violated. Defining particle volume fraction close to a solid boundary could require using detailed information on the distance between the surface of the particles and the wall. No-slip boundary conditions are imposed on the fluid phase while particles may slip, complicating the momentum transfer. In addition, experiments have reported enhanced lift at the walls, corresponding to values greater than what can be estimated from Saffman shear-induced models. In this study, coupling between the phases is handled in an Euler-Lagrange framework using a two-step filtering process that ensures a conservative exchange, as well as convergence under mesh refinement. A turbulent spout fluidized bed is simulated, and compared to experimental data. Different strategies are explored to properly account for the presence of the walls.

  12. 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.

  13. 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'.

  14. 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. PMID:24567877

  15. Modeling the Effect of Small Scale Fluid Exchange on the Formation of Unstable Wetting Front

    NASA Astrophysics Data System (ADS)

    Khallaf, I.; Gwo, J.

    2006-05-01

    Infiltration in water repellent soils may result in unstable wetting fronts, leading to the formation of high velocity flow paths, the so called fingers. Finger formation is generally regarded as a potential cause for the rapid transport of water and nutrients through the unsaturated zone. Fingers may divert water from reaching the roots of plants and may reduce the delivery of important nutrients. The objective of this research is to conduct model simulations to study the impact of fluid exchange coefficients and small scale variations of hydraulic conductivity and water content on the movement of water through a hypothetical, multiple-pore-region soil by using the multiregion flow simulator MurfMd. A two-pore-region model with uniform distributions of these parameters did not result in the formation of fingers. Experimental results from the literature indicated that non-uniform distributions of water contents may initiate fingers, which we reproduced in our preliminary modeling studies. With uniform distributions of hydraulic conductivities in individual pore regions, spatial variations of fluid exchange coefficients resulting from pore scale heterogeneities are expected to result in similar unstable wetting fronts. Results from this latter study will be discussed in the final presentation of the paper.

  16. 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.

  17. Non-equilibrium spin-boson model: counting statistics and the heat exchange fluctuation theorem.

    PubMed

    Nicolin, Lena; Segal, Dvira

    2011-10-28

    We focus on the non-equilibrium two-bath spin-boson model, a toy model for examining quantum thermal transport in many-body open systems. Describing the dynamics within the noninteracting-blip approximation equations, applicable, e.g., in the strong system-bath coupling limit and/or at high temperatures, we derive expressions for the cumulant generating function in both the Markovian and non-Markovian limits by energy-resolving the quantum master equation of the subsystem. For a Markovian bath, we readily demonstrate the validity of a steady-state heat exchange fluctuation theorem. In the non-Markovian limit a "weaker" symmetry relation generally holds, a general outcome of microreversibility. We discuss the reduction of this symmetry relation to the universal steady-state fluctuation theorem. Using the cumulant generating function, an analytic expression for the heat current is obtained. Our results establish the validity of the steady-state heat exchange fluctuation theorem in quantum systems with strong system-bath interactions. From the practical point of view, this study provides tools for exploring transport characteristics of the two-bath spin-boson model, a prototype for a nonlinear thermal conductor. PMID:22047227

  18. Third-order Scaling Analysis of various exchange interactions for a model Cerium impurity in normal Metals^*

    NASA Astrophysics Data System (ADS)

    Kim, T. S.; Cox, D. L.

    1996-03-01

    We introduce various exchange interactions for a model Ce^3+ impurity in cubic symmetry and analyze them using the perturbative renormalization group. In addition to the well-known one- and two-channel S_c=S_I=1/2 exchange interactions (Sc and SI are the conduction electron and the impurity pseudo spins, respectively), a new one-channel S_c=3/2, S_I=1/2 exchange interaction is found. This new exchange interaction competes with the two-channel exchange interaction. Using the perturbative renormalization group approach, we present all possible stable fixed points (one-, two-, and three-channel S_c=S_I=1/2 Kondo effect) and a ``zoo" of unstable fixed points some of which have non-Fermi liquid excitation spectra. ^* This work was supported by US DOE, BES, Materials Research.

  19. A cation exchange model to describe Cs+ sorption at high ionic strength in subsurface sediments at Hanford site, USA.

    PubMed

    Liu, Chongxuan; Zachara, John M; Smith, Steve C

    2004-02-01

    A theoretical and experimental study of cation exchange in high ionic strength electrolytes was performed using pristine subsurface sediments from the U.S. Department of Energy Hanford site. These sediments are representative of the site contaminated sediments impacted by release of high level waste (HLW) solutions containing 137Cs+ in NaNO3 brine. The binary exchange behavior of Cs+-Na+, Cs+-K+, and Na+-K+ was measured over a range in electrolyte concentration. Vanselow selectivity coefficients (Kv) that were calculated from the experimental data using Pitzer model ion activity corrections for aqueous species showed monotonic increases with increasing electrolyte concentrations. The influence of electrolyte concentration was greater on the exchange of Na+-Cs+ than K+-Cs+, an observation consistent with the differences in ion hydration energy of the exchanging cations. A previously developed two-site ion exchange model [Geochimica et Cosmochimica Acta 66 (2002) 193] was modified to include solvent (water) activity changes in the exchanger phase through application of the Gibbs-Duhem equation. This water activity-corrected model well described the ionic strength effect on binary Cs+ exchange, and was extended to the ternary exchange system of Cs+-Na+-K+ on the pristine sediment. The model was also used to predict 137Cs+ distribution between sediment and aqueous phase (Kd) beneath a leaked HLW tank in Hanfordd's S-SX tank using the analytical aqueous data from the field and the binary ion exchange coefficients for the pristine sediment. The Kd predictions closely followed the trend in the field data and were improved by consideration of water activity effects that were considerable in certain regions of the vadose zone plume. PMID:14734247

  20. A cation exchange model to describe Cs + sorption at high ionic strength in subsurface sediments at Hanford site, USA

    NASA Astrophysics Data System (ADS)

    Liu, Chongxuan; Zachara, John M.; Smith, Steve C.

    2004-02-01

    A theoretical and experimental study of cation exchange in high ionic strength electrolytes was performed using pristine subsurface sediments from the U.S. Department of Energy Hanford site. These sediments are representative of the site contaminated sediments impacted by release of high level waste (HLW) solutions containing 137Cs + in NaNO 3 brine. The binary exchange behavior of Cs +-Na +, Cs +-K +, and Na +-K + was measured over a range in electrolyte concentration. Vanselow selectivity coefficients ( Kv) that were calculated from the experimental data using Pitzer model ion activity corrections for aqueous species showed monotonic increases with increasing electrolyte concentrations. The influence of electrolyte concentration was greater on the exchange of Na +-Cs + than K +-Cs +, an observation consistent with the differences in ion hydration energy of the exchanging cations. A previously developed two-site ion exchange model [Geochimica et Cosmochimica Acta 66 (2002) 193] was modified to include solvent (water) activity changes in the exchanger phase through application of the Gibbs-Duhem equation. This water activity-corrected model well described the ionic strength effect on binary Cs + exchange, and was extended to the ternary exchange system of Cs +-Na +-K + on the pristine sediment. The model was also used to predict 137Cs + distribution between sediment and aqueous phase ( Kd) beneath a leaked HLW tank in Hanfordd's S-SX tank using the analytical aqueous data from the field and the binary ion exchange coefficients for the pristine sediment. The Kd predictions closely followed the trend in the field data and were improved by consideration of water activity effects that were considerable in certain regions of the vadose zone plume.

  1. 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

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

    PubMed

    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. PMID:25679668

  3. Extended hubbard model with ring exchange: a route to a non-Abelian topological phase.

    PubMed

    Freedman, Michael; Nayak, Chetan; Shtengel, Kirill

    2005-02-18

    We propose an extended Hubbard model on a 2D kagome lattice with an additional ring exchange term. The particles can be either bosons or spinless fermions. We analyze the model at the special filling fraction 1/6, where it is closely related to the quantum dimer model. We show how to arrive at an exactly soluble point whose ground state is the "d-isotopy" transition point into a stable phase with a certain type of non-Abelian topological order. Near the "special" values, d=2cos(pi/(k+2), this topological phase has anyonic excitations closely related to SU(2) Chern-Simons theory at level k. PMID:15783757

  4. 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.

  5. 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.

  6. Numerical Modelling of Airflow and Temperature Distribution in a Living Room with Different Heat Exchange Conditions

    NASA Astrophysics Data System (ADS)

    Gendelis, S.; Jakovičs, A.

    2010-01-01

    Numerical mathematical modelling of the indoor thermal conditions and of the energy losses for separate rooms is an important part of the analysis of the heat-exchange balance and energy efficiency in buildings. The measurements of heat transfer coefficients for bounding structures, the air-tightness tests and thermographic diagnostics done for a building allow the influence of those factors to be predicted more correctly in developed numerical models. The temperature distribution and airflows in a typical room (along with the heat losses) were calculated for different heater locations and solar radiation (modelled as a heat source) through the window, as well as various pressure differences between the openings in opposite walls. The airflow velocities and indoor temperature, including its gradient, were also analysed as parameters of thermal comfort conditions. The results obtained show that all of the listed factors have an important influence on the formation of thermal comfort conditions and on the heat balance in a room.

  7. Integration of computational modeling with membrane transport studies reveals new insights into amino acid exchange transport mechanisms

    PubMed Central

    Widdows, Kate L.; Panitchob, Nuttanont; Crocker, Ian P.; Please, Colin P.; Hanson, Mark A.; Sibley, Colin P.; Johnstone, Edward D.; Sengers, Bram G.; Lewis, Rohan M.; Glazier, Jocelyn D.

    2015-01-01

    Uptake of system L amino acid substrates into isolated placental plasma membrane vesicles in the absence of opposing side amino acid (zero-trans uptake) is incompatible with the concept of obligatory exchange, where influx of amino acid is coupled to efflux. We therefore hypothesized that system L amino acid exchange transporters are not fully obligatory and/or that amino acids are initially present inside the vesicles. To address this, we combined computational modeling with vesicle transport assays and transporter localization studies to investigate the mechanisms mediating [14C]l-serine (a system L substrate) transport into human placental microvillous plasma membrane (MVM) vesicles. The carrier model provided a quantitative framework to test the 2 hypotheses that l-serine transport occurs by either obligate exchange or nonobligate exchange coupled with facilitated transport (mixed transport model). The computational model could only account for experimental [14C]l-serine uptake data when the transporter was not exclusively in exchange mode, best described by the mixed transport model. MVM vesicle isolates contained endogenous amino acids allowing for potential contribution to zero-trans uptake. Both L-type amino acid transporter (LAT)1 and LAT2 subtypes of system L were distributed to MVM, with l-serine transport attributed to LAT2. These findings suggest that exchange transporters do not function exclusively as obligate exchangers.—Widdows, K. L., Panitchob, N., Crocker, I. P., Please, C. P., Hanson, M. A., Sibley, C. P., Johnstone, E. D., Sengers, B. G., Lewis, R. M., Glazier, J. D. Integration of computational modeling with membrane transport studies reveals new insights into amino acid exchange transport mechanisms. PMID:25761365

  8. 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.

  9. Modeling Karst Ecosystem-Atmosphere CO2 Exchange: The Importance of Ventilation for Carbonate Geochemistry

    NASA Astrophysics Data System (ADS)

    Roland, M.; Serrano-Ortiz, P.; Godderis, Y.; Kowalski, A. S.; Janssens, I.

    2011-12-01

    Global carbonate weathering is considered a small carbon flux when compared with biogenic CO2 fluxes. This is, however, a question of time and space. In karst regions, it has been shown that biogenic fluxes are not always dominant. CO2 exchange patterns have been reported there that cannot be explained by biological processes: disproportionate outgassing during daytime or nighttime CO2 uptake during periods when all vegetation is senescent. These phenomena have previously been attributed to carbonate weathering reactions or biocrust activity, but their associated CO2 exchange rates are considered too small [Serrano-Ortiz et al., 2010]. Here, we report a novel mechanism through which carbonate weathering, exacerbated by subterranean ventilation, dominates the diel pattern of land-atmosphere CO2 exchange in karst areas. Ventilation is an efficient air mass transfer process (including pressure pumping, deep penetration of eddies and thermal expansion of air) that occurs in all porous media, when pores are connected and not blocked by water. Due to its high porosity and the presence of caves, fissures and cracks, karts systems are very prone to ventilation. When soil CO2 concentrations are rapidly brought into disequilibrium by ventilation, CO2 fluxes associated with carbonate weathering can exceed those associated with biological activity. The biology-based standardized partitioning schemes that are used by a large community of scientists, are then no longer applicable and gas exchange measurements fail to reveal any information on the biological activity. By incorporating ventilation processes into the mineral weathering model WITCH [Goddéris et al., 2006], we were able to quantify the contribution of carbonate geochemistry to the synoptic CO2 fluxes on karst ecosystems. [1] Goddéris, Y., L. M. Francois, A. Probst, J. Schott, D. Moncoulon, D. Labat, and D. Viville (2006), Modelling weathering processes at the catchment scale: The WITCH numerical model, Geochim

  10. Modeling variations in the cedi/dollar exchange rate in Ghana: an autoregressive conditional heteroscedastic (ARCH) models.

    PubMed

    Techie Quaicoe, Michael; Twenefour, Frank B K; Baah, Emmanuel M; Nortey, Ezekiel N N

    2015-01-01

    This research article aimed at modeling the variations in the dollar/cedi exchange rate. It examines the applicability of a range of ARCH/GARCH specifications for modeling volatility of the series. The variants considered include the ARMA, GARCH, IGARCH, EGARCH and M-GARCH specifications. The results show that the series was non stationary which resulted from the presence of a unit root in it. The ARMA (1, 1) was found to be the most suitable model for the conditional mean. From the Box-Ljung test statistics x-squared of 1476.338 with p value 0.00217 for squared returns and 16.918 with 0.0153 p values for squared residuals, the null hypothesis of no ARCH effect was rejected at 5% significance level indicating the presence of an ARCH effect in the series. ARMA (1, 1) + GARCH (1, 1) which has all parameters significant was found to be the most suitable model for the conditional mean with conditional variance, thus showing adequacy in describing the conditional mean with variance of the return series at 5% significant level. A 24 months forecast for the mean actual exchange rates and mean returns from January, 2013 to December, 2014 made also showed that the fitted model is appropriate for the data and a depreciating trend of the cedi against the dollar for forecasted period respectively. PMID:26180749

  11. Recent advancements on modelling the exchange flow dynamics through the Turkish Strait System

    NASA Astrophysics Data System (ADS)

    Sannino, Gianmaria; Sözer, Adil; Özsoy, Emin

    2014-05-01

    The system composed by the two narrow Straits, Dardanelles and Bosphorus, and the Marmara Sea is known as the Turkish Straits System (TSS). The scientific questions on the role of the TSS in coupling the adjacent basins of the Mediterranean and Black Seas with highly contrasting properties, in a region of high climatic variability and materials transport depending critically on the cycle of water can only be answered by model predictions of the processes that determine the integral properties of the coupled sub-systems. This can only be achieved if the entire TSS is modeled as a finely resolved integral system that appropriately accounts for the high contrasts in seawater properties, steep topography, hydraulic controls, fine and meso-scale turbulence, nonlinear and non-hydrostatic effects, thermodynamic states and an active free-surface in the fullest extent, based on well represented fluid dynamical principles. In this study the MITgcm is used at very high resolution to study this extreme environment that needs to be represented as a whole and with the full details of its highly contrasting properties. The model domain chosen extends over the entire TSS, including also part of the north-east Aegean Sea at south, and the Black Sea at north of the domain. A non-uniform curvilinear orthogonal grid covers the domain at variable resolution: from less than 50 m in the two Straits up to about 1 Km in the Marmara Sea. To adequately resolve the complex hydraulic dynamics of the TSS, the model grid is made by 100 vertical z-levels. The model is initialized with three different water masses filling the western part of the domain, the Marmara Sea and the eastern side of the domain respectively, with vertical profiles selected from CTD casts obtained during the cruise of the R/V BİLİM of the Institute of Marine Sciences in June-July 2013. With the initial condition specified as lock-exchanges at the two straits, the model is left free to adjust to the expected two

  12. 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.

  13. 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.

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

    DOE PAGESBeta

    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

  15. 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.

  16. 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.

  17. 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.

  18. Modelling Mixed Bed Ion Exchange Kinetics for Removal of Trace Levels of Divalent Cations in Ultrapure Water

    SciTech Connect

    B. Widman

    2003-01-01

    Ion exchanger resin fluid film mass transfer coefficients and the ionic diffusivities from which they are derived are often measured by use of ion exchange resin columns. Such tests, usually run dynamically using short resin beds, are often performed using relatively high (ppm) concentrations of ions to accurately measure output concentrations as a function of flow rate. The testing described herein was performed to determine fluid film ionic diffusivities for cationic concentrations typical of ultrapure water ({le}ppb levels) containing ppm levels of ammonia. Effective ionic diffusivities at these low ionic concentrations and high pHs were needed to complete a computer model (SIMIX) to be used in ion exchange simulations. SIMIX is a generalized multicomponent ion exchange model designed to simulate the removal of divalent cations from ultrapure water.

  19. 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.; 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.

    2015-07-01

    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 elements

  20. 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

  1. 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.

  2. 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.

  3. Emission control through Cu-exchanged X-zeolite catalysts: Experimental studies and theoretical modeling

    SciTech Connect

    Bhattacharyya, S.; Das, R.K.

    2000-01-01

    Catalysts based on X-zeolite have been developed by exchanging its Na{sup +} ion with Copper ions and its effectiveness in reducing NO{sub x} in an actual SI engine exhaust has been tested. Unlike noble metals, the doped X-zeolite catalysts, studied here, exhibit significant NO{sub x} reduction for a wide {lambda} range and exhibit a slow rate of decrease with increase in {lambda} ratio. Back pressure developed across the catalyst bed was found to be well-affordable and power loss due to back pressure is only minimal. During 30 hours of testing of the catalyst, no significant deactivation was observed. Additionally a mathematical model has been developed to predict the performance of the catalyst and to validate that against experimental results. Results predicted by the mathematical model agree well with the experimental results and absolute average deviation of experimental conversion efficiency is found to be less than 5% of the predicted value.

  4. 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.

  5. 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.

  6. 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

  7. 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.

  8. 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.

  9. Internal Energy Exchange and Dissociation Probability in DSMC Molecular Collision Models

    NASA Astrophysics Data System (ADS)

    Chabut, E.

    2008-12-01

    The present work is related to the gas—gas collision models used in DSMC. It especially concerns the relaxation rates and the reactivity for diatomic molecules (but most of the models can be extended to polyatomic molecules). The Larsen-Borgnakke [1] model is often used in DSMC to describe the way of redistribution of the energies during collisions. A lot of information is provided by literature about links existing between macroscopic collision number, the fraction of inelastic collisions and the probability for a molecule to exchange energy during a collision in a specific mode. We then expose the main relations able to reproduce macroscopic relaxation rates. During collisions, the energy brought by the collision partners can be sufficient to generate a chemical reaction. The problematic is at first to determine an energetic condition for a possible reaction: which energy we have to consider and which threshold we have to compare with; and in second how to calculate the reaction probabilities. Then we often use the experimental results which put in light some phenomena (vibration—dissociation coupling for example) to built a qualitative basis for the models and, in a quantitative point of view, we determine probabilities such they can reproduce the macroscopic experimental rates reflected by the modified Arrhenius law. Some of the different chemical models used in DSMC will be exposed as the "TCE" [2]-3], "EAE" [3], "ME" [4] and "VFD" [5] models.

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

    DOE PAGESBeta

    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

  11. A two level hierarchical model of protein retention in ion exchange chromatography.

    PubMed

    Salvalaglio, Matteo; Paloni, Matteo; Guelat, Bertrand; Morbidelli, Massimo; Cavallotti, Carlo

    2015-09-11

    Predicting protein retention in ion exchange chromatography (IEX) from first principles is a fascinating perspective. In this work a two level hierarchical modeling strategy is proposed in order to calculate protein retention factors. Model predictions are tested against experimental data measured for Lysozyme and Chymotrypsinogen A in IEX columns as a function of ionic strength and pH. At the highest level of accuracy Molecular Dynamics (MD) simulations in explicit water are used to determine the interaction free energy between each of the two proteins and the IEX stationary phase for a reference pH and ionic strength. At a lower level of accuracy a linear response model based on an implicit treatment of solvation and adopting a static protein structure is used to calculate interaction free energies for the full range of pHs and ionic strengths considered. A scaling coefficient, determined comparing MD and implicit solvent simulations, is then introduced in order to correct the linear response model for errors induced by the adoption of a static protein structure. The calculated free energies are then used to compute protein retention factors, which can be directly compared with experimental data. The possibility to introduce a third level of accuracy is explored testing the predictions of a semiempirical model. A quantitative agreement between the predicted and measured protein retention factors is obtained using the coupled MD-linear response models, supporting the reliability of the proposed approach. The model allows quantifying the electrostatic, van der Waals, and conformational contributions to the interaction free energies. A good agreement between experiments and model is obtained also using the semiempirical model that, although requiring parameterization over higher level models or experimental data, proves to be useful in order to rapidly determine protein retention factors across wide pH and ionic strength ranges as it is computationally inexpensive

  12. 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

  13. 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

  14. Surface Adsorption from the Exchange-Hole Dipole Moment Dispersion Model.

    PubMed

    Christian, Matthew S; Otero-de-la-Roza, Alberto; Johnson, Erin R

    2016-07-12

    The accurate calculation of intermolecular interaction energies with density functional theory requires methods that include a treatment of long-range, nonlocal dispersion correlation. In this work, we explore the ability of the exchange-hole dipole moment (XDM) dispersion correction to model molecular surface adsorption. Adsorption energies are calculated for six small aromatic molecules (benzene, furan, pyridine, thiophene, thiophenol, and benzenediamine) and the four DNA nucleobases (adenine, thymine, guanine, and cytosine) on the (111) surfaces of the three coinage metals (copper, silver, and gold). For benzene, where the experimental reference data is most precise, the mean absolute error in the computed absorption energies is 0.04 eV. For the other aromatic molecules, the computed binding energies are found to be within 0.09 eV of the available reference data, on average, which is well below the expected experimental uncertainties for temperature-programmed desorption measurements. Unlike other dispersion-corrected functionals, adequate performance does not require changes to the canonical XDM implementation, and the good performance of XDM is explained in terms of the behavior of the exchange hole. Additionally, the base functional employed (B86bPBE) is also optimal for molecular studies, making B86bPBE-XDM an excellent candidate for studying chemistry on material surfaces. Finally, the noncovalent interaction (NCI) plot technique is shown to detect adsorption effects in real space on the order of tenths of an eV. PMID:27253340

  15. 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.

  16. 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. PMID:15495326

  17. Hydraulic transmissivity and heat exchange efficiency of open fractures: a model based on lowpass filtered apertures

    NASA Astrophysics Data System (ADS)

    Neuville, Amélie; Toussaint, Renaud; Schmittbuhl, Jean

    2011-09-01

    Natural open joints in rocks commonly present multiscale self-affine apertures. This geometrical complexity affects fluid transport and heat exchange between the flowing fluid and the surrounding rock. In particular, long range correlations of self-affine apertures induce strong channelling of the flow which influences both mass and heat advection. A key question is to find a geometrical model of the complex aperture that describes at best the macroscopic properties (hydraulic conductivity, heat exchange) with the smallest number of parameters. Solving numerically the Stokes and heat equations with a lubrication approximation, we show that a low pass filtering of the aperture geometry provides efficient estimates of the effective hydraulic and thermal properties (apertures). A detailed study of the influence of the bandwidth of the lowpass filtering on these transport properties is also performed. For instance, keeping the information of amplitude only of the largest Fourier length scales allows us to reach already an accuracy of 9 per cent on the hydraulic and the thermal apertures.

  18. Characterizing airway and alveolar nitric oxide exchange during tidal breathing using a three-compartment model.

    PubMed

    Condorelli, Peter; Shin, Hye-Won; George, Steven C

    2004-05-01

    Exhaled nitric oxide (NO) may be a useful marker of lung inflammation, but the concentration is highly dependent on exhalation flow rate due to a significant airway source. Current methods for partitioning pulmonary NO gas exchange into airway and alveolar regions utilize multiple exhalation flow rates or a single-breath maneuver with a preexpiratory breath hold, which is cumbersome for children and individuals with compromised lung function. Analysis of tidal breathing data has the potential to overcome these limitations, while still identifying region-specific parameters. In six healthy adults, we utilized a three-compartment model (two airway compartments and one alveolar compartment) to identify two potential flow-independent parameters that represent the average volumetric airway flux (pl/s) and the time-averaged alveolar concentration (parts/billion). Significant background noise and distortion of the signal from the sampling system were compensated for by using a Gaussian wavelet filter and a series of convolution integrals. Mean values for average volumetric airway flux and time-averaged alveolar concentration were 2,500 +/- 2,700 pl/s and 3.2 +/- 3.4 parts/billion, respectively, and were strongly correlated with analogous parameters determined from vital capacity breathing maneuvers. Analysis of multiple tidal breaths significantly reduced the standard error of the parameter estimates relative to the single-breath technique. Our initial assessment demonstrates the potential of utilizing tidal breathing for noninvasive characterization of pulmonary NO exchange dynamics. PMID:14729729

  19. Understanding and modeling removal of anionic organic contaminants (AOCs) by anion exchange resins.

    PubMed

    Zhang, Huichun; Shields, Anthony J; Jadbabaei, Nastaran; Nelson, Maurice; Pan, Bingjun; Suri, Rominder P S

    2014-07-01

    Ionic organic contaminants (OCs) are a growing concern for water treatment and the environment and are removed inefficiently by many existing technologies. This study examined removal of anionic OCs by anion exchange resins (AXRs) as a promising alternative. Results indicate that two polystyrene AXRs (IRA910 and IRA96) have higher sorption capacities and selectivity than a polyacrylate resin (A860). For the polystyrene resins, selectivity follows: phenolates ≥ aromatic dicarboxylates > aromatic monocarboxylates > benzenesulfonate > aliphatic carboxylates. This trend can be explained based on hydration energy, the number of exchange groups, and aromaticity and hydrophobicity of the nonpolar moiety (NPM) of the anions. For A860, selectivity only varies within a narrow range (0.13-1.64). Despite the importance of the NPM of the anions, neutral solutes were sorbed much less, indicating synergistic combinations of electrostatic and nonelectrostatic interactions in the overall sorption. By conducting multiple linear regression between Abraham's descriptors and nature log of selectivity, induced dipole-related interactions and electrostatic interactions were found to be the most important interaction forces for sorption of the anions, while solute H-bond basicity has a negative effect. A predictive model was then developed for carboxylates and phenolates based on the poly parameter linear free energy relationships established for a diverse range of 16 anions and 5 neutral solutes, and was validated by accurate prediction of sorption of five test solutes within a wide range of equilibrium concentrations and that of benzoate at different pH. PMID:24877792

  20. 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.

  1. The morphometry of materno—fetal oxygen exchange barrier in a baboon model of obesity

    PubMed Central

    Samson, J.E.; Mari, G.; Dick, E.J.; Hubbard, G.B.; Ferry, R.J.; Schlabritz-Loutsevitch, N.E.

    2012-01-01

    Introduction More than one-fourth of U.S. women are overweight; more than one-third are obese. Maternal obesity has been linked to an increased incidence of stillbirths, fetal macrosomia, fetal intrauterine growth restriction and pre-eclampsia. The placenta plays a key role in the nutrients and oxygen supply to the fetus. The data about structural changes in the placental villous membrane (VM), a major component of the feto-maternal nutrient and oxygen exchange barrier, during obesity are sparse and inconsistent. Our objective was to evaluate the morphometric changes in the placental exchange barrier in a baboon model of obesity. Materials and methods The previously described baboon model of maternal obesity was studied. We compared 4 obese to 4 non-obese baboons. Placental stereology with the use of transmission electron microscopy was performed to estimate VM oxygen diffusing capacities and morphometry. Results The specific placental oxygen diffusing capacities per unit of fetal weight were similar in baboons and humans. Maternal leptin concentrations correlated negatively with placental basement membrane thickness (r = −0.78, p < 0.05), while fetal leptin levels correlated negatively with endothelial thickness of fetal capillaries (r = −0.78, p < 0.05). The total and specific villous membrane oxygen diffusing capacities were not different between the two groups. Conclusion To the best of our knowledge this is the first report of placental oxygen diffusing capacities and placental ultrastructural changes in a baboon model of obesity. Previously reported placental inflammation in maternal obesity is not associated with changes in the VM diffusing capacities and ultrastructure. PMID:21872927

  2. 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.

  3. A complete procedure for leak detection and diagnosis in a complex heat exchanger using data-driven fuzzy models.

    PubMed

    Habbi, Hacene; Kinnaert, Michel; Zelmat, Mimoun

    2009-07-01

    In this paper, an efficient fuzzy model-based leak detection algorithm is designed for a pilot heat exchanger. A dynamic fuzzy model of the physical plant is first derived from input-output measurements using a fuzzy clustering technique. This model is run in parallel to the process for symptom generation. The leak detection mechanism has been tested and validated on the real co-current heat exchanger, and has proven to be efficient in detecting leaks of different magnitudes in the water circulation pipe. PMID:19246038

  4. 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.

  5. 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.

  6. 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.

  7. 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

  8. 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.

  9. 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

  10. Global evaluation of ammonia bidirectional exchange and livestock diurnal variation schemes

    NASA Astrophysics Data System (ADS)

    Zhu, L.; Henze, D.; Bash, J.; Jeong, G.-R.; Cady-Pereira, K.; Shephard, M.; Luo, M.; Paulot, F.; Capps, S.

    2015-11-01

    Bidirectional air-surface exchange of ammonia (NH3) has been neglected in many air quality models. In this study, we implement the bidirectional exchange of NH3 in the GEOS-Chem global chemical transport model. We also introduce an updated diurnal variability scheme for NH3 livestock emissions and evaluate the recently developed MASAGE_NH3 bottom-up inventory. While updated diurnal variability improves comparison of modeled-to-hourly in situ measurements in the southeastern USA, NH3 concentrations decrease throughout the globe, up to 17 ppb in India and southeastern China, with corresponding decreases in aerosol nitrate by up to 7 μg m-3. The ammonium (NH4+) soil pool in the bidirectional exchange model largely extends the NH3 lifetime in the atmosphere. Including bidirectional exchange generally increases NH3 gross emissions (7.1 %) and surface concentrations (up to 3.9 ppb) throughout the globe in July, except in India and southeastern China. In April and October, it decreases NH3 gross emissions in the Northern Hemisphere (e.g., 43.6 % in April in China) and increases NH3 gross emissions in the Southern Hemisphere. Bidirectional exchange does not largely impact NH4+ wet deposition overall. While bidirectional exchange is fundamentally a better representation of NH3 emissions from fertilizers, emissions from primary sources are still underestimated and thus significant model biases remain when compared to in situ measurements in the USA. The adjoint of bidirectional exchange has also been developed for the GEOS-Chem model and is used to investigate the sensitivity of NH3 concentrations with respect to soil pH and fertilizer application rate. This study thus lays the groundwork for future inverse modeling studies to more directly constrain these physical processes rather than tuning bulk unidirectional NH3 emissions.

  11. 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...

  12. Adsorption of Organic Molecules on Kaolinite from the Exchange-Hole Dipole Moment Dispersion Model.

    PubMed

    Johnson, Erin R; Otero-de-la-Roza, Alberto

    2012-12-11

    Intermolecular interactions between organic molecules and clay minerals are important in a wide range of chemical applications, ranging from oil-sands petroleum extraction to environmental chemistry and catalysis. The binding energies between each of benzene, n-hexane, pyridine, 2-propanol, and water and the kaolinite surface are calculated using density functional theory with the exchange-hole dipole moment dispersion model. The dominant noncovalent interactions are found to be hydrogen bonding for pyridine, 2-propanol, and water, OH-π interactions for benzene, and CH-O interactions for n-hexane. All molecules considered are more strongly bound to the hydrophilic alumina face, rather than the hydrophobic siloxane face, of kaolinte. PMID:26593201

  13. 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.

  14. Sexual Satisfaction in Spanish Heterosexual Couples: Testing the Interpersonal Exchange Model of Sexual Satisfaction.

    PubMed

    Sánchez-Fuentes, María Del Mar; Santos-Iglesias, Pablo

    2016-04-01

    The study of sexual satisfaction in Spain is scarce and has proceeded atheoretically. This study aimed at examining sexual satisfaction in 197 Spanish heterosexual couples based on the Interpersonal Exchange Model of Sexual Satisfaction. Men and women reported equal satisfaction. Men's sexual satisfaction was predicted by their own relationship satisfaction, balance of sexual rewards and costs, and comparison level of sexual rewards and costs. Women's sexual satisfaction was predicted by their own relationship satisfaction, balance of sexual rewards and costs, comparison level of sexual rewards and costs, equality of sexual costs, and their partner's balance of sexual rewards and costs. These results provide with a better understanding of the mechanisms that explain sexual satisfaction in Spanish couples. Implications for research and therapy are discussed. PMID:25629546

  15. 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.

  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. 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

  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 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

  2. Modelling heat and mass transfer in a membrane-based air-to-air enthalpy exchanger

    NASA Astrophysics Data System (ADS)

    Dugaria, S.; Moro, L.; Del, D., Col

    2015-11-01

    The diffusion of total energy recovery systems could lead to a significant reduction in the energy demand for building air-conditioning. With these devices, sensible heat and humidity can be recovered in winter from the exhaust airstream, while, in summer, the incoming air stream can be cooled and dehumidified by transferring the excess heat and moisture to the exhaust air stream. Membrane based enthalpy exchangers are composed by different channels separated by semi-permeable membranes. The membrane allows moisture transfer under vapour pressure difference, or water concentration difference, between the two sides and, at the same time, it is ideally impermeable to air and other contaminants present in exhaust air. Heat transfer between the airstreams occurs through the membrane due to the temperature gradient. The aim of this work is to develop a detailed model of the coupled heat and mass transfer mechanisms through the membrane between the two airstreams. After a review of the most relevant models published in the scientific literature, the governing equations are presented and some simplifying assumptions are analysed and discussed. As a result, a steady-state, two-dimensional finite difference numerical model is setup. The developed model is able to predict temperature and humidity evolution inside the channels. Sensible and latent heat transfer rate, as well as moisture transfer rate, are determined. A sensitive analysis is conducted in order to determine the more influential parameters on the thermal and vapour transfer.

  3. 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

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

    PubMed

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

    2013-08-19

    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

  5. Simulating replica exchange simulations of protein folding with a kinetic network model

    PubMed Central

    Zheng, Weihua; Andrec, Michael; Gallicchio, Emilio; Levy, Ronald M.

    2007-01-01

    Replica exchange (RE) is a generalized ensemble simulation method for accelerating the exploration of free-energy landscapes, which define many challenging problems in computational biophysics, including protein folding and binding. Although temperature RE (T-RE) is a parallel simulation technique whose implementation is relatively straightforward, kinetics and the approach to equilibrium in the T-RE ensemble are very complicated; there is much to learn about how to best employ T-RE to protein folding and binding problems. We have constructed a kinetic network model for RE studies of protein folding and used this reduced model to carry out “simulations of simulations” to analyze how the underlying temperature dependence of the conformational kinetics and the basic parameters of RE (e.g., the number of replicas, the RE rate, and the temperature spacing) all interact to affect the number of folding transitions observed. When protein folding follows anti-Arrhenius kinetics, we observe a speed limit for the number of folding transitions observed at the low temperature of interest, which depends on the maximum of the harmonic mean of the folding and unfolding transition rates at high temperature. The results shown here for the network RE model suggest ways to improve atomic-level RE simulations such as the use of “training” simulations to explore some aspects of the temperature dependence for folding of the atomic-level models before performing RE studies. PMID:17878309

  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. 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. PMID:24032801

  8. 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.

  9. The work/exchange model: A generalized approach to dynamic load balancing

    SciTech Connect

    Wikstrom, M.C.

    1991-12-20

    A crucial concern in software development is reducing program execution time. Parallel processing is often used to meet this goal. However, parallel processing efforts can lead to many pitfalls and problems. One such problem is to distribute the workload among processors in such a way that minimum execution time is obtained. The common approach is to use a load balancer to distribute equal or nearly equal quantities of workload on each processor. Unfortunately, this approach relies on a naive definition of load imbalance and often fails to achieve the desired goal. A more sophisticated definition should account for the affects of additional factors including communication delay costs, network contention, and architectural issues. Consideration of additional factors led us to the realization that optical load distribution does not always result from equal load distribution. In this dissertation, we tackle the difficult problem of defining load imbalance. This is accomplished through the development of a parallel program model called the Generalized Work/Exchange Model. Associated with the model are equations for a restricted set of deterministically balanced programs that characterize idle time, elapsed time, and potential speedup. With the aid of the model, several common myths about load imbalance are exposed. A useful application called a load balancer enhancer is also presented which is applicable to the more general, quasi-static load unbalanced program.

  10. 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)

  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. 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.

  13. Scaling for Robust Empirical Modeling and Predictions of Net Ecosystem Exchange (NEE) from Diverse Wetland Ecosystems

    NASA Astrophysics Data System (ADS)

    Ishtiaq, K. S.; Abdul-Aziz, O. I.

    2014-12-01

    We developed a scaling-based, simple empirical model for spatio-temporally robust prediction of the diurnal cycles of wetland net ecosystem exchange (NEE) by using an extended stochastic harmonic algorithm (ESHA). A reference-time observation from each diurnal cycle was utilized as the scaling parameter to normalize and collapse hourly observed NEE of different days into a single, dimensionless diurnal curve. The modeling concept was tested by parameterizing the unique diurnal curve and predicting hourly NEE of May to October (summer growing and fall seasons) between 2002-12 for diverse wetland ecosystems, as available in the U.S. AmeriFLUX network. As an example, the Taylor Slough short hydroperiod marsh site in the Florida Everglades had data for four consecutive growing seasons from 2009-12; results showed impressive modeling efficiency (coefficient of determination, R2 = 0.66) and accuracy (ratio of root-mean-square-error to the standard deviation of observations, RSR = 0.58). Model validation was performed with an independent year of NEE data, indicating equally impressive performance (R2 = 0.68, RSR = 0.57). The model included a parsimonious set of estimated parameters, which exhibited spatio-temporal robustness by collapsing onto narrow ranges. Model robustness was further investigated by analytically deriving and quantifying parameter sensitivity coefficients and a first-order uncertainty measure. The relatively robust, empirical NEE model can be applied for simulating continuous (e.g., hourly) NEE time-series from a single reference observation (or a set of limited observations) at different wetland sites of comparable hydro-climatology, biogeochemistry, and ecology. The method can also be used for a robust gap-filling of missing data in observed time-series of periodic ecohydrological variables for wetland or other ecosystems.

  14. 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

  15. A soft-core Gay-Berne model for the simulation of liquid crystals by Hamiltonian replica exchange

    NASA Astrophysics Data System (ADS)

    Berardi, Roberto; Zannoni, Claudio; Lintuvuori, Juho S.; Wilson, Mark R.

    2009-11-01

    The Gay-Berne (GB) potential has proved highly successful in the simulation of liquid crystal phases, although it is fairly demanding in terms of resources for simulations of large (e.g., N >105) systems, as increasingly required in applications. Here, we introduce a soft-core GB model, which exhibits both liquid crystal phase behavior and rapid equilibration. We show that the Hamiltonian replica exchange method, coupled with the newly introduced soft-core GB model, can effectively speed up the equilibration of a GB liquid crystal phase by frequent exchange of configurations between replicas, while still recovering the mesogenic properties of the standard GB potential.

  16. A soft-core Gay-Berne model for the simulation of liquid crystals by Hamiltonian replica exchange.

    PubMed

    Berardi, Roberto; Zannoni, Claudio; Lintuvuori, Juho S; Wilson, Mark R

    2009-11-01

    The Gay-Berne (GB) potential has proved highly successful in the simulation of liquid crystal phases, although it is fairly demanding in terms of resources for simulations of large (e.g., N>10(5)) systems, as increasingly required in applications. Here, we introduce a soft-core GB model, which exhibits both liquid crystal phase behavior and rapid equilibration. We show that the Hamiltonian replica exchange method, coupled with the newly introduced soft-core GB model, can effectively speed up the equilibration of a GB liquid crystal phase by frequent exchange of configurations between replicas, while still recovering the mesogenic properties of the standard GB potential. PMID:19894998

  17. 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).

  18. Initial Thermal Modeling of the Constrained Vapor Bubble Heat Exchanger Using TSS/SINDA

    NASA Astrophysics Data System (ADS)

    Basu, S.; Wayner, P. C., Jr.; Plawsky, J. L.

    2002-07-01

    Heat transfer systems operating under interfacial free-energy gradients to control the fluid flow are simple and light due to the absence of mechanical pumps. These have been proposed as reliable cooling systems in microgravity environments (Wayner, 1999). The Constrained Vapor Bubble (CVB) heat exchanger is being designed as a microgravity (mu-g) fluid physics experiment for the Fluids Integrated Rack (FIR) aboard the International Space Station (ISS). The aim of this study is to characterize the heat flow mechanisms of such a device operating as a wickless heat pipe, using the Thermal Synthesizer System/Systems Improved Numerical Differencing Analyzer (TSS/SINDA) software. The geometry and nodal meshwork was created using TSS, the graphics interface to SINDA. A SINDA (thermal) model was created to study steady state and transient solutions to heat transfer under the influence of conduction, convection and radiation. Experiments were performed with the CVB in vacuum and air, for various power inputs. An initial thermal model using TSS-SINDA is presented for the dry, evacuated CVB cell. The temperature profile data collected from the experiments were compared to the results of the model to provide significant insights to the losses due to radiation and convection. In view of expected flight-data trends (where convection is essentially negligible), the importance of radiation is discussed. The presence of a good heater-insulation is essential for high heat input to the cell.

  19. 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

  20. 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.

  1. Analytic solution for modeling of the ground heat exchanger and groundwater system:

    NASA Astrophysics Data System (ADS)

    Woodbury, A. D.; Olfman, M.

    2009-12-01

    An analytical solution has been developed for the simulation of the effect on the subsurface of operating a geothermal U-Loop type vertical ground heat exchanger. The model results in a solution which allows one to determine a vertical profile of the various thermal properties, including the thermal conductivity. Based on all of the experimental evidence and various assumptions, a hypothesis regarding the cause of the vertical variation in temperature rise is formed: (1) The vertical variation of temperature rise is wholly caused by the vertical variation in thermal conductivity. Thus thermal conductivity is highest where temperature rise is highest, thermal conductivity is lowest where temperature rise is lowest. It follows that the radial heat flux function also has the same pattern as the thermal conductivity so that the most heat transfer occurs where the temperature rise is the highest and the least heat transfer occurs where the temperature rise is the lowestThus a further hypothesis, regarding the nature of the radial heat flux function, is formed: (2) The radial heat flux function takes on the same characteristic shape as the thermal conductivity function. This mathematical model is considered adequate as it predicts the subsurface behaviour observed experimentally and appears to be useful for predictive modelling.

  2. 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

  3. Estimating net ecosystem exchange of carbon using the normalized difference vegetation index and an ecosystem model

    SciTech Connect

    Veroustraete, F.; Patyn, J.; Myneni, R.B.

    1996-10-01

    The evaluation and prediction of changes in carbon dynamics at the ecosystem level is a key issue in studies of global change. An operational concept for the determination of carbon fluxes for the Belgian territory is the goal of the presented study. The approach is based on the integration of remotely sensed data into ecosystem models in order to evaluate photosynthetic assimilation and net ecosystem exchange (NEE). Remote sensing can be developed as an operational tool to determine the fraction of absorbed photosynthetically active radiation (fPAR). A review of the methodological approach of mapping fPAR dynamics at the regional scale by means of NOAA11-AVHRR/2 data for the year 1990 is given. The processing sequence from raw radiance values to fPAR is presented. An interesting aspect of incorporating remote sensing derived fPAR in ecosystem models is the potential for modeling actual as opposed to potential vegetation. Further work should prove whether the concepts presented and the assumptions made in this study are valid.

  4. 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.

  5. 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.

  6. 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.

  7. Modeling coupled interactions of carbon, water, and ozone exchange between terrestrial ecosystems and the atmosphere. I: model description.

    PubMed

    Nikolov, Ned; Zeller, Karl F

    2003-01-01

    A new biophysical model (FORFLUX) is presented to study the simultaneous exchange of ozone, carbon dioxide, and water vapor between terrestrial ecosystems and the atmosphere. The model mechanistically couples all major processes controlling ecosystem flows trace gases and water implementing recent concepts in plant eco-physiology, micrometeorology, and soil hydrology. FORFLUX consists of four interconnected modules-a leaf photosynthesis model, a canopy flux model, a soil heat-, water- and CO2- transport model, and a snow pack model. Photosynthesis, water-vapor flux and ozone uptake at the leaf level are computed by the LEAFC3 sub-model. The canopy module scales leaf responses to a stand level by numerical integration of the LEAFC3model over canopy leaf area index (LAI). The integration takes into account (1) radiative transfer inside the canopy, (2) variation of foliage photosynthetic capacity with canopy depth, (3) wind speed attenuation throughout the canopy, and (4) rainfall interception by foliage elements. The soil module uses principles of the diffusion theory to predict temperature and moisture dynamics within the soil column, evaporation, and CO2 efflux from soil. The effect of soil heterogeneity on field-scale fluxes is simulated employing the Bresler-Dagan stochastic concept. The accumulation and melt of snow on the ground is predicted using an explicit energy balance approach. Ozone deposition is modeled as a sum of three fluxes- ozone uptake via plant stomata, deposition to non-transpiring plant surfaces, and ozone flux into the ground. All biophysical interactions are computed hourly while model projections are made at either hourly or daily time step. FORFLUX represents a comprehensive approach to studying ozone deposition and its link to carbon and water cycles in terrestrial ecosystems. PMID:12713923

  8. 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.

  9. Incorporation of crop phenology in Simple Biosphere Model (SiBcrop) to improve land-atmosphere carbon exchanges from croplands

    NASA Astrophysics Data System (ADS)

    Lokupitiya, E.; Denning, S.; Paustian, K.; Baker, I.; Schaefer, K.; Verma, S.; Meyers, T.; Bernacchi, C. J.; Suyker, A.; Fischer, M.

    2009-06-01

    Croplands are man-made ecosystems that have high net primary productivity during the growing season of crops, thus impacting carbon and other exchanges with the atmosphere. These exchanges play a major role in nutrient cycling and climate change related issues. An accurate representation of crop phenology and physiology is important in land-atmosphere carbon models being used to predict these exchanges. To better estimate time-varying exchanges of carbon, water, and energy of croplands using the Simple Biosphere (SiB) model, we developed crop-specific phenology models and coupled them to SiB. The coupled SiB-phenology model (SiBcrop) replaces remotely-sensed NDVI information, on which SiB originally relied for deriving Leaf Area Index (LAI) and the fraction of Photosynthetically Active Radiation (fPAR) for estimating carbon dynamics. The use of the new phenology scheme within SiB substantially improved the prediction of LAI and carbon fluxes for maize, soybean, and wheat crops, as compared with the observed data at several AmeriFlux eddy covariance flux tower sites in the US mid continent region. SiBcrop better predicted the onset and end of the growing season, harvest, interannual variability associated with crop rotation, day time carbon uptake (especially for maize) and day to day variability in carbon exchange. Biomass predicted by SiBcrop had good agreement with the observed biomass at field sites. In the future, we will predict fine resolution regional scale carbon and other exchanges by coupling SiBcrop with RAMS (the Regional Atmospheric Modeling System).

  10. Incorporation of crop phenology in Simple Biosphere Model (SiBcrop) to improve land-atmosphere carbon exchanges from croplands

    NASA Astrophysics Data System (ADS)

    Lokupitiya, E.; Denning, S.; Paustian, K.; Baker, I.; Schaefer, K.; Verma, S.; Meyers, T.; Bernacchi, C.; Suyker, A.; Fischer, M.

    2009-02-01

    Croplands are man-made ecosystems that have high net primary productivity during the growing season of crops, thus impacting carbon and other exchanges with the atmosphere. These exchanges play a~major role in nutrient cycling and climate change related issues. An accurate representation of crop phenology and physiology is important in land-atmosphere carbon models being used to predict these exchanges. To better estimate time-varying exchanges of carbon, water, and energy of croplands using the Simple Biosphere (SiB) model, we developed crop-specific phenology models and coupled them to SiB. The coupled SiB-phenology model (SiBcrop) replaces remotely-sensed NDVI information, on which SiB originally relied for deriving Leaf Area Index (LAI) and the fraction of Photosynthetically Active Radiation (fPAR) for estimating carbon dynamics. The use of the new phenology scheme within SiB substantially improved the prediction of LAI and carbon fluxes for maize, soybean, and wheat crops, as compared with the observed data at several AmeriFlux eddy covariance flux tower sites in the US mid continent region. SiBcrop better predicted the onset and end of the growing season, harvest, interannual variability associated with crop rotation, day time carbon uptake (especially for maize) and day to day variability in carbon exchange. Biomass predicted by SiBcrop had good agreement with the observed biomass at field sites. In the future, we will predict fine resolution regional scale carbon and other exchanges by coupling SiBcrop with RAMS (the Regional Atmospheric Modeling System).

  11. 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.

    1986-01-01

    Ecological models of the seasonal exchange of carbon dioxide 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. Two methods of extrapolation were tested. The first approach was a simple extrapolation that assumed relative within-biome homogeneity, and generated CO/sub 2/ source functions that differed dramatically from published estimates of CO/sub 2/ exchange. The differences were so great that the simple extrapolation was rejected as a means of incorporating site-specific models in a global CO/sub 2/ source function. The second extrapolation explicitly incorporated within-biome variability in the abiotic variables that drive seasonal biosphere-atmosphere CO/sub 2/ exchange. Simulated site-specific CO/sub 2/ dynamics were treated as a function of multiple random variables. The predicated regional CO/sub 2/ exchange is the computed expected value of simulated site-specific exchanges for that region times the area of the region. The test involved the regional extrapolation of tundra and a coniferous forest carbon exchange model. Comparisons between the CO/sub 2/ exchange estimated by extrapolation and published estimates of regional exchange for the latitude belt support the appropriateness of extrapolation by expected value.

  12. 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

  13. 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.

  14. Spin excitation spectra of iron-based superconductors from the degenerate double-exchange model

    NASA Astrophysics Data System (ADS)

    Leong, Zhidong; Lee, Wei-Cheng; Lv, Weicheng; Phillips, Philip

    2014-03-01

    Using a degenerate double-exchange model, we investigate the spin excitation spectra of iron pnictides. The model consists of local spin moments on each Fe site as well as itinerant electrons from the degenerate dxz and dyz orbitals. The local moments interact with each other through antiferromagnetic J1-J2 Heisenberg interactions, and they couple to the itinerant electrons through a ferromagnetic Hund's coupling. We employ the fermionic spinon representation for the local moments and perform a generalized RPA calculation on both spinons and itinerant electrons. We find that in the (π,0) magnetically-ordered state, the spin-wave excitation at (π, π) is pushed to a higher energy due to the presence of itinerant electrons, which is consistent with the previous study using Holstein-Primakoff transformation. In the non-ordered state, the particle-hole continuum keeps the collective spin excitation near (π, π) at a higher energy even without any C4 symmetry breaking. The implications for the recent neutron scattering measurement at high temperature will be discussed.

  15. Time-filtered inverse modeling of land-atmosphere carbon exchange

    NASA Astrophysics Data System (ADS)

    Geyer, Nicholas M.

    The sources and sinks of biospheric carbon dioxide represent one of the least understood and most critical processes in carbon science. Since the 1990's, carbon dioxide inversion models have estimated the magnitude, location, and uncertainty of carbon sources and sinks. These inversions are underconstrained statistical problems that employ aggressive statistical regularizations in both space and time to estimate quantities like net ecosystem exchange (NEE) on weekly timescales over fine spatial scales. This study developed and tested a new regularization that leverages the available observational information toward a small number of estimates associated with the longer-lived slowly varying biospheric processes, which control time-averaged sources and sinks of carbon dioxide. This approach multiplicatively adjusts the longer lived component fluxes, gross primary production (GPP) and total respiration (RESP), using several timescale harmonics. This methodology was tested by estimating adjustments to either net or component fluxes from Simple Biosphere Model 4 (SiB4) using observational data from 8 different eddy-covariance flux towers selected from the North American Carbon Program (NACP) site synthesis dataset. The time-filtering methodology was robustly capable of accurately estimating both net and component fluxes given high observational uncertainty. Furthermore, the methodology was flexible of correctly producing estimates of all three fluxes when given a component flux as an additional observational constraint.

  16. Comparison of neural network and hadronic model predictions of the two-photon exchange effect

    NASA Astrophysics Data System (ADS)

    Graczyk, Krzysztof M.

    2013-12-01

    Predictions for the two-photon exchange (TPE) correction to the unpolarized ep elastic cross section, obtained within two different approaches, are confronted and discussed in detail. In the first one the TPE correction is extracted from experimental data by applying the Bayesian neural network statistical framework. In the other the TPE is given by box diagrams, with the nucleon and the P33 resonance as the hadronic intermediate states. Two different form factor parametrizations for both the proton and the P33 resonance are taken into consideration. Proton form factors are obtained from the global fit of the full model (with the TPE correction) to the unpolarized cross-section data. Predictions of the two methods agree well in the intermediate Q2 range of 1-3 GeV2. Above Q2=3 GeV2 the agreement is at the 2σ level. Below Q2=1 GeV2 the consistency between the two approaches is broken. The values of the proton radius extracted within the models are given. In both cases predictions for the VEPP-3 experiment have been obtained and confronted with the preliminary experimental results.

  17. Time-Filtered Inverse Modeling of Land-Atmosphere Carbon Exchange

    NASA Astrophysics Data System (ADS)

    Geyer, N. M.; Denning, S.; Haynes, K. D.

    2015-12-01

    The sources and sinks of biospheric carbon dioxide represent one of the least understood and most critical processes in carbon science. Since the 1990's, carbon dioxide inversion models have estimated the magnitude, location, and uncertainty of carbon sources and sinks. These inversions are underconstrained estimation problems that employ aggressive statistical regularizations in both space and time to estimate quantities like net ecosystem exchange (NEE) on weekly timescales over fine spatial scales. We developed and tested a new method focusing observational constraints on estimation of corrections to slowly varying biospheric processes, which control time-averaged sources and sinks. Rather than estimate weekly additive corrections to NEE, we estimate persistent multiplicative biases to time mean and several seasonal harmonics of gross primary production (GPP) and total respiration (RESP). We tested the new method by estimating corrections to simulated component fluxes from the Simple Biosphere Model 4 (SiB4) using observations from 8 different eddy-covariance flux towers selected from the North American Carbon Program (NACP) site synthesis dataset. The time-filtering method correctly estimates of both the net and component fluxes and is more robust to observational uncertainty than a control experiment meant to represent current global inversions. Furthermore, the new method is flexible enough to separately estimate component fluxes (GPP and RESP) using additional observational constraints even with a high degree of uncertainty.

  18. 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.

  19. 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.

  20. An Individual-Oriented Model on the Emergence of Support in Fights, Its Reciprocation and Exchange

    PubMed Central

    Hemelrijk, Charlotte K.; Puga-Gonzalez, Ivan

    2012-01-01

    Complex social behaviour of primates has usually been attributed to the operation of complex cognition. Recently, models have shown that constraints imposed by the socio-spatial structuring of individuals in a group may result in an unexpectedly high number of patterns of complex social behaviour, resembling the dominance styles of egalitarian and despotic species of macaques and the differences between them. This includes affiliative patterns, such as reciprocation of grooming, grooming up the hierarchy, and reconciliation. In the present study, we show that the distribution of support in fights, which is the social behaviour that is potentially most sophisticated in terms of cognitive processes, may emerge in the same way. The model represents the spatial grouping of individuals and their social behaviour, such as their avoidance of risks during attacks, the self-reinforcing effects of winning and losing their fights, their tendency to join in fights of others that are close by (social facilitation), their tendency to groom when they are anxious, the reduction of their anxiety by grooming, and the increase of anxiety when involved in aggression. Further, we represent the difference in intensity of aggression apparent in egalitarian and despotic macaques. The model reproduces many aspects of support in fights, such as its different types, namely, conservative, bridging and revolutionary, patterns of choice of coalition partners attributed to triadic awareness, those of reciprocation of support and ‘spiteful acts’ and of exchange between support and grooming. This work is important because it suggests that behaviour that seems to result from sophisticated cognition may be a side-effect of spatial structure and dominance interactions and it shows that partial correlations fail to completely omit these effects of spatial structure. Further, the model is falsifiable, since it results in many patterns that can easily be tested in real primates by means of existing

  1. 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.

  2. An individual-oriented model on the emergence of support in fights, its reciprocation and exchange.

    PubMed

    Hemelrijk, Charlotte K; Puga-Gonzalez, Ivan

    2012-01-01

    Complex social behaviour of primates has usually been attributed to the operation of complex cognition. Recently, models have shown that constraints imposed by the socio-spatial structuring of individuals in a group may result in an unexpectedly high number of patterns of complex social behaviour, resembling the dominance styles of egalitarian and despotic species of macaques and the differences between them. This includes affiliative patterns, such as reciprocation of grooming, grooming up the hierarchy, and reconciliation. In the present study, we show that the distribution of support in fights, which is the social behaviour that is potentially most sophisticated in terms of cognitive processes, may emerge in the same way. The model represents the spatial grouping of individuals and their social behaviour, such as their avoidance of risks during attacks, the self-reinforcing effects of winning and losing their fights, their tendency to join in fights of others that are close by (social facilitation), their tendency to groom when they are anxious, the reduction of their anxiety by grooming, and the increase of anxiety when involved in aggression. Further, we represent the difference in intensity of aggression apparent in egalitarian and despotic macaques. The model reproduces many aspects of support in fights, such as its different types, namely, conservative, bridging and revolutionary, patterns of choice of coalition partners attributed to triadic awareness, those of reciprocation of support and 'spiteful acts' and of exchange between support and grooming. This work is important because it suggests that behaviour that seems to result from sophisticated cognition may be a side-effect of spatial structure and dominance interactions and it shows that partial correlations fail to completely omit these effects of spatial structure. Further, the model is falsifiable, since it results in many patterns that can easily be tested in real primates by means of existing data

  3. A system dynamics evaluation model: implementation of health information exchange for public health reporting

    PubMed Central

    Merrill, Jacqueline A; Deegan, Michael; Wilson, Rosalind V; Kaushal, Rainu; Fredericks, Kimberly

    2013-01-01

    Objective To evaluate the complex dynamics involved in implementing electronic health information exchange (HIE) for public health reporting at a state health department, and to identify policy implications to inform similar implementations. Materials and methods Qualitative data were collected over 8 months from seven experts at New York State Department of Health who implemented web services and protocols for querying, receipt, and validation of electronic data supplied by regional health information organizations. Extensive project documentation was also collected. During group meetings experts described the implementation process and created reference modes and causal diagrams that the evaluation team used to build a preliminary model. System dynamics modeling techniques were applied iteratively to build causal loop diagrams representing the implementation. The diagrams were validated iteratively by individual experts followed by group review online, and through confirmatory review of documents and artifacts. Results Three casual loop diagrams captured well-recognized system dynamics: Sliding Goals, Project Rework, and Maturity of Resources. The findings were associated with specific policies that address funding, leadership, ensuring expertise, planning for rework, communication, and timeline management. Discussion This evaluation illustrates the value of a qualitative approach to system dynamics modeling. As a tool for strategic thinking on complicated and intense processes, qualitative models can be produced with fewer resources than a full simulation, yet still provide insights that are timely and relevant. Conclusions System dynamics techniques clarified endogenous and exogenous factors at play in a highly complex technology implementation, which may inform other states engaged in implementing HIE supported by federal Health Information Technology for Economic and Clinical Health (HITECH) legislation. PMID:23292910

  4. Pitch angle dependence of the charge exchange lifetime of ring current ions in a Mead-Fairfield magnetic field model

    NASA Astrophysics Data System (ADS)

    Mukherjee, G. K.; Rajaram, R.

    1989-11-01

    This paper examines the necessity of using a realistic magnetospheric magnetic field geometry in the computation of the pitch-angle dependence of the charge exchange lifetime of ring current ions. The Chamberlain (1963) model is used for the atomic hydrogen density, and the pitch-angle dependence of the charge exchange lifetime, tau, has been computed for coefficients corresponding to different levels of geomagnetic activity in the Mead-Fairfield (1975) model of magnetic field. It is shown that using the correct model of the magnetic field is as important as adopting the proper exospheric temperature in the model for the neutral hydrogen model. A local time dependence of the pitch-angle dependence of tau also results from the adoption of a realistic description of the magnetic field.

  5. Evaluation of the SHAW Model for within-canopy radiation exchange

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Radiation exchange at the surface plays a critical role in the surface energy balance, plant microclimate, and plant growth. The ability to simulate the surface energy balance and the microclimate within the plant canopy is contingent upon simulation of the surface radiation exchange. A validation a...

  6. 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...

  7. 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...

  8. Mechanisms underlying gas exchange alterations in an experimental model of pulmonary embolism.

    PubMed

    Ferreira, J H T; Terzi, R G G; Paschoal, I A; Silva, W A; Moraes, A C; Moreira, M M

    2006-09-01

    The aim of the present study was to determine the ventilation/perfusion ratio that contributes to hypoxemia in pulmonary embolism by analyzing blood gases and volumetric capnography in a model of experimental acute pulmonary embolism. Pulmonary embolization with autologous blood clots was induced in seven pigs weighing 24.00 +/- 0.6 kg, anesthetized and mechanically ventilated. Significant changes occurred from baseline to 20 min after embolization, such as reduction in oxygen partial pressures in arterial blood (from 87.71 +/- 8.64 to 39.14 +/- 6.77 mmHg) and alveolar air (from 92.97 +/- 2.14 to 63.91 +/- 8.27 mmHg). The effective alveolar ventilation exhibited a significant reduction (from 199.62 +/- 42.01 to 84.34 +/- 44.13) consistent with the fall in alveolar gas volume that effectively participated in gas exchange. The relation between the alveolar ventilation that effectively participated in gas exchange and cardiac output (V Aeff/Q ratio) also presented a significant reduction after embolization (from 0.96 +/- 0.34 to 0.33 +/- 0.17 fraction). The carbon dioxide partial pressure increased significantly in arterial blood (from 37.51 +/- 1.71 to 60.76 +/- 6.62 mmHg), but decreased significantly in exhaled air at the end of the respiratory cycle (from 35.57 +/- 1.22 to 23.15 +/- 8.24 mmHg). Exhaled air at the end of the respiratory cycle returned to baseline values 40 min after embolism. The arterial to alveolar carbon dioxide gradient increased significantly (from 1.94 +/- 1.36 to 37.61 +/- 12.79 mmHg), as also did the calculated alveolar (from 56.38 +/- 22.47 to 178.09 +/- 37.46 mL) and physiological (from 0.37 +/- 0.05 to 0.75 +/- 0.10 fraction) dead spaces. Based on our data, we conclude that the severe arterial hypoxemia observed in this experimental model may be attributed to the reduction of the V Aeff/Q ratio. We were also able to demonstrate that V Aeff/Q progressively improves after embolization, a fact attributed to the alveolar ventilation

  9. 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

  10. 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

  11. Modeling ecohydrological controls on net CO2 exchange of a boreal fen

    NASA Astrophysics Data System (ADS)

    Grant, R.; Mezbahuddin, S.; Flanagan, L.

    2012-04-01

    reduced near surface peat decomposition. However this reduction was offset by more rapid decomposition in deeper peat layers so that total RE increased. Concurrent increases in GPP and RE caused simulated and measured NEP to change in complex ways with deeper water tables. These complex changes in seasonal and annual CO2 exchange with changes in hydrology can be simulated with models that represent basic processes for soil-plant-atmosphere transfers of gases, particularly O2, as well as those of water and energy. Such models can provide a predictive capability for how peatland productivity might change with hydrology under future climates.

  12. Modeling Complex Water Table Effects on Net CO2 Exchange of Western Canadian Peatlands

    NASA Astrophysics Data System (ADS)

    Mezbahuddin, Mohammad; Grant, Robert; Flanagan, Lawrence

    2013-04-01

    reduction was offset by more rapid decomposition in deeper peat layers so that total RE increased. Concurrent increases in GPP and RE caused simulated and measured NEP to change in complex ways with deeper water tables. These complex changes in seasonal and annual CO2exchange with changes in hydrology can be simulated with models that represent basic processes for soil-plant-atmosphere transfers of gases, particularly O2, as well as those of water and energy. Such models can provide a predictive capability for how peatland productivity might change with hydrology under future climates.

  13. Applications of the Atmosphere-Land Exchange Inverse (ALEXI) Model and Highlights of Current Projects

    NASA Astrophysics Data System (ADS)

    Hain, C.; Mecikalski, J. R.; Schultz, L. A.

    2009-12-01

    The Atmosphere-Land Exchange Inverse (ALEXI) model was developed as an auxiliary means for estimating surface fluxes over large regions primarily using remote-sensing data. The model is unique in that no information regarding antecedent precipitation or moisture storage capacity is required - the surface moisture status is deduced from a radiometric temperature change signal. ALEXI uses the available water fraction (fAW) as a proxy for soil moisture conditions. Combining fAW with ALEXI’s ability to provide valuable information about the partitioning of the surface energy budget, which can dictated largely by soil moisture conditions, accommodates the retrieval of an average fAW from the surface to the rooting depth of the active vegetation. Using this approach has many advantages over traditional energy flux and soil moisture measurements (towers with limited range and large monetary/personnel costs) or approximation methods (parametrization of the relationship between available water and soil moisture) in that data is available both spatially and temporal over a large, non-homogeneous, sometimes densely vegetated area. Being satellite based, the model can be run anywhere thermal infrared satellite information is available. The current ALEXI climatology dates back to March 2000 and covers the continental U.S. Examples of projects underway using the ALEXI soil moisture retrieval tools include the Southern Florida Water Management Project; NASA’s Project Nile, which proposes to acquire hydrological information for the water management in the Nile River basin; and a USDA pro ject to expand the ALEXI framework to include Europe and parts of northern Africa using data from the European geostationary satellites, specifically the Meteosat Second Generation (MSG) Series.

  14. 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.

  15. Exchange-bias phenomena and modeling in nanocrystalline powders of MnO/FeCo and NiO/Fe

    NASA Astrophysics Data System (ADS)

    Cornejo, D. R.; Padrón Hernández, E.; Azevedo, A.; Rezende, S. M.

    2005-05-01

    An approach towards the modeling of the magnetic behavior in heterogeneous systems of exchange-coupled antiferromagnetic (AF) and ferromagnetic (FM) particles with composition (AF)x+(FM)1-x is presented. The model is based on the Preisach hysteresis model and correctly predicts the correlation between the exchange-bias field and the mean grain size of the material, as established from the measurements of the hysteresis loops in mechanically alloyed (MnO)+(α-FeCo). The model was also used to calculate the unidirectional anisotropy interface energies in both this and (NiO)x+(α-Fe)1-x system; in the latter case, the predicted value was in full agreement with that reported for antiferromagnetic layers of NiO.

  16. Lobster hepatopancreatic epithelial single cell suspensions as models for electrogenic sodium-proton exchange.

    PubMed

    Mandal, Prabir K

    2004-03-01

    Sodium-proton antiporters, also called Na+/H+ exchangers (NHE), are vital transmembrane proteins involved in multiple cellular functions including transepithelial ion transport and Na+ homeostasis of cells throughout the biological kingdom. Na+/H+ exchange is accelerated by cytosolic acidification and also by osmotically induced cell shrinking, thereby promoting recovery of the physiological pHi and volume. Eight isoforms of Na+/H+ exchangers have been cloned and characterized to date and share the same overall structure, but exhibit differences with respect to cellular localization, kinetic variables and plasma membrane targeting, in polarized epithelial cells. The electrogenic Na+ absorption across tight epithelia from invertebrates follow significantly different principles from the electroneutral Na+/H+ antiporter found in vertebrates. In all invertebrate cells examined, the antiporter displayed a 2Na+/1H+ transport stoichiometry and this transport was markedly inhibited by exogenous calcium and zinc. Na+/H+ exchangers (NHE) are present in crustacean hepatopancreatic cell type suspensions and are believed to function in acid-base regulation by driving the extrusion of protons across the hepatopancreatic epithelium in exchange for Na+ in the sea water. A brief review of current knowledge about Na+/H+ exchangers has been presented. In addition, understanding of hepatopancreatic Na+/H+ exchange is described as obtained after isolation of purified E-, R-, F- and B-cell suspensions from the whole organ by centrifugal elutriation. PMID:15123186

  17. 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.

  18. 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.

  19. Investigation of interbasin exchange and interannual variability in Lake Erie using an unstructured-grid hydrodynamic model

    NASA Astrophysics Data System (ADS)

    Niu, Qianru; Xia, Meng; Rutherford, Edward S.; Mason, Doran M.; Anderson, Eric J.; Schwab, David J.

    2015-03-01

    Interbasin exchange and interannual variability in Lake Erie's three basins are investigated with the help of a three-dimensional unstructured-grid-based Finite Volume Coastal Ocean Model (FVCOM). Experiments were carried out to investigate the influence of grid resolutions and different sources of wind forcing on the lake dynamics. Based on the calibrated model, we investigated the sensitivity of lake dynamics to major external forcing, and seasonal climatological circulation patterns are presented and compared with the observational data and existing model results. It was found that water exchange between the western basin (WB) and the central basin (CB) was mainly driven by hydraulic and density-driven flows, while density-driven flows dominate the interaction between the CB and the eastern basin (EB). River-induced hydraulic flows magnify the eastward water exchange and impede the westward one. Surface wind forcing shifts the pathway of hydraulic flows in the WB, determines the gyre pattern in the CB, contributes to thermal mixing, and magnifies interbasin water exchange during winter. Interannual variability is mainly driven by the differences in atmospheric forcing, and is most prominent in the CB.

  20. Three-Dimensional Tracer Model Study of Atmospheric CO2 - Response to Seasonal Exchanges with the Terrestrial Biosphere

    NASA Technical Reports Server (NTRS)

    Fung, I.; Prentice, K.; Matthews, E.; Lerner, J.; Russell, G.

    1983-01-01

    A three-dimensional tracer transport model is used to investigate the annual cycle of atmospheric CO2 concentration produced by seasonal exchanges with the terrestrial biosphere. The tracer model uses winds generated by a global general circulation model to advect and convect CO2; no explicit diffusion coefficients are employed. A biospheric exchange function constructed from a map of net primary productivity, and Azevedo's (1982) seasonality of CO2 uptake and release closely simulates the annual cycles at coastal stations. The results show that zonal homogeneity in surface CO2 concentrations can never be achieved at mid-latitudes where the time scale for zonal mixing is longer than the time scale for biospheric exchange. Analysis of the zonal mean balance in the lower troposphere reveals that atmospheric transport processes may alter the CO2 response to local biospheric exchanges by 50% or more. Hence year-to-year variation of the annual CO2 cycle may result from the natural variability of the atmospheric circulation as well as from changes in the sources and sinks.

  1. Exact solution of Heisenberg model with site-dependent exchange couplings and Dzyloshinsky-Moriya interaction

    NASA Astrophysics Data System (ADS)

    Yang, Li-Jun; Cao, Jun-Peng; Yang, Wen-Li

    2015-10-01

    We propose an integrable spin-1/2 Heisenberg model where the exchange couplings and Dzyloshinky-Moriya interactions are dependent on the sites. By employing the quantum inverse scattering method, we obtain the eigenvalues and the Bethe ansatz equation of the system with the periodic boundary condition. Furthermore, we obtain the exact solution and study the boundary effect of the system with the anti-periodic boundary condition via the off-diagonal Bethe ansatz. The operator identities of the transfer matrix at the inhomogeneous points are proved at the operator level. We construct the T-Q relation based on them. From which, we obtain the energy spectrum of the system. The corresponding eigenstates are also constructed. We find an interesting coherence state that is induced by the topological boundary. Project supported by the National Natural Science Foundation of China (Grant Nos. 11174335, 11375141, 11374334, and 11434013) and the National Program for Basic Research of China and the Fund from the Chinese Academy of Sciences.

  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. Chandra Observations and Modeling of Geocoronal Charge Exchange X-Ray Emission During Solar Wind Gusts

    NASA Astrophysics Data System (ADS)

    Kornbleuth, Marc; Wargelin, Bradford J.; Juda, Michael

    2014-06-01

    Solar wind charge exchange (SWCX) X-rays are emitted when highly charged solar wind ions such as O7+ collide with neutral gas. The best known examples of this occur around comets, but SWCX emission also arises in the Earth's tenuous outer atmosphere and throughout the heliosphere as neutral H and He from the interstellar medium flows into the solar system. This geocoronal and heliospheric emission comprises much of the soft X-ray background and is seen in every X-ray observation. Geocoronal emission, although usually weaker than heliospheric emission, arises within a few tens of Earth radii and therefore responds much more quickly (on time scales of less than an hour) to changes in solar wind intensity than the widely distributed heliospheric emission.We have studied a dozen Chandra observations when the flux of solar wind protons and O7+ ions was at its highest. These gusts of wind cause correspondingly abrupt changes in geocoronal SWCX X-ray emission,which may or may not be apparent in Chandra data depending on a given observation's line of sight through the magnetosphere. We compare observed changes in the X-ray background with predictions from a fully 3D analysis of SWCX emission based on magnetospheric simulations using the BATS-R-US model.

  5. 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.

  6. 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

  7. 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

  8. 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

  9. A 15-year Climatology of Deep Stratosphere-troposphere Exchange With A Lagrangian Particle Dispersion Model

    NASA Astrophysics Data System (ADS)

    James, P.; Stohl, A.; Forster, C.; Eckhardt, S.

    Stratosphere-Troposphere Exchange (STE) is a key element of the global atmospheric circulation, impacting on mean atmospheric chemistry budgets in both stratosphere and troposphere. A comprehensive study of deep STE, based on ECMWF global at- mospheric re-analysis data, has been carried out for the EU-project STACCATO with the Lagrangian particle dispersion model FLEXPART. The model was initialised with half a million particles, distributed randomly throughout the atmosphere, and inte- grated continually for 15 years, providing the basis for a climatology of STE, showing its typical timescales, seasonality, and spatial and interannual variability. A major ad- vantage of FLEXPART is enabling one to distinguish between short-term STE, during which air parcels rapidly return to the stratosphere, and deep and/or long-term STE, in which air parcels have subsequently long residence times in the troposphere, thus having a greater impact on atmospheric chemistry. STE distributions relate closely to global circulation features. Stratospheric intrusions occur most frequently in the mid- latitude storm track regions. Much of this air returns to the stratosphere within synop- tic timescales. The more deeply intruded air which remains is subsequently imbedded into the large-scale meridional circulation, resulting in the greatest proportion of old stratospheric air in the tropics and the polar boundary layer, as revealed by age spec- tra. Circulation anomalies (eg. NAO) influence the tropospheric distribution of young stratospheric air in particular. Concentrations of stratospheric air in the troposphere show a distinct winter maximum for deep STE intrusions, especially for cases of rapid descent. The often quoted 'spring maximum' of STE, typically derived by just fo- cussing on cross-tropopause fluxes, applies only in the upper troposphere and thus to shallow STE events alone. Cross-tropopause mass flux is shown to be an inadequate measure for many aspects of STE.

  10. What's community got to do with it? Implementation models of syringe exchange programs.

    PubMed

    Downing, Moher; Riess, Thomas H; Vernon, Karen; Mulia, Nina; Hollinquest, Marilyn; McKnight, Courtney; Jarlais, Don C Des; Edlin, Brian R

    2005-02-01

    Syringe exchange programs (SEPs) have been shown to be highly effective in reducing HIV transmission among injection drug users (IDUs). Despite this evidence, SEPs have not been implemented in many communities experiencing HIV epidemics among IDUs. We interviewed 17 key informants in nine U.S. cities to identify factors and conditions that facilitated or deterred the adoption of SEPs. Cities were selected to represent diversity in size, geographic location, AIDS incidence rates, and SEP implementation. Key informants included HIV prevention providers, political leaders, community activists, substance use and AIDS researchers, and health department directors. SEPs were established by one or more of three types of implementation models: (a) broad community coalition support, (b) community activist initiative, and (c) top-down decision making by government authorities. In each model, coalition building and community consultation were critical steps for the acceptance and sustainability of SEPs. When others were not prepared to act, community activists spearheaded SEP development, taking risks in the face of opposition, but often lacked the resources to sustain their efforts. Leadership from politicians and public health officials provided needed authority, clout, and access to resources. Researchers and scientific findings lent force and legitimacy to the effort. Rather than adopting adversarial positions, successful SEP implementers worked with or avoided the opposition. Fear of repercussions and lack of leadership were the greatest barriers to implementing SEPs. Communities that successfully implemented SEPs were those with activists willing to push the agenda, public officials willing to exercise leadership, researchers able to present authoritative findings, and proponents who effectively mobilized resources and worked to build community coalitions, using persistent but nonadversarial advocacy. PMID:15843111

  11. Simple Continuous and Discrete Models for Simulating Replica Exchange Simulations of Protein Folding

    PubMed Central

    Zheng, Weihua; Andrec, Michael; Gallicchio, Emilio; Levy, Ronald M.

    2010-01-01

    The efficiency of temperature replica exchange (RE) simulations hinge on their ability to enhance conformational sampling at physiological temperatures by taking advantage of more rapid conformational interconversions at higher temperatures. While temperature RE is a parallel simulation technique that is relatively straightforward to implement, kinetics in the RE ensemble is complicated and there is much to learn about how best to employ RE simulations in computational biophysics. Protein folding rates often slow down above a certain temperature due to entropic bottlenecks. This “anti-Arrhenius” behavior represents a challenge for RE. However, it is far from straightforward to systematically explore the impact of this on RE by brute force molecular simulations, since RE simulations of protein folding are very difficult to converge. To understand some of the basic mechanisms that determine the efficiency of RE it is useful to study simplified low dimensionality systems that share some of the key characteristics of molecular systems. Results are presented concerning the efficiency of temperature RE on a continuous two-dimensional potential that contains an entropic bottleneck. Optimal efficiency was obtained when the temperatures of the replicas did not exceed the temperature at which the harmonic mean of the folding and unfolding rates is maximized. This confirms a result we previously obtained using a discrete network model of RE. Comparison of the efficiencies obtained using the continuous and discrete models makes it possible to identify non-Markovian effects which slow down equilibration of the RE ensemble on the more complex continuous potential. In particular, the rate of temperature diffusion and also the efficiency of RE is limited by the timescale of conformational rearrangements within free energy basins. PMID:18251533

  12. 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.

  13. 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.

  14. 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.

  15. Modelling interfacial coupling in thin film magnetic exchange springs at finite temperature

    NASA Astrophysics Data System (ADS)

    Saharan, L.; Morrison, C.; Miles, J. J.; Thomson, T.; Schrefl, T.; Hrkac, G.

    2013-10-01

    We report a numerical study that demonstrates the interface layer between a soft and hard magnetic phase, the exchange transition layer, is the dominant factor that influences the magnetization reversal process at room temperature and long measurement times. It is found that the exchange transition layer thickness affects the magnetization reversal and the coupling of a bi-layer system by lowering the switching field and changing the angle dependent magnetization reversal. We show that the change in angle dependence of reversal is due to an increased incoherency in the lateral spin behavior. Changing the value of exchange coupling in the exchange transition layer affects only the angle dependent behavior and does not lower the switching field.

  16. Comparison of practical vertical ground heat exchanger sizing methods to a Fort Polk data/model benchmark

    SciTech Connect

    Thornton, J.W.; McDowell, T.P.; Hughes, P.J.

    1997-09-01

    The results of five practical vertical ground heat exchanger sizing programs are compared against a detailed simulation model that has been calibrated to monitored data taken from one military family housing unit at Fort Polk, Louisiana. The calibration of the detailed model to data is described in a companion paper. The assertion that the data/detailed model is a useful benchmark for practical sizing methods is based on this calibration. The results from the comparisons demonstrate the current level of agreement between vertical ground heat exchanger sizing methods in common use. It is recommended that the calibration and comparison exercise be repeated with data sets from additional sites in order to build confidence in the practical sizing methods.

  17. 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.

  18. 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.

  19. Photoproduction of π + π - pairs in a model with tensor-pomeron and vector-odderon exchange

    NASA Astrophysics Data System (ADS)

    Bolz, Arthur; Ewerz, Carlo; Maniatis, Markos; Nachtmann, Otto; Sauter, Michel; Schöning, André

    2015-01-01

    We consider the reaction γp → π + π - p at high energies. Our description includes dipion production via the resonances ρ, ω, ρ ' and f 2, and via non-resonant mechanisms. The calculation is based on a model of high energy scattering with the exchanges of photon, pomeron, odderon and reggeons. The pomeron and the C = +1 reggeons are described as effective tensor exchanges, the odderon and the C = -1 reggeons as effective vector exchanges. We obtain a gauge-invariant version of the Drell-Söding mechanism which produces the skewing of the ρ-meson shape. Starting from the explicit formulae for the matrix element for dipion production we construct an event generator which comprises all contributions mentioned above and includes all interference terms. We give examples of total and differential cross sections and discuss asymmetries which are due to interference of C = +1 and C = -1 exchange contributions. These asymmetries can be used to search for odderon effects. Our model is intended to provide all necessary theoretical tools for a detailed experimental analysis of elastic dipion production for which data exist from fixed target experiments, from HERA, and are now being collected by LHC experiments.

  20. 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%.

  1. Transport of a reactive tracer in saturated alluvium described using a three-component cation-exchange model.

    PubMed

    Sullivan, Enid J; Reimus, Paul W; Counce, Dale A

    2003-01-01

    A weakly sorbing cation, lithium, will be used as a reactive tracer in upcoming field tracer tests in the saturated alluvium south of Yucca Mountain, Nevada. One objective of the field tests is to determine how well field-scale reactive transport can be predicted using transport parameters derived from laboratory experiments. This paper describes several laboratory lithium batch sorption and column transport experiments that were conducted using ground water and alluvium obtained from the site of the planned field tests. In the batch experiments, isotherms were determined over 2.5 orders of magnitude of lithium concentrations, corresponding to the range expected in the field tests. In addition to measuring equilibrium lithium concentrations, concentrations of other cations, namely Na(+), K(+), and Ca(2+), were measured in the batch tests to determine Li(+)-exchangeable equilibria. This information was used in conjunction with alluvium cation exchange capacity measurements to parameterize a three-component cation-exchange model (EQUIL) that describes lithium sorption in the alluvium system. This model was then applied to interpret the transport behavior of lithium ion in saturated alluvium column tests conducted at three different lithium bromide injection concentrations. The concentrations were selected such that lithium ion either dominated, accounted for a little over half, or accounted for only a small fraction of the total cation equivalents in the injection solution. Although tracer breakthrough curves differed significantly under each of these conditions, with highly asymmetric responses occurring at the highest injection concentrations, the three-component cation-exchange model reproduced the observed transport behavior of lithium and the other cations in each case with a similar set of model parameters. In contrast, a linear K(d)-type sorption model could only match the lithium responses at the lowest injection concentration. The three-component model will

  2. 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.

  3. 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

  4. Modelling land atmosphere exchange of gaseous oxides of nitrogen in Europe

    NASA Astrophysics Data System (ADS)

    Duyzer, Jan; Fowler, David

    1994-11-01

    Nitrogen oxides in ambient air in industrial countries result mainly from emissions of nitric oxide (NO) from fossil fuel combustion. In the presence of ozone (O3), NO is rapidly converted into nitrogen dioxide (NO2). Further oxidation of NO2 leads to the formation of a range of compounds, the most important of which are: nitric acid (HNO3), peroxy acetyl nitrate (PAN) and nitrous acid (HNO2). The environmental effects of these compounds include eutrophication of natural ecosystems, acidification and photochemical air pollution. It is therefore necessary to understand the dry deposition processes for these compounds and use this understanding to provide estimates of dry deposition inputs to ecosystems across Europe. This review outlines current understanding of the exchange processes and methods used to estimate regional NOy deposition. Several methods have been used to measure dry deposition. Among these micrometeorological methods provide the best approach for estimating fluxes in the field. However, few field measurements of the deposition velocity of NO2 to important ecosystems have been reported and the results have not always been conclusive. Measurement artefacts such as non-stationarity caused by local sources, monitors responding to other gases than NO2 and the influence of photochemical reactions have made field measurement very difficult. More recent field work however has provided strong indications that NO2 deposition to vegetation is controlled by stomatal opening. This implies that the deposition velocity shows a marked diurnal as well as an annual cycle with maximum values up to 1cm s-1 during the day in the summer. Few measurements of HNO2 exchange have been reported, but based on knowledge of its physical-chemical properties it is expected that HNO2 is taken up via stomata. Measurements of PAN also indicate uptake controlled by stomatal opening. Several

  5. Fractional Market Model and its Verification on the Warsaw STOCK Exchange

    NASA Astrophysics Data System (ADS)

    Kozłowska, Marzena; Kasprzak, Andrzej; Kutner, Ryszard

    We analyzed the rising and relaxation of the cusp-like local peaks superposed with oscillations which were well defined by the Warsaw Stock Exchange index WIG in a daily time horizon. We found that the falling paths of all index peaks were described by a generalized exponential function or the Mittag-Leffler (ML) one superposed with various types of oscillations. However, the rising paths (except the first one of WIG which rises exponentially and the most important last one which rises again according to the ML function) can be better described by bullish anti-bubbles or inverted bubbles.2-4 The ML function superposed with oscillations is a solution of the nonhomogeneous fractional relaxation equation which defines here our Fractional Market Model (FMM) of index dynamics which can be also called the Rheological Model of Market. This solution is a generalized analog of an exactly solvable fractional version of the Standard or Zener Solid Model of viscoelastic materials commonly used in modern rheology.5 For example, we found that the falling paths of the index can be considered to be a system in the intermediate state lying between two complex ones, defined by short and long-time limits of the Mittag-Leffler function; these limits are given by the Kohlrausch-Williams-Watts (KWW) law for the initial times, and the power-law or the Nutting law for asymptotic time. Some rising paths (i.e., the bullish anti-bubbles) are a kind of log-periodic oscillations of the market in the bullish state initiated by a crash. The peaks of the index can be viewed as precritical or precrash ones since: (i) the financial market changes its state too early from the bullish to bearish one before it reaches a scaling region (defined by the diverging power-law of return per unit time), and (ii) they are affected by a finite size effect. These features could be a reminiscence of a significant risk aversion of the investors and their finite number, respectively. However, this means that the

  6. 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.

  7. Mass exchange in an experimental new-generation life support system model based on biological regeneration of environment.

    PubMed

    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

    2003-01-01

    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 worms, 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 biogenic elements, shows an almost 100% closure of the cycle inside

  8. 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

  9. Modeling data from titration, amide H/D exchange, and mass spectrometry to obtain protein-ligand binding constants.

    PubMed

    Zhu, Mei M; Rempel, Don L; Gross, Michael L

    2004-03-01

    We recently reported a new method for quantification of protein-ligand interaction by mass spectrometry, titration and H/D exchange (PLIMSTEX) for determining the binding stoichiometry and affinity of a wide range of protein-ligand interactions. Here we describe the method for analyzing the PLIMSTEX titration curves and evaluate the effect of various models on the precision and accuracy for determining binding constants using H/D exchange and a titration. The titration data were fitted using a 1:n protein:ligand sequential binding model, where n is the number of binding sites for the same ligand. An ordinary differential equation was used for the first time in calculating the free ligand concentration from the total ligand concentration. A nonlinear least squares regression method was applied to minimize the error between the calculated and the experimentally measured deuterium shift by varying the unknown parameters. A resampling method and second-order statistics were used to evaluate the uncertainties of the fitting parameters. The interaction of intestinal fatty-acid-binding protein (IFABP) with a fatty-acid carboxylate and that of calmodulin with Ca(2+) are used as two tests. The modeling process described here not only is a new tool for analyzing H/D exchange data acquired by ESI-MS, but also possesses novel aspects in modeling experimental titration data to determine the affinity of ligand binding. PMID:14998541

  10. 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

  11. 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.

  12. 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.

  13. 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

  14. 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

  15. 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...

  16. Peturbative gluon exchange in a covariant quark model of the pion

    SciTech Connect

    Ito, Hiroshi; Buck, W.W. . Dept. of Physics); Gross, F. . Dept. of Physics Continuous Electron Beam Accelerator Facility, Newport News, VA )

    1990-01-01

    A covariant pion wave function, which reproduces the low energy data, is used to calculate the perturbative gluon exchange contributions to the pion charge form factor. It is found that the perturbative process dominates at q > 3.5 GeV/c. The dependence on the quark mass and the asymptotic behavior of the form factor are explicitly displayed.

  17. 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…

  18. 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.

  19. Micromagnetic Modeling of Reversal Nucleation in Core/Shell Exchange-Spring Structures

    NASA Astrophysics Data System (ADS)

    Jiang, J. S.; Bader, Sam

    2015-03-01

    Nanocomposite exchange-spring permanent magnet materials promise superior performance and are a potential solution to the supply criticality in rare earth elements. The nucleation of magnetization reversal in cylindrical and spherical soft core/hard shell exchange-spring structures has been investigated by solving the linearized Brown's equation perturbatively, and has been verified with numerical simulations. Accounting for the magnetostatic self-interaction field leads to a modification to the proposed quasi-coherent ``bulging'' mode of nucleation for small core sizes. The modified curling mode, where the magnetization configuration is vortex-like and flux-closed, becomes favored at large core sizes. The mode crossover occurs at a core diameter of approximately twice the exchange length for the cylindrical geometry. Since flux-closure allows magnetic elements to be densely packed without affecting the nucleation field, a potential direction for improving permanent magnet materials is to induce the modified curling mode by creating a soft-cylinder-in-hard-matrix exchange-spring microstructure. This work was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division.

  20. 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.

  1. Evaluating the use of a continuous approximation for model-based quantification of pulsed chemical exchange saturation transfer (CEST).

    PubMed

    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. PMID:22858666

  2. 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.

  3. 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.

  4. 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

  5. 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.

  6. 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

  7. Zonal rate model for stacked membrane chromatography part II: characterizing ion-exchange membrane chromatography under protein retention conditions.

    PubMed

    Francis, Patrick; von Lieres, Eric; Haynes, Charles

    2012-03-01

    The Zonal Rate Model (ZRM) has previously been shown to accurately account for contributions to elution band broadening, including external flow nonidealities and radial concentration gradients, in ion-exchange membrane (IEXM) chromatography systems operated under nonbinding conditions. Here, we extend the ZRM to analyze and model the behavior of retained proteins by introducing terms for intra-column mass transfer resistances and intrinsic binding kinetics. Breakthrough curve (BTC) data from a scaled-down anion-exchange membrane chromatography module using ovalbumin as a model protein were collected at flow rates ranging from 1.5 to 20 mL min(-1). Through its careful accounting of transport nonidealities within and external to the membrane stack, the ZRM is shown to provide a useful framework for characterizing putative protein binding mechanisms and models, for predicting BTCs and complex elution behavior, including the common observation that the dynamic binding capacity can increase with linear velocity in IEXM systems, and for simulating and scaling separations using IEXM chromatography. Global fitting of model parameters is used to evaluate the performance of the Langmuir, bi-Langmuir, steric mass action (SMA), and spreading-type protein binding models in either correlating or fundamentally describing BTC data. When combined with the ZRM, the bi-Langmuir, and SMA models match the chromatography data, but require physically unrealistic regressed model parameters to do so. In contrast, for this system a spreading-type model is shown to accurately predict column performance while also providing a realistic fundamental explanation for observed trends, including an observed increase in dynamic binding capacity with flow rate. PMID:22012741

  8. Modeling dune-induced hyporheic exchange and nutrient reactions in stream sediments

    NASA Astrophysics Data System (ADS)

    Bardini, L.; Boano, F.; Cardenas, M. B.; Revelli, R.; Ridolfi, L.

    2012-04-01

    The exchange of water across the streambed plays an important role in the ecology of fluvial environments, since it assures the connections of surface and subsurface waters, which have very different peculiarities. Water-borne chemicals are also involved in the process: they enter the sediments with the water and they are transformed into oxidized or reduced substances by biogeochemical reactions, mediated by the hyporheic microbiota. In particular, organic substances can be used as electron donors in a series of redox reactions, with different electron acceptors, e.g., oxygen and nitrate. Nitrification and other secondary reactions also occur as soon as water enters the streambed. These pore-scale transformations concur to affect subsurface solute concentrations and, consequently, the chemistry of upwelling water and the quality of the stream environment. The exchange with the hyporheic zone occurs in response to variations in bed topography, with a very wide range of spatial and temporal scales. For instance, small-scale exchanges are mainly induced by river bed forms, like ripples and dunes, while large-scale exchanges depend on larger geomorphological features. In this work we focus on small-scale exchange induced by the presence of dunes on the streambed, investigating the interplay of hydrological and biogeochemical processes and their effects on solute spatial distribution in the sediments. We numerically simulate the turbulent water flow and the pressure distribution on the streambed and then we evaluate the coupled flow field and biogeochemical reactions in the hyporheic zone in steady-state conditions. Four representative reactive compounds are taken into account: dissolved organic carbon (DOC), oxygen (O2), nitrate (NO3-) and ammonium (NH4+). Sensitivity analyses are also performed to analyze the influence of hydrological and chemical properties of the system on solute reaction rates. The results demonstrate that the stream water quality can strongly

  9. A model-data fusion analysis for examining the response of carbon exchange to environmental variation in crop field

    NASA Astrophysics Data System (ADS)

    Yokozawa, M.; Sakurai, G.; Ono, K.; Mano, M.; Miyata, A.

    2011-12-01

    Agricultural activities, cultivating crops, managing soil, harvesting and post-harvest treatments, are not only affected from the surrounding environment but also change the environment reversely. The changes in environment, temperature, radiation and precipitation, brings changes in crop productivity. On the other hand, the status of crops, i.e. the growth and phenological stage, change the exchange of energy, H2O and CO2 between crop vegetation surface and atmosphere. Conducting the stable agricultural harvests, reducing the Greenhouse Effect Gas (GHG) emission and enhancing carbon sequestration in soil are preferable as a win-win activity. We conducted model-data fusion analysis for examining the response of cropland-atmosphere carbon exchange to environmental variation. The used model consists of two sub models, paddy rice growth sub-model and soil decomposition sub-model. The crop growth sub-model mimics the rice plant growth processes including formation of reproductive organs as well as leaf expansion. The soil decomposition sub-model simulates the decomposition process of soil organic carbon. Assimilating the data on the time changes in CO2 flux measured by eddy covariance method, rice plant biomass, LAI and the final yield with the model, the parameters were calibrated using a stochastic optimization algorithm with a particle filter. The particle filter, which is one of Monte Carlo filters, enable us to evaluating time changes in parameters based on the observed data until the time and to make prediction of the system. Iterative filtering and prediction with changing parameters and/or boundary condition enable us to obtain time changes in parameters governing the crop production as well as carbon exchange. In this paper, we applied the model-data fusion analysis to the two datasets on paddy rice field sites in Japan: only a single rice cultivation, and a single rice and wheat cultivation. We focused on the parameters related to crop production as well as

  10. 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.

  11. Nanostructured exchange coupled hard/soft composites: From the local magnetization profile to an extended 3d simple model

    NASA Astrophysics Data System (ADS)

    Russier, V.; Younsi, K.; Bessais, L.

    2012-03-01

    In nanocomposite magnetic materials the exchange coupling between phases plays a central role in the determination of the extrinsic magnetic properties of the material: coercive field,remanence magnetization. Exchange coupling is therefore of crucial importance in composite systems made of magnetically hard and soft grains or in partially crystallized media including nanosized crystallites in a soft matrix. It has been shown also to be a key point in the control of stratified hard/soft media coercive field in the research for optimized recording media. A signature of the exchange coupling due to the nanostructure is generally obtained on the magnetization curve M(H) with a plateau characteristic of the domain wall compression at the hard/soft interface ending at the depinning of the wall inside the hard phase. This compression/depinning behavior is clearly evidenced through one dimensional description of the interface, which is rigorously possible only in stratified media. Starting from a local description of the hard/soft interface in a model for nanocomposite system we show that one can extend this kind of behavior for system of hard crystallites embedded in a soft matrix.

  12. 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.

    1986-01-01

    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. The first approach was a simple extrapolation that assumed relative within-biome homogeneity, and generated CO/sub 2/ source functions that differed dramatically from published estimates of CO/sub 2/ exchange. The second extrapolation explicitly incorporated within-biome variability in the abiotic variables that drive seasonal biosphere-atmosphere CO/sub 2/ exchange.

  13. 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.

  14. Differential heating and cooling rates in bigeye tuna (Thunnus obesus Lowe): a model of non-steady state heat exchange.

    PubMed

    Malte, Hans; Larsen, Christina; Musyl, Michael; Brill, Richard

    2007-08-01

    We analyzed water temperature, visceral cavity temperature and depth data from archival tags retrieved from bigeye tuna (Thunnus obesus) at liberty in the central Pacific for up to 57 days using a mathematical model of heat exchange. Our model took into account the transfer of heat between the portions of the myotomes comprising red muscle fibers adjacent to the spinal column and served by vascular counter current heat exchanges (henceforth referred to as ;red muscle') and the water, as well as between the red muscle and the temperature sensor of the archival tags in the visceral cavity. Our model successfully predicted the recorded visceral cavity temperatures during vertical excursions provided that the rate constants for heat transfer between the ambient water and the red muscle during cooling (k(low)) and those during heating (k(high)) were very dissimilar. Least-squares fitting of k(low) and k(high) for the entire period that the fish were at liberty yielded values generally in the ranges 0.02-0.04 min(-1) and 0.2-0.6 min(-1) (respectively), with an average ratio k(high)/k(low) of approximately 12. Our results confirmed those from previous studies showing that bigeye tuna have extensive physiological thermoregulatory abilities probably exerted through changes of blood flow patterns that controlled the efficiency of vascular countercurrent heat exchanges. There was a small but significant negative correlation between k(low) and size, whereas there was no correlation between k(high) and size. The maximum swimming speeds during vertical excursions (calculated from the pressure data) occurred midway during ascents and averaged approximately 2 FL s(-1) (where FL=fork length), although speeds as high approximately 4-7 FL s(-1) were also noted. PMID:17644676

  15. 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

  16. Simple model can explain self-inhibition of red cell anion exchange.

    PubMed Central

    Tanford, C

    1985-01-01

    Ion translocation in red cell anion exchange is assumed to occur by means of an alternating access mechanism, in which a critical binding site for the transported ion alternates between two conformational states, each accessible from only one side of the membrane. If this alternating site is located within the transport protein at some distance from one or both surfaces of the membrane, an access channel is required to connect the alternating site to the adjacent bulk solution. This automatically leads to inhibition of transport at high concentrations of the transported ion because release of the ion from the alternating site can occur only via unoccupied channel sites. PMID:2579684

  17. 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.

  18. Multiscale study of bacterial growth: Experiments and model to understand the impact of gas exchange on global growth

    NASA Astrophysics Data System (ADS)

    Lalanne-Aulet, David; Piacentini, Adalberto; Guillot, Pierre; Marchal, Philippe; Moreau, Gilles; Colin, Annie

    2015-11-01

    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. Modelling carbon and water exchange of a grazed pasture in New Zealand constrained by eddy covariance measurements.

    PubMed

    Kirschbaum, Miko U F; Rutledge, Susanna; Kuijper, Isoude A; Mudge, Paul L; Puche, Nicolas; Wall, Aaron M; Roach, Chris G; Schipper, Louis A; Campbell, David I

    2015-04-15

    We used two years of eddy covariance (EC) measurements collected over an intensively grazed dairy pasture to better understand the key drivers of changes in soil organic carbon stocks. Analysing grazing systems with EC measurements poses significant challenges as the respiration from grazing animals can result in large short-term CO2 fluxes. As paddocks are grazed only periodically, EC observations derive from a mosaic of paddocks with very different exchange rates. This violates the assumptions implicit in the use of EC methodology. To test whether these challenges could be overcome, and to develop a tool for wider scenario testing, we compared EC measurements with simulation runs with the detailed ecosystem model CenW 4.1. Simulations were run separately for 26 paddocks around the EC tower and coupled to a footprint analysis to estimate net fluxes at the EC tower. Overall, we obtained good agreement between modelled and measured fluxes, especially for the comparison of evapotranspiration rates, with model efficiency of 0.96 for weekly averaged values of the validation data. For net ecosystem productivity (NEP) comparisons, observations were omitted when cattle grazed the paddocks immediately around the tower. With those points omitted, model efficiencies for weekly averaged values of the validation data were 0.78, 0.67 and 0.54 for daytime, night-time and 24-hour NEP, respectively. While not included for model parameterisation, simulated gross primary production also agreed closely with values inferred from eddy covariance measurements (model efficiency of 0.84 for weekly averages). The study confirmed that CenW simulations could adequately model carbon and water exchange in grazed pastures. It highlighted the critical role of animal respiration for net CO2 fluxes, and showed that EC studies of grazed pastures need to consider the best approach of accounting for this important flux to avoid unbalanced accounting. PMID:25634732

  20. 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.

  1. 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

  2. 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)

  3. 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

  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. Modelling macroeconomic flows related to large ensembles of elementary exchange operations

    NASA Astrophysics Data System (ADS)

    Cross, R.; Mc Namara, H.; Pokrovskii, A.

    2008-02-01

    We investigate a new type of model in connection with macroeconomic flow. This model addresses both equilibrium formation and dynamics away from equilibrium, through the part played by hysteresis. We present numerical results illustrating key qualitative features of the model.

  6. Evaluating the use of a continuous approximation for model-based quantification of pulsed chemical exchange saturation transfer (CEST)

    PubMed Central

    Tee, Y.K.; Khrapitchev, A.A.; Sibson, N.R.; Payne, S.J.; Chappell, M.A.

    2012-01-01

    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. PMID:22858666

  7. Estuary/ocean exchange and tidal mixing in a Gulf of Maine Estuary: A Lagrangian modeling study

    NASA Astrophysics Data System (ADS)

    Bilgili, Ata; Proehl, Jeffrey A.; Lynch, Daniel R.; Smith, Keston W.; Swift, M. Robinson

    2005-12-01

    A Lagrangian particle method embedded within a 2-D finite element code, is used to study the transport and ocean-estuary exchange processes in the well-mixed Great Bay Estuarine System in New Hampshire, USA. The 2-D finite element model, driven by residual, semi-diurnal and diurnal tidal constituents, includes the effects of wetting and drying of estuarine mud flats through the use of a porous medium transport module. The particle method includes tidal advection, plus a random walk model in the horizontal that simulates sub-grid scale turbulent transport processes. Our approach involves instantaneous, massive [O(500,000)] particle releases that enable the quantification of ocean-estuary and inter-bay exchanges in a Markovian framework. The effects of the release time, spring-neap cycle, riverine discharge and diffusion strength on the intra-estuary and estuary-ocean exchange are also investigated. The results show a rather dynamic interaction between the ocean and the estuary with a fraction of the exiting particles being caught up in the Gulf of Maine Coastal Current and swept away. Three somewhat different estimates of estuarine residence time are calculated to provide complementary views of estuary flushing. Maps of residence time versus release location uncover a strong spatial dependency of residence time within the estuary that has very important ramifications for local water quality. Simulations with and without the turbulent random walk show that the combined effect of advective shear and turbulent diffusion is very effective at spreading particles throughout the estuary relatively quickly, even at low (1 m 2/s) diffusivity. The results presented here show that a first-order Markov Chain approach has applicability and a high potential for improving our understanding of the mixing processes in estuaries.

  8. 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.

  9. 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.

  10. Handicapping Social Exchange Theory.

    ERIC Educational Resources Information Center

    Mishler, Barbara

    The economic theory of social exchange has some serious shortcomings when applied to minorities--especially the disabled. First, it assumes dyads comprise the basic unit where exchange occurs and that rewards and costs must occur at that level. Second, the model standardizes the experience of white, Western European and American males. The model…

  11. 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

  12. 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.

  13. 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.

  14. Mutual interactions of redox couples via electron exchange in silicate melts - Models for geochemical melt systems

    NASA Technical Reports Server (NTRS)

    Schreiber, Henry D.; Merkel, Robert C., Jr.; Schreiber, V. Lea; Balazs, G. Bryan

    1987-01-01

    The mutual interactions via electron exchange of redox couples in glass-forming melts were investigated both theoretically and experimentally. A thermodynamic approach for considering the mutual interactions leads to conclusion that the degree of mutual interaction in the melt should be proportional in part to the difference in relative reduction potentials of the interacting redox couples. Experimental studies verify this conclusion for numerous redox couples in several composition/temperature/oxygen fugacity regimes. Geochemical systems simultaneously possess many potentially multivalent elements; the stabilized redox states in the resulting magmas can be explained in part by mutual interactions and by redox buffering through the central Fe(III)- Fe(II) couples in the melts. The significance of these results for basaltic magmas of the earth, moon, and meteorites is addressed.

  15. Modeling of waiting times and price changes in currency exchange data

    NASA Astrophysics Data System (ADS)

    Repetowicz, Przemysław; Richmond, Peter

    2004-11-01

    A theory which describes the share price evolution at financial markets as a continuous-time random walk (Physica A 287 (2000) 468, Physica A 314 (2002) 749, Eur. Phys. J. B 27 (2002) 273, Physica A 376 (2000) 284) has been generalized in order to take into account the dependence of waiting times t on price returns x. A joint probability density function (pdf) φ(x,t) which uses the concept of a Lévy stable distribution is worked out. The theory is fitted to high-frequency US $/Japanese Yen exchange rate and low-frequency 19th century Irish stock data. The theory has been fitted both to price return and to waiting time data and the adherence to data, in terms of the χ2 test statistic, has been improved when compared to the old theory.

  16. 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

  17. 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.

  18. 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.

  19. 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

  20. Circumpolar transport and air-surface exchange of atmospheric mercury at Ny-Ålesund (79° N), Svalbard, spring 2002

    NASA Astrophysics Data System (ADS)

    Sommar, J.; Wängberg, I.; Berg, T.; Gårdfeldt, K.; Munthe, J.; Richter, A.; Urba, A.; Wittrock, F.; Schroeder, W. H.

    2007-01-01

    Mercury in different environmental compartments has been measured at Ny-Ålesund (78°54' N, 11°53' E) during an intensive campaign, 17 April to 14 May 2002. Time-resolved speciated determination of mercury in the atmosphere and snow was conducted at the Norwegian research station at the Zeppelin mountain, 474 m above the sea level, and at the Italian research facility Dirigibile Italia, 12 m above the sea level. Total Gaseous Mercury (TGM) was present in the range <0.1 to 2.2 ng m-3 during the campaign. Three mercury depletion events, identified as periods with decreased TGM concentrations, were observed. At the lower altitude, TGM concentrations following such events were found to exhibit both higher magnitude and larger variability in comparison to results from the Zeppelin station. Oxidised mercury species in air and fall-out with snow as well as mercury attached to particles were also measured and their concentrations were found to be anti-correlated with TGM in air. concentrations of total Hg in snow (Hg-tot) showed a large (~15×) increase in response to Gaseous Elemental Mercury Depletion Events (GEMDEs, range 1.5-76.5 ng L-1). Solid evidence for photo-stimulated emissions of Hg0(g) from the snow pack in conjunction to depletion events were obtained from gradient measurements as well as from flux chamber measurements. Steep diurnal concentration variations of Hg0(aq) in surface seawater were also found to concur with changing solar radiation. The concentration of Hg0(aq) in seawater was found to be in the range 12.2-70.4 pg L-1, which corresponds to supersaturation. Hence, the seawater surface constituted a source emitting elemental mercury. The concentrations of RGM (reactive gaseous mercury), Hg-p (particulate mercury), and BrO column densities (detected by DOAS) were very low except for a few individual samples during the major Hg0 depletion event. BrO vertical column densities obtained by the remote satellite ESR-2 and trajectory analysis indicate that the air masses exhibiting low Hg0 concentrations originated from areas with high BrO densities.

  1. Circumpolar transport and air-surface exchange of atmospheric mercury at Ny-Ålesund (79° N), Svalbard, spring 2002

    NASA Astrophysics Data System (ADS)

    Sommar, J.; Wängberg, I.; Berg, T.; Gårdfeldt, K.; Munthe, J.; Richter, A.; Urba, A.; Wittrock, F.; Schroeder, W. H.

    2004-03-01

    Mercury in different environmental compartments has been measured at Ny-Ålesund (78°54' N, 11°53' E) during an intensive campaign, 17 April to 14 May 2002. Time-resolved speciated determination of mercury in the atmosphere and snow was conducted at the Norwegian research station at the Zeppelin mountain, 474 m above the sea level, and at the Italian research facility Dirigibile Italia, 12 m above the sea level. Total Gaseous Mercury (TGM) was present in the range <0.1 to 2.2 ng m-3 during the campaign. Three mercury depletion events, identified as periods with decreased TGM concentrations, were observed. At the lower altitude, TGM concentrations following such events were found to exhibit both higher magnitude and larger variability in comparison to results from the Zeppelin station. Oxidised mercury species in air and fall-out with snow as well as mercury attached to particles were also measured and their concentrations were found to be anti-correlated with TGM in air. The strongest modulation was observed for total mercury concentration (Hg-tot) in snow (range 1.5-76.5 ng L-1). Solid evidence for photo-stimulated emissions of Hg0(g) from the snow pack in conjunction to depletion events were obtained from gradient measurements as well as from flux chamber measurements. Steep diurnal concentration variations of Hg0(aq) in surface seawater were also found to concur with changing solar radiation. The concentration of Hg0(aq) in seawater was found to be in the range 12.2-70.4 pg L-1, which corresponds to supersaturation. Hence, the seawater surface constituted a source emitting elemental mercury. The concentrations of the transient mercury forms RGM (Reactive Gaseous Mercury) and PM (Particulate Mercury) respectively and BrO column densities detected using a zenith and off-axis sky viewing DOAS instrument were very low except for a few individual samples during the major depletion event. An evaluation of trajectories for selected events and comparisons with BrO vertical column densities obtained by the GOME (Global Ozone Monitoring Experiment) instrument aboard the earth remote sensing satellite ESR-2 indicates that the air masses exhibiting low Hg0 concentrations originated from areas with high BrO densities. It was concluded that the observed depletion events at Ny-Ålesund were a results of transport from areas with high photochemical activity around the polar region.

  2. 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...

  3. 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 ...

  4. A Polyethylene Chamber for Use in Physical Modelling of the Heat Exchange on Surfaces Exposed to a Radiation Regime

    NASA Astrophysics Data System (ADS)

    Okada, Maki; Okada, Masumi; Kusaka, Hiroyuki

    2014-07-01

    Bodies located in outdoor environments are radiatively heated in the daytime and cooled at night. Convective heat transfer is subsequently activated between the body surface and the surrounding air. To investigate these heat-exchange processes, we developed a new apparatus, referred to as a "polyethylene chamber", for use in physical model experiments. The chamber is a 1.51-m-long tube with the ends serving as the air inlet and outlet, and is ventilated in the longitudinal direction by using an exhaust fan. The measurement section of the chamber is open but otherwise the device is covered with 0.02-mm-thick polyethylene film. Because such thin polyethylene film transmits approximately 85 % of both shortwave and longwave radiation, the model surface in the chamber is exposed to a radiation level almost equivalent to the outdoor radiation level. For example, at night the surface of the model is cooled by radiation, and subsequently, the air inside the chamber is cooled by the surface. Consequently, the outlet air temperature becomes lower than the inlet air temperature. The use of this temperature difference between the air inlet and outlet, together with other heat balance components, is a unique approach to the chamber technique for evaluating the heat exchange rate at a model's surface. This report describes the design and heat balance of the chamber, and compares the heat-balance-based approach with another approach based on the radiation-convection balance on the model surface. To demonstrate the performance of the polyethylene chamber, two chambers were exposed to outdoor radiation on a clear night; one contained a leaf model. Air and surface temperatures were measured and the convective heat flux at the surfaces of the model and floor surface were calculated from the heat balance components of the chambers by assuming steady-state heat transfer. The fluxes agreed closely with those obtained from the radiation-convection balance at the model or floor surface

  5. 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

  6. 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.

  7. 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.

  8. p{sub t}-Multiplicity correlations in a multi-pomeron-exchange model with string collective effects

    SciTech Connect

    Armesto, N.; Derkach, D. A.; Feofilov, G. A.

    2008-12-15

    The N{sub ch} - N{sub ch} correlations experimentally observed in the central rapidity region in pp and pp-bar collisions, in a wide energy range from the ISR to Tevatron, are described in the framework of a multi-Pomeron exchange model in which string collectivity has been included in an effective way. Three parameters are obtained from the fit to data: the string tension, the average number of particles per string, and a parameter which effectively introduces string collective effects. The model successfully reproduces the rise of of charged particles, the flattening with growing rapidity density of charged particles and with the collision energy, and the negative p{sub t}-N{sub ch} correlation at low energies. The string tension and the average number of particles per string are energy independent, while the parameter that includes effectively string collective effects shows a smooth increasing behavior with energy.

  9. 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.

  10. 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

  11. 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.

  12. 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

  13. 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

  14. Modeling of exchange bias in the antiferromagnetic (core)/ferromagnetic (shell) nanoparticles with specialized shapes

    NASA Astrophysics Data System (ADS)

    Hu, Yong; Liu, Yan; Du, An

    2011-11-01

    Zero-field-cooled (ZFC) and field-cooled (FC) hysteresis loops of egg- and ellipsoid-shaped nanoparticles with inverted ferromagnetic (FM)-antiferromagnetic (AFM) core-shell morphologies are simulated using a modified Monte Carlo method, which takes into account both the thermal fluctuations and energy barriers during the rotation of spin. Pronounced exchange bias (EB) fields and reduced coercivities are obtained in the FC hysteresis loops. The analysis of the microscopic spin configurations allows us to conclude that the magnetization reversal occurs by means of the nucleation process during both the ZFC and FC hysteresis branches. The nucleation takes place in the form of "sparks" resulting from the energy competition and the morphology of the nanoparticle. The appearance of EB in the FC hysteresis loops is only dependent on that the movements of "sparks" driven by magnetic field at both branches of hysteresis loops are not along the same axis, which is independent of the strength of AFM anisotropy. The tilt of "spark" movement with respect to the symmetric axis implies the existence of additional unidirectional anisotropy at the AFM/FM interfaces as a consequence of the surplus magnetization in the AFM core, which is the commonly accepted origin of EB. Our simulations allow us to clarify the microscopic mechanisms of the observed EB behavior, not accessible in experiments.

  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. Performance and degradation of Proton Exchange Membrane Fuel Cells: State of the art in modeling from atomistic to system scale

    NASA Astrophysics Data System (ADS)

    Jahnke, T.; Futter, G.; Latz, A.; Malkow, T.; Papakonstantinou, G.; Tsotridis, G.; Schott, P.; Gérard, M.; Quinaud, M.; Quiroga, M.; Franco, A. A.; Malek, K.; Calle-Vallejo, F.; Ferreira de Morais, R.; Kerber, T.; Sautet, P.; Loffreda, D.; Strahl, S.; Serra, M.; Polverino, P.; Pianese, C.; Mayur, M.; Bessler, W. G.; Kompis, C.

    2016-02-01

    Proton Exchange Membrane Fuel Cells (PEMFC) are energy efficient and environmentally friendly alternatives to conventional energy conversion systems in many yet emerging applications. In order to enable prediction of their performance and durability, it is crucial to gain a deeper understanding of the relevant operation phenomena, e.g., electrochemistry, transport phenomena, thermodynamics as well as the mechanisms leading to the degradation of cell components. Achieving the goal of providing predictive tools to model PEMFC performance, durability and degradation is a challenging task requiring the development of detailed and realistic models reaching from the atomic/molecular scale over the meso scale of structures and materials up to components, stack and system level. In addition an appropriate way of coupling the different scales is required. This review provides a comprehensive overview of the state of the art in modeling of PEMFC, covering all relevant scales from atomistic up to system level as well as the coupling between these scales. Furthermore, it focuses on the modeling of PEMFC degradation mechanisms and on the coupling between performance and degradation models.

  17. 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 conduc