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Sample records for coupled water transport

  1. Coupled water transport by rat proximal tubule.

    PubMed

    Green, R; Giebisch, G; Unwin, R; Weinstein, A M

    1991-12-01

    Simultaneous microperfusion of proximal tubules and peritubular capillaries in kidneys of rats anesthetized with Inactin was used to examine water reabsorption by this epithelium. Osmolality of the luminal solution was varied with changes in NaCl concentration and by the addition of raffinose. Capillary perfusates contained either low (2 g/dl) or high (16 g/dl) concentrations of albumin. We used low-bicarbonate perfusates for both lumen and capillary so that we might apply the nonequilibrium thermodynamic model of transport for a single solute (NaCl) to interpret our observations. Linear regression with the volume flux equation Jv = -Lp delta II - Lp sigma delta C + Jav (where Jv is volume flux, Lp is hydraulic conductance, delta II is oncotic force, sigma is osmotic reflection coefficient, delta C is salt concentration difference, and Jav is the component of Jv not attributed to transepithelial hydrostatic or osmotic forces) revealed a tubule water permeability (Pf = 0.11 +/- 0.01 cm/s) and a sigma (0.74 +/- 0.08) in agreement with previous determinations. These transport parameters were unaffected by changes in peritubular protein. We also found that Jav was substantial, approximately three-fourths of the rate of isotonic transport under these perfusion conditions. Further, this component of water transport nearly doubled with the transition from low- to high-protein peritubular capillary perfusion. When expressed as a capacity for water reabsorption against an osmotic gradient, the salt concentration differences required to null volume flux were 13.2 +/- 2.4 and 29.4 +/- 4.0 mosmol/kgH2O under low and high peritubular protein. Our data suggest that this protein effect is, most likely, an increase in solute transport by the tubule epithelial cells. PMID:1750518

  2. Models of coupled salt and water transport across leaky epithelia.

    PubMed

    Weinstein, A M; Stephenson, J L

    1981-05-15

    A general formulation is presented for the verification of isotonic transport and for the assignment of a degree of osmotic coupling in any epithelial model. In particular, it is shown that the concentration of the transported fluid in the presence of exactly equal bathing media is, in general, not a sufficient calculation by which to decide the issue of isotonicity of transport. Within this framework, two epithelial models are considered: (1) A nonelectrolyte compartment model of the lateral intercellular space is presented along with its linearization about the condition of zero flux. This latter approximate model is shown to be useful in the estimation of deviation from isotonicity, intraepithelial solute polarization effects, and the capacity to transport water against a gradient. In the case of uphill water transport, some limitations of a model of fixed geometry are indicated and the advantage of modeling a compliant interspace is suggested. (2) A comprehensive model of cell and channel is described which includes the major electrolytes and the possible presence of intraepithelial gradients. The general approach to verification of isotonicity is illustrated for this numerical model. In addition, the insights about parameter dependence gained from the linear compartment model are shown to be applicable to understanding this large simulation. PMID:6264088

  3. Models for coupling of salt and water transport; Proximal tubular reabsorption in Necturus kidney.

    PubMed

    Sackin, H; Boulpaep, E L

    1975-12-01

    Models for coupling of salt and water transport are developed with two important assumptions appropriate for leaky epithelia. (a) The tight junction is permeable to both sale and water. (b) Active Na transport into the lateral speces is assumed to occur uniformly along the length of the channel. The proposed models deal specifically with the intraepithelial mechanism of proximal tubular resbsorption in the Necturus kidney although they have implications for epithelial transport in the gallbladder and small intestine as well. The first model (continuous version) is similar to the standing gradient model devised by Diamond and Bossert but used different boundary conditions. In contrast to Diamond and Bossert's model, the predicted concentration profiles are relatively flat with no sizable gradients along the interspace. The second model (compartment version) expands Curran's model of epithelial salt and water transport by including additional compartments and considering both electrical and chemical driving forces for individual Na and Cl ions as well as hydraulic and osmotic driving forces for water. In both models, ion and water fluxes are investigated as a function of the transport parameters. The behavior of the models is consistent with previously suggested mechanisms for the control of net transport, particularly during saline diuresis. Under all conditions the predicted ratio of net solute to solvent flux, or emergent concentration, deviates from exact isotonicity (except when the basement membrane has an appreciable salt reflection coefficient). However, the degree of hypertonicity may be small enough to be experimentally indistinguishable from isotonic transport. PMID:1104761

  4. Numerical Modeling of Coupled Water Flow and Heat Transport in Soil and Snow

    NASA Astrophysics Data System (ADS)

    Kelleners, T.

    2015-12-01

    A numerical model is developed to calculate coupled water flow and heat transport in seasonally frozen soil and snow. Both liquid water flow and water vapor flow are included. The effect of dissolved ions on soil water freezing point depression is included by combining an expression for osmotic head with the Clapeyron equation and the van Genuchten soil water retention function. The coupled water flow and heat transport equations are solved using the Thomas algorithm and Picard iteration. Ice pressure is always assumed zero and frost heave is neglected. The new model is tested using data from a high-elevation rangeland soil that is subject to significant soil freezing and a mountainous forest soil that is snow-covered for about 8 months of the year. Soil hydraulic parameters are mostly based on measurements and only vegetation parameters are fine-tuned to match measured and calculated soil water content, soil & snow temperature, and snow height. Modeling statistics for both systems show good performance for temperature, intermediate performance for snow height, and relatively low performance for soil water content, in accordance with earlier results with an older version of the model.

  5. Coupled Water Flow and Heat Transport in Seasonally Frozen Soils with Snow Accumulation

    NASA Astrophysics Data System (ADS)

    kelleners, T.

    2013-12-01

    A numerical model is developed to calculate coupled water flow and heat transport in seasonally frozen soil and snow. Separate equations are used to describe both unsaturated and saturated soil water flow. The effect of dissolved ions on soil water freezing point depression is included by combining an expression for osmotic head with the Clapeyron equation and the van Genuchten soil water retention function. The coupled water flow and heat transport equations are solved using the Thomas algorithm and Picard iteration. Ice pressure is always assumed zero and frost heave is neglected. The new model is tested using data from an existing laboratory soil column freezing experiment and an ongoing field experiment in a high-elevation rangeland soil. A dimensionless impedance factor describing the effect of ice pore blocking on soil hydraulic conductivity is treated as a calibration parameter for both cases. Calculated values of total water content for the laboratory soil column freezing experiment compare well with measured values, especially during the early stages of the experiment, as is also found by others. Modeling statistics for the rangeland field experiment show varied performance for soil water content and excellent performance for soil temperature, in accordance with earlier results with an older version of the model.

  6. A Mathematical Model of Solute Coupled Water Transport in Toad Intestine Incorporating Recirculation of the Actively Transported Solute

    PubMed Central

    Larsen, Erik Hviid; Sørensen, Jakob Balslev; Sørensen, Jens Nørkær

    2000-01-01

    A mathematical model of an absorbing leaky epithelium is developed for analysis of solute coupled water transport. The non-charged driving solute diffuses into cells and is pumped from cells into the lateral intercellular space (lis). All membranes contain water channels with the solute passing those of tight junction and interspace basement membrane by convection-diffusion. With solute permeability of paracellular pathway large relative to paracellular water flow, the paracellular flux ratio of the solute (influx/outflux) is small (2–4) in agreement with experiments. The virtual solute concentration of fluid emerging from lis is then significantly larger than the concentration in lis. Thus, in absence of external driving forces the model generates isotonic transport provided a component of the solute flux emerging downstream lis is taken up by cells through the serosal membrane and pumped back into lis, i.e., the solute would have to be recirculated. With input variables from toad intestine (Nedergaard, S., E.H. Larsen, and H.H. Ussing, J. Membr. Biol. 168:241–251), computations predict that 60–80% of the pumped flux stems from serosal bath in agreement with the experimental estimate of the recirculation flux. Robust solutions are obtained with realistic concentrations and pressures of lis, and with the following features. Rate of fluid absorption is governed by the solute permeability of mucosal membrane. Maximum fluid flow is governed by density of pumps on lis-membranes. Energetic efficiency increases with hydraulic conductance of the pathway carrying water from mucosal solution into lis. Uphill water transport is accomplished, but with high hydraulic conductance of cell membranes strength of transport is obscured by water flow through cells. Anomalous solvent drag occurs when back flux of water through cells exceeds inward water flux between cells. Molecules moving along the paracellular pathway are driven by a translateral flow of water, i.e., the model

  7. Water-transporting proteins.

    PubMed

    Zeuthen, Thomas

    2010-04-01

    Transport through lipids and aquaporins is osmotic and entirely driven by the difference in osmotic pressure. Water transport in cotransporters and uniporters is different: Water can be cotransported, energized by coupling to the substrate flux by a mechanism closely associated with protein. In the K(+)/Cl(-) and the Na(+)/K(+)/2Cl(-) cotransporters, water is entirely cotransported, while water transport in glucose uniporters and Na(+)-coupled transporters of nutrients and neurotransmitters takes place by both osmosis and cotransport. The molecular mechanism behind cotransport of water is not clear. It is associated with the substrate movements in aqueous pathways within the protein; a conventional unstirred layer mechanism can be ruled out, due to high rates of diffusion in the cytoplasm. The physiological roles of the various modes of water transport are reviewed in relation to epithelial transport. Epithelial water transport is energized by the movements of ions, but how the coupling takes place is uncertain. All epithelia can transport water uphill against an osmotic gradient, which is hard to explain by simple osmosis. Furthermore, genetic removal of aquaporins has not given support to osmosis as the exclusive mode of transport. Water cotransport can explain the coupling between ion and water transport, a major fraction of transepithelial water transport and uphill water transport. Aquaporins enhance water transport by utilizing osmotic gradients and cause the osmolarity of the transportate to approach isotonicity. PMID:20091162

  8. Solute transport modelling in a coupled water and heat flow system applied to cold regions hydrogeology

    NASA Astrophysics Data System (ADS)

    Frampton, Andrew; Destouni, Georgia

    2016-04-01

    In cold regions, flow in the unsaturated zone is highly dynamic with seasonal variability and changes in temperature, moisture, and heat and water fluxes, all of which affect ground freeze-thaw processes and influence transport of inert and reactive waterborne substances. In arctic permafrost environments, near-surface groundwater flow is further restricted to a relatively shallow and seasonally variable active layer, confined by perennially frozen ground below. The active layer is typically partially saturated with ice, liquid water and air, and is strongly dependent on seasonal temperature fluctuations, thermal forcing and infiltration patterns. Here there is a need for improved understanding of the mechanisms controlling subsurface solute transport in the partially saturated active layer zone. Studying solute transport in cold regions is relevant to improve the understanding of how natural and anthropogenic pollution may change as activities in arctic and sub-arctic regions increase. It is also particularly relevant for understanding how dissolved carbon is transported in coupled surface and subsurface hydrological systems under climate change, in order to better understand the permafrost-hydrological-carbon climate feedback. In this contribution subsurface solute transport under surface warming and degrading permafrost conditions is studied using a physically based model of coupled cryotic and hydrogeological flow processes combined with a particle tracking method. Changes in subsurface water flows and solute transport travel times are analysed for different modelled geological configurations during a 100-year warming period. Results show that for all simulated cases, the minimum and mean travel times increase non-linearly with warming irrespective of geological configuration and heterogeneity structure. The travel time changes are shown to depend on combined warming effects of increase in pathway length due to deepening of the active layer, reduced transport

  9. CTSPAC: MATHEMATICAL MODEL FOR COUPLED TRANSPORT OF WATER, SOLUTES, AND HEAT IN THE SOIL-PLANT-ATMOSPHERE CONTINUUM. VOLUME 1. MATHEMATICAL THEORY AND TRANSPORT CONCEPTS

    EPA Science Inventory

    The mathematical structure of the model consists of the coupling of a model for the transport through soils to a model for transport through plants. The coupled model describes uptake of water and solutes by plants from the soil solution. The rate of uptake is a function of the e...

  10. Lagrangian transport of water vapor and CFCs in a coupled Chemistry Climate Model

    NASA Astrophysics Data System (ADS)

    Hoppe, Charlotte; Müller, Rolf; Hoffmann, Lars; Konopka, Paul; Plöger, Felix; Grooß, Jens-Uwe

    2013-04-01

    We describe the implementation of a Lagrangian transport core in a chemistry climate model (CCM). Thereby we address the common problem of properly representing trace gas distributions in a classical Eulerian framework with a fixed model grid, particularly in regions with strong trace gas gradients. A prominent example is stratospheric water vapor, which is an important driver of surface climate change on decadal scales. In this case, the transport representation is particularly important in the tropical tropopause layer (TTL), where tropospheric air enters into the stratosphere. We have coupled the Chemical Lagrangian Model of the Stratosphere (CLaMS) with the ECHAM-MESSy Atmospheric Chemistry Model (EMAC). The latter includes the ECHAM5 climate model, and the MESSy interface, which allows for flexible coupling and switching between different submodels. The chemistry transport model CLaMS provides a fully Lagrangian transport representation to calculate constituent transport for an ensemble of air parcels that move along trajectories. To facilitate the calculation of long time-series a simplified chemistry scheme was implemented. Various studies show that the CLaMS model is particularly suited to properly represent dynamics and chemistry in the UT/LS region. The analysis of mean age of stratospheric air gives insight into the different transport characteristics of the Eulerian and the Lagrangian transport schemes. Mean age of air, calculated in both frameworks, is compared regarding the representation of important processes, i.e. descent in the polar vortex, upwelling in the tropical pipe, and isentropic in-mixing in subtropical regions. We also compared the zonal mean distributions and photochemical lifetimes of CFC-11 and CFC-12 with climatologies from different satellite experiments (ACE-FTS, HIRDLS, and MIPAS). CLaMS stratospheric water vapor distributions show remarkable differences compared to the stratospheric water vapor simulated by ECHAM, especially in

  11. Development of a Coupled Ocean-Hydrologic Model to Simulate Pollutant Transport in Singapore Coastal Waters

    NASA Astrophysics Data System (ADS)

    Chua, V. P.

    2015-12-01

    Intensive agricultural, economic and industrial activities in Singapore and Malaysia have made our coastal areas under high risk of water pollution. A coupled ocean-hydrologic model is employed to perform three-dimensional simulations of flow and pollutant transport in Singapore coastal waters. The hydrologic SWAT model is coupled with the coastal ocean SUNTANS model by outputting streamflow and pollutant concentrations from the SWAT model and using them as inputs for the SUNTANS model at common boundary points. The coupled model is calibrated with observed sea surface elevations and velocities, and high correlation coefficients that exceed 0.97 and 0.91 are found for sea surface elevations and velocities, respectively. The pollutants are modeled as Gaussian passive tracers, and are released at five upstream locations in Singapore coastal waters. During the Northeast monsoon, pollutants released in Source 1 (Johor River), Source 2 (Tiram River), Source 3 (Layang River) and Source 4 (Layau River) enter the Singapore Strait after 4 days of release and reach Sentosa Island within 9 days. Meanwhile, pollutants released in Source 5 (Kallang River) reach Sentosa Island after 4 days. During the Southwest monsoon, the dispersion time is roughly doubled, with pollutants from Sources 1 - 4 entering the Singapore Strait only after 12 days of release due to weak currents.

  12. A fully coupled model for water-gas-heat reactive transport with methane oxidation in landfill covers.

    PubMed

    Ng, C W W; Feng, S; Liu, H W

    2015-03-01

    Methane oxidation in landfill covers is a complex process involving water, gas and heat transfer as well as microbial oxidation. The coupled phenomena of microbial oxidation, water, gas, and heat transfer are not fully understood. In this study, a new model is developed that incorporates water-gas-heat coupled reactive transport in unsaturated soil with methane oxidation. Effects of microbial oxidation-generated water and heat are included. The model is calibrated using published data from a laboratory soil column test. Moreover, a series of parametric studies are carried out to investigate the influence of microbial oxidation-generated water and heat, initial water content on methane oxidation efficiency. Computed and measured results of gas concentration and methane oxidation rate are consistent. It is found that the coupling effects between water-gas-heat transfer and methane oxidation are significant. Ignoring microbial oxidation-generated water and heat can result in a significant difference in methane oxidation efficiency by 100%. PMID:25489976

  13. Validation of water vapour transport in the tropical tropopause region in coupled Chemistry Climate Models

    NASA Astrophysics Data System (ADS)

    Kremser, S.; Rex, M.; Langematz, U.; Dameris, M.; Wohltmann, I.

    2008-06-01

    In this study backward trajectories from the tropical lower stratosphere were calculated for the Northern Hemisphere (NH) winters 1995-1996, 1997-1998 (El Niño) and 1998-1999 (La Niña) and summers 1996, 1997 and 1999 using both ERA-40 reanalysis data of the European Centre for Medium-Range Weather Forecast (ECMWF) and coupled chemistry climate model (CCM) data. The calculated trajectories were analyzed to determine the distribution of points where individual air masses encounter the minimum temperature and thus minimum water vapour mixing ratio during their ascent through the tropical tropopause layer (TTL) into the stratosphere. The geographical distribution of these dehydration points and the local conditions there determine the overall water vapour entry into the stratosphere. Results of two CCMs are presented: the ECHAM4.L39(DLR)/CHEM (hereafter: E39/C) from the German Aerospace Center (DLR) and the Freie Universität Berlin Climate Middle Atmosphere Model with interactive chemistry (hereafter: FUB-CMAM-CHEM). In the FUB-CMAM-CHEM model the minimum temperatures are overestimated by about 7 K in Northern Hemisphere (NH) winter as well as in NH summer, resulting in too high water vapour entry values compared to ERA-40. However, the geographical distribution of dehydration points is fairly reproduced for NH winter 1995-1996 and 1998-1999 and in all boreal summers. The distribution of dehydration points suggests an influence of the Indian monsoon upon the water vapour transport. The E39/C model displays a temperature bias of about +3 K. Hence, the minimum water vapour mixing ratios are higher relative to ERA-40. The geographical distribution of dehydration points is satisfactory in NH winter 1995-1996 and 1997-1998 with respect to ERA-40. The distribution is not reproduced for the NH winter 1998-1999 (La Niña event) compared to ERA-40. There is excessive mass flux through warm regions e.g. Africa, leading to excessive water vapour flux in the NH winter and

  14. Coupled Soil Water and Heat Transport Near the Land Surface in Arid and Semiarid Regions - Multi-Domain Modeling

    NASA Astrophysics Data System (ADS)

    Mohanty, Binayak; Yang, Zhenlei

    2016-04-01

    Understanding and simulating coupled water and heat transfer appropriately in the shallow subsurface is of vital significance for accurate prediction of soil evaporation that would improve the coupling between land surface and atmosphere, which consequently could enhance the reliability of weather as well as climate forecast. The theory of Philip and de Vries (1957), accounting for water vapor diffusion only, was considered physically incomplete and consequently extended and improved by several researchers by explicitly taking water vapor convection, dispersion or air flow into account. It is generally believed that the soil moisture is usually low in the near surface layer under highly transient field conditions, particularly in arid and semiarid regions, and that accurate characterization of water vapor transport is critical when modeling simultaneous water and heat transport in the shallow field soils. The first objective of this study is thus mainly to test existing coupled water and heat transport theories and to develop reasonable and simplified numerical models using field experimental data collected under semi-arid and arid hydro-climatic conditions. In addition, more complex multi-domain models are developed for ubiquitous heterogeneous terrestrial surfaces such as horizontal textural contrasts or structured heterogeneity including macropores (fractures, cracks, root channels, etc.). This would make coupled water and heat transfer models applicable in such non-homogeneous soils more meaningful and enhance the skill of land-atmosphere interaction models at a larger context.

  15. Delineating the extracellular water-accessible surface of the proton-coupled folate transporter.

    PubMed

    Duddempudi, Phaneendra Kumar; Goyal, Raman; Date, Swapneeta Sanjay; Jansen, Michaela

    2013-01-01

    The proton-coupled folate transporter (PCFT) was recently identified as the major uptake route for dietary folates in humans. The three-dimensional structure of PCFT and its detailed interplay with function remain to be determined. We screened the water-accessible extracellular surface of HsPCFT using the substituted-cysteine accessibility method, to investigate the boundaries between the water-accessible surface and inaccessible buried protein segments. Single-cysteines, engineered individually at 40 positions in a functional cysteine-less HsPCFT background construct, were probed for plasma-membrane expression in Xenopus oocytes with a bilayer-impermeant primary-amine-reactive biotinylating agent (sulfosuccinimidyl 6-(biotinamido) hexanoate), and additionally for water-accessibility of the respective engineered cysteine with the sulfhydryl-selective biotinylating agent 2-((biotinoyl)amino)ethyl methanethiosulfonate. The ratio between Cys-selective over amine-selective labeling was further used to evaluate three-dimensional models of HsPCFT generated by homology / threading modeling. The closest homologues of HsPCFT with a known experimentally-determined three-dimensional structure are all members of one of the largest membrane protein super-families, the major facilitator superfamily (MFS). The low sequence identity--14% or less--between HsPCFT and these templates necessitates experiment-based evaluation and model refinement of homology/threading models. With the present set of single-cysteine accessibilities, the models based on GlpT and PepTSt are most promising for further refinement. PMID:24205192

  16. Electric field-controlled water permeation coupled to ion transport through a nanopore

    NASA Astrophysics Data System (ADS)

    Dzubiella, J.; Allen, R. J.; Hansen, J.-P.

    2004-03-01

    We report molecular dynamics simulations of a generic hydrophobic nanopore connecting two reservoirs which are initially at different Na+ concentrations, as in a biological cell. The nanopore is impermeable to water under equilibrium conditions, but the strong electric field caused by the ionic concentration gradient drives water molecules in. The density and structure of water in the pore are highly field dependent. In a typical simulation run, we observe a succession of cation passages through the pore, characterized by approximately bulk mobility. These ion passages reduce the electric field, until the pore empties of water and closes to further ion transport, thus providing a possible mechanism for biological ion channel gating.

  17. Coupled full core neutron transport/CFD simulations of pressurized water reactors

    SciTech Connect

    Kochunas, B.; Stimpson, S.; Collins, B.; Downar, T.; Brewster, R.; Baglietto, E.; Yan, J.

    2012-07-01

    Recently as part of the CASL project, a capability to perform 3D whole-core coupled neutron transport and computational fluid dynamics (CFD) calculations was demonstrated. This work uses the 2D/1D transport code DeCART and the commercial CFD code STAR-CCM+. It builds on previous CASL work demonstrating coupling for smaller spatial domains. The coupling methodology is described along with the problem simulated and results are presented for fresh hot full power conditions. An additional comparison is made to an equivalent model that uses lower order T/H feedback to assess the importance and cost of high fidelity feedback to the neutronics problem. A simulation of a quarter core Combustion Engineering (CE) PWR core was performed with the coupled codes using a Fixed Point Gauss-Seidel iteration technique. The total approximate calculation requirements are nearly 10,000 CPU hours and 1 TB of memory. The problem took 6 coupled iterations to converge. The CFD coupled model and low order T/H feedback model compared well for global solution parameters, with a difference in the critical boron concentration and average outlet temperature of 14 ppm B and 0.94 deg. C, respectively. Differences in the power distribution were more significant with maximum relative differences in the core-wide pin peaking factor (Fq) of 5.37% and average relative differences in flat flux region power of 11.54%. Future work will focus on analyzing problems more relevant to CASL using models with less approximations. (authors)

  18. Magnetically Coupled Transport System

    SciTech Connect

    Breshears, S.A.

    1999-01-26

    Throughout the DOE complex, materials are routinely transported within glovebox processing lines. Cylindrical product cans, crucibles, sample containers, tools, and waste products are all examples of items that are moved between equipment stations during glovebox operations. Traditional transport methods have included manual handling using tongs, chain and belt conveyors, carts with pull wires, and overhead hoists on monorails. These methods rely on hands-on operations and/or utilize high maintenance equipment located inside the gloveboxes, which can lead to high radiation exposure to personnel and can generate large amounts of radioactive waste. One innovative approach incorporates linear induction motors (LIMs) so that high maintenance items are located outside the gloveboxes, but LIMs produce heat, do not move smoothly over a wide range of velocities, and are not locked in position at zero velocity. Savannah River Technology Center (SRTC) engineers have developed and demonstrated a concept for a magnetically coupled transport system to transfer material within process lines and from line to line. This automated system significantly reduces hands-on operations. Linear actuators and lead screws provide smooth horizontal and vertical movement. Rare earth magnetic coupling technology allows the majority of the equipment to be located outside the glovebox, simplifying maintenance and minimizing radioactive waste.

  19. Coupled modeling of water transport and air-droplet interaction in the electrode of a proton exchange membrane fuel cell

    NASA Astrophysics Data System (ADS)

    Esposito, Angelo; Pianese, Cesare; Guezennec, Yann G.

    In this work, an accurate and computationally fast model for liquid water transport within a proton exchange membrane fuel cell (PEMFC) electrode is developed by lumping the space-dependence of the relevant variables. Capillarity is considered as the main transport mechanism within the gas diffusion layer (GDL). The novelty of the model lies in the coupled simulation of the water transport at the interface between gas diffusion layer and gas flow channel (GFC). This is achieved with a phenomenological description of the process that allows its simulation with relative simplicity. Moreover, a detailed two-dimensional visualization of such interface is achieved via geometric simulation of water droplets formation, growth, coalescence and detachment on the surface of the GDL. The model is useful for optimization analysis oriented to both PEMFC design and balance of plant. Furthermore, the accomplishment of reduced computational time and good accuracy makes the model suitable for control strategy implementation to ensure PEM fuel cells operation within optimal electrode water content.

  20. A bimodel climate response controlled by water vapor transport in a coupled ocean-atmosphere box model

    NASA Astrophysics Data System (ADS)

    Birchfield, G. Edward; Wang, Huaxiao; Wyant, Matthew

    1990-06-01

    The importance of the hydrological cycle as a controlling factor on the magnitude of the thermohaline circulation is illustrated in a simple one-hemisphere coupled ocean-atmosphere box model. The ocean model includes differential surface heating and evaporation, horizontal and vertical exchange of heat and salt between boxes, and a simply parameterized thermohaline circulation. Surface heat fluxes and evaporation are determined through the coupled ocean and energy balance atmosphere models which treat fluxes of long- and short-wave radiation and sensible and latent heat. Two parameters represent the most important physics: µ controls the magnitude of the thermohaline circulation; ɛ controls the strength of the hydrological cycle. For fixed µ, two regimes are distinguished. One, associated with small values of ɛ, has weak latitudinal water vapor transport in the atmosphere, a strong thermohaline circulation with sinking in high latitudes, upwelling in low latitudes, and strong latitudinal transport of heat by the ocean. The second regime for larger ɛ is characterized by strong latitudinal water vapor transport which, by reducing the surface salinity in high latitudes, shuts down the thermohaline circulation and has reduced ocean and net latitudinal heat transport. The bimodal response in the model is shown to be the consequence of a shift in the mechanism of supply of salt to the high-latitude surface ocean from predominantly thermohaline transport, a nonlinear process, to or from predominantly eddy mixing transport, a linear process. In climatological terms, the bimodality represents two distinct climate regimes, one with an active ocean meridional circulation and relatively warm ocean and atmosphere temperatures in high latitudes, and the other with a less active ocean circulation and an increased latitudinal temperature gradient in atmosphere and ocean. The regime with an active thermohaline circulation tends to be less stable than the other, exhibiting over

  1. Simulating Water and Nutrient Transport in an Urbanizing Agricultural Watershed with Lake-Level Regulation Using a Coupled Modeling Approach

    NASA Astrophysics Data System (ADS)

    Chen, X.; Motew, M.; Booth, E.; Carpenter, S. R.; Steven, L. I.; Kucharik, C. J.

    2015-12-01

    The Yahara River basin located in southern Wisconsin is a watershed with long-term eutrophication issues due largely to a thriving dairy industry upstream of the Madison chain of lakes. Steady phosphorus loading from manure production and other sources has contributed directly to blue-green algae blooms and poor water quality in the lakes and river system, and is often viewed as the most important environmental problem to solve in the region. In this study, the daily streamflow and monthly nitrogen (N), sediment and phosphorus (P) transport, as well as the lake levels in the Yahara River basin are simulated using a physically-based hydrologic routing model: the Terrestrial Hydrology Model with Biogeochemistry (THMB). The original model includes representation of water and nitrogen transport but as part of this work, P transport and lake regulation are added into the model. The modified THMB model is coupled with the AgroIBIS-VSF agroecosystem model to represent dynamic coupling between agricultural management in the watershed, and N, P, and sediment transport to lakes and streams. We will present model calibration and validation results that demonstrate the hydrologic routing capability of THMB for a spatial resolution of 220m, several orders of magnitude finer than attempted previously with THMB. The calibrated modeling system is being used to simulate the impacts of climate change and land management on biogeochemistry in the Yahara watershed under four different pathways of change to the year 2070 (Yahara 2070). These scenarios are Abandonment and Renewal, Accelerated Innovation, Connected Communities and Nested Watersheds, which are used to better understand how future decision-making influences the provisioning and trade-offs of ecosystem services.

  2. Coupling of water and carbon transport in trees: -Could water limitations of phloem transport speed up carbon starvation and tree mortality?

    NASA Astrophysics Data System (ADS)

    Sevanto, S.; McDowell, N. G.; Dickman, L. T.; Pangle, R.; Pockman, W.

    2011-12-01

    Understanding the mechanisms behind tree mortality is increasingly important because climate change appears to be increasing drought severity and duration worldwide, with concomitant increases in mortality. Carbon starvation is one of the mechanisms suggested to be responsible for mortality, especially for species that close stomata at low xylem water tensions. Such plants would be under negative carbon balance during drought. Carbohydrate transport in plants relies on the availability of apoplastic water and therefore, shortage of water could lead to inability to distribute sugars and speed up carbon starvation even if carbohydrate reserves existed. To test these ideas we conducted a greenhouse study where pinon pine (Pinus edulis) trees were killed using two treatments: water limitation (complete drought) and carbon limitation (complete darkness). We collected tissue samples for non-structural carbohydrate content analysis weekly and monitored changes in xylem and phloem water potentials using stem diameter variation measurements. To follow changes in the physiological status of the trees we measured shoot gas exchange, leaf water potential and sap flow rate. Carbon-limited trees continued respiring at relatively high rates and maintained both xylem and phloem transport despite rapidly diminishing carbohydrate pools. Water-limited trees, on the other hand, exhibited reduced respiration and xylem and phloem transport rates as soon as drought inhibited stomatal opening; even before any significant drop in leaf water potential. This suggests that respirationmetabolic rate is strongly controlled by soil water availability, and instead of speeding up mortality, reduced carbohydrate transport and utilization rate may be a valuable strategy to enhance tree survival during long droughts.

  3. The Coupled Mars Dust and Water Cycles: Understanding How Clouds Affect the Vertical Distribution and Meridional Transport of Dust and Water.

    NASA Technical Reports Server (NTRS)

    Kahre, M. A.

    2015-01-01

    The dust and water cycles are crucial to the current Martian climate, and they are coupled through cloud formation. Dust strongly impacts the thermal structure of the atmosphere and thus greatly affects atmospheric circulation, while clouds provide radiative forcing and control the hemispheric exchange of water through the modification of the vertical distributions of water and dust. Recent improvements in the quality and sophistication of both observations and climate models allow for a more comprehensive understanding of how the interaction between the dust and water cycles (through cloud formation) affects the dust and water cycles individually. We focus here on the effects of clouds on the vertical distribution of dust and water, and how those vertical distributions control the net meridional transport of water. For this study, we utilize observations of temperature, dust and water ice from the Mars Climate Sounder (MCS) on the Mars Reconnaissance Orbiter (MRO) combined with the NASA ARC Mars Global Climate Model (MGCM). We demonstrate that the magnitude and nature of the net meridional transport of water between the northern and southern hemispheres during NH summer is sensitive to the vertical structure of the simulated aphelion cloud belt. We further examine how clouds influence the atmospheric thermal structure and thus the vertical structure of the cloud belt. Our goal is to identify and understand the importance of radiative/dynamic feedbacks due to the physical processes involved with cloud formation and evolution on the current climate of Mars.

  4. Coupled inverse modeling of vadose zone water, heat, and solute transport: Calibration constraints, parameter nonuniqueness, and predictive uncertainty

    USGS Publications Warehouse

    Friedel, M.J.

    2005-01-01

    In this study, an inverse methodology is presented and used to evaluate the effect that calibration of a synthetic artificial recharge model, constrained by different combinations of measurements (pressure head, temperature, and concentration), has on estimated vadose zone model parameter-value nonuniqueness and predictive water, heat, and solute transport uncertainty. Several findings are arrived at following model calibration and predictive analysis. First, composite scaled sensitivities revealed that all calibration measurement combinations contributed to the estimation of 30 water, heat, and solute transport parameters by inverting a set of vadose zone transport equations that were coupled explicitly through dependent variables and implicitly through parameters and fluid properties. Second, despite excellent model quality and perfect match of simulated-to-measured dependent field variables, the limitations in information content of field measurements used to constrain the calibration process promoted correlation among parameters; correlation among parameters promoted parameter nonuniqueness; and parameter nonuniqueness promoted predictive uncertainty. Consequently, simulations by transport models calibrated against field information represent a single realization associated with some quantifiable range of predictive uncertainty. Third, a primary reduction in uncertainty was achieved by increasing the number of calibration-constraint measurements, but reductions in uncertainty appeared restricted implying a practical limit to parameterization detail. Fourth, for a fixed number of measurements, a less prominent reduction in the range of predictive uncertainty could be realized through selective use of measurement types to constrain the calibration process. Therefore, field measurement types used to constrain the calibration process should be matched to target predictions. Fifth, because correlation among parameters contributes to predictive uncertainty, it may be

  5. Coupled mode transport theory for sound transmission through an ocean with random sound speed perturbations: coherence in deep water environments.

    PubMed

    Colosi, John A; Chandrayadula, Tarun K; Voronovich, Alexander G; Ostashev, Vladimir E

    2013-10-01

    Second moments of mode amplitudes at fixed frequency as a function of separations in mode number, time, and horizontal distance are investigated using mode-based transport equations and Monte Carlo simulation. These second moments are used to study full-field acoustic coherence, including depth separations. Calculations for low-order modes between 50 and 250 Hz are presented using a deep-water Philippine Sea environment. Comparisons between Monte Carlo simulations and transport theory for time and depth coherence at frequencies of 75 and 250 Hz and for ranges up to 500 km show good agreement. The theory is used to examine the accuracy of the adiabatic and quadratic lag approximations, and the range and frequency scaling of coherence. It is found that while temporal coherence has a dominant adiabatic component, horizontal and vertical coherence have more equal contributions from coupling and adiabatic effects. In addition, the quadratic lag approximation is shown to be most accurate at higher frequencies and longer ranges. Last the range and frequency scalings are found to be sensitive to the functional form of the exponential decay of coherence with lag, but temporal and horizontal coherence show scalings that fall quite close to the well-known inverse frequency and inverse square root range laws. PMID:24116510

  6. Water vapour transport in the tropical tropopause region in coupled Chemistry-Climate Models and ERA-40 reanalysis data

    NASA Astrophysics Data System (ADS)

    Kremser, Stefanie; Wohltmann, Ingo; Rex, Markus; Langematz, Ulrike; Dameris, Martin; Kunze, Markus

    2009-04-01

    In this study backward trajectories from the tropical lower stratosphere were calculated for the Northern Hemisphere (NH) winters 1995-1996, 1997-1998 (El Niño) and 1998-1999 (La Niña) and summers 1996, 1997 and 1999 using both ERA-40 reanalysis data of the European Centre for Medium-Range Weather Forecast (ECMWF) and coupled Chemistry-Climate Model (CCM) data. The calculated trajectories were analysed to determine the distribution of points where individual air masses encounter the minimum temperature and thus minimum water vapour mixing ratio during their ascent through the tropical tropopause layer (TTL) into the stratosphere. The geographical distribution of these dehydration points and the local conditions there determine the overall water vapour entry into the stratosphere. Results of two CCMs are presented: the ECHAM4.L39(DLR)/CHEM (hereafter: E39/C) from the German Aerospace Center (DLR) and the Freie Universität Berlin Climate Middle Atmosphere Model with interactive chemistry (hereafter: FUB-CMAM-CHEM). In the FUB-CMAM-CHEM model the minimum temperatures are overestimated by about 9 K in NH winter and about 3 K in NH summer, resulting in too high water vapour entry values compared to ERA-40. However, the geographical distribution of dehydration points is fairly similar to ERA-40 for NH winter 1995-1996 and 1998-1999. The distribution of dehydration points in the boreal summer 1996 suggests an influence of the Indian monsoon upon the water vapour transport. The E39/C model displays a temperature bias of about +5 K. Hence, the minimum water vapour mixing ratios are higher relative to ERA-40. The geographical distribution of dehydration points is fairly well in NH winter 1995-1996 and 1997-1998 with respect to ERA-40. The distribution is not reproduced for the NH winter 1998-1999 (La Niña event) compared to ERA-40. There is an excessive water vapour flux through warm regions e.g. Africa in the NH winter and summer. The possible influence of the Indian

  7. Coupled Fluid Energy Solute Transport

    Energy Science and Technology Software Center (ESTSC)

    1992-02-13

    CFEST is a Coupled Fluid, Energy, and Solute Transport code for the study of a multilayered, nonisothermal ground-water system. It can model discontinuous as well as continuous layers, time-dependent and constant source/sinks, and transient as well as steady-state flow. The finite element method is used for analyzing isothermal and nonisothermal events in a confined aquifer system. Only single-phase Darcian flow is considered. In the Cartesian coordinate system, flow in a horizontal plane, in a verticalmore » plane, or in a fully three-dimensional region can be simulated. An option also exists for the axisymmetric analysis of a vertical cross section. The code employs bilinear quadrilateral elements in all two dimensional analyses and trilinear quadrilateral solid elements in three dimensional simulations. The CFEST finite element formulation can approximate discontinuities, major breaks in slope or thickness, and fault zones in individual hydrogeologic units. The code accounts for heterogeneity in aquifer permeability and porosity and accommodates anisotropy (collinear with the Cartesian coordinates). The variation in the hydraulic properties is described on a layer-by-layer basis for the different hydrogeologic units. Initial conditions can be prescribed hydraulic head or pressure, temperature, or concentration. CFEST can be used to support site, repository, and waste package subsystem assessments. Some specific applications are regional hydrologic characterization; simulation of coupled transport of fluid, heat, and salinity in the repository region; consequence assessment due to natural disruption or human intrusion scenarios in the repository region; flow paths and travel-time estimates for transport of radionuclides; and interpretation of well and tracer tests.« less

  8. Micro-Scale Simulation of Water Transport in Porous Media Coupled with Phase Change

    NASA Astrophysics Data System (ADS)

    Etemad, Sahand; Behrang, Arash; Mohammadmoradi, Peyman; Hejazi, Hossein; Kantzas, Apostolos

    2015-11-01

    Sub-pore scale modeling of flow in porous media is gaining momentum. The concept of Digital Core Analysis deals with measurements of virtual core and the purpose of such modeling is to replace conventional and special core analysis when the latter are not feasible. Single phase flow phenomena are nowadays fairly easy to model given a good representation of the porous medium by its digital counterpart. Two phase flow modeling has proven more difficult to represent due to the complexities introduced by the insert of interfaces. These problems were at least partially overcome by the implementation of the ``Volume of Fluid'' method. OpenFOAM is the CFD package of choice in this work. The aforementioned approach is currently being extended in the modeling of phase change within a porous medium. Surface roughness is introduced by the incorporation of wedges of variable density and amplitude on the pore surface. A further introduced complication is that the individual grains are of different mineralogy and thus of different wettability. The problem of steam condensation in such media is addressed. It is observed that steam condenses first in the smallest of wedges, which act a nucleation sites. Water spreads on water-wet surfaces. Snap-off is observed in several cases leading to temporary trapping of vapor. Grid size effects are also addressed. The application of this modeling effort is the condensation of steam in thermal recovery methods.

  9. Modeling coupled water flow, solute transport and geochemical reactions affecting heavy metal migration in a podzol soil

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Many or most subsurface pollution problems at the field scale involve such simultaneous processes as water flow, multicomponent solute transport, heat transport and biogeochemical processes and reactions. Process-based models that integrate these various processes can be valuable tools for investiga...

  10. Interpretation of MSL REMS data using 1D coupled heat and water vapor transport model of Mars subsurface

    NASA Astrophysics Data System (ADS)

    Gloesener, Elodie; Karatekin, Özgür; Dehant, Véronique

    2016-04-01

    MSL Rover Environmental Monitoring Station (REMS) performed high-resolution measurements of temperature and relative humidity during more than one Martian year. In this work, a 1D subsurface model is used to study water vapor exchange between the atmosphere and the subsurface at Gale crater using REMS data. The thermal model used includes several layers of varying thickness with depth and properties that can be changed to correspond to those of Martian rocks at locations studied. It also includes the transport of water vapor through porous Martian regolith and the different phases considered are vapor, ice and adsorbed H2O. The total mass flux is given by the sum of diffusive and advective transport. The role of an adsorbing regolith on water transfer as well as the range of parameters with significant effect on water transport in Martian conditions are investigated. In addition, kinetics of the adsorption process is considered to examine its influence on the water vapor exchange between the subsurface and the atmosphere.

  11. Cation-coupled bicarbonate transporters.

    PubMed

    Aalkjaer, Christian; Boedtkjer, Ebbe; Choi, Inyeong; Lee, Soojung

    2014-10-01

    Cation-coupled HCO3(-) transport was initially identified in the mid-1970s when pioneering studies showed that acid extrusion from cells is stimulated by CO2/HCO3(-) and associated with Na(+) and Cl(-) movement. The first Na(+)-coupled bicarbonate transporter (NCBT) was expression-cloned in the late 1990s. There are currently five mammalian NCBTs in the SLC4-family: the electrogenic Na,HCO3-cotransporters NBCe1 and NBCe2 (SLC4A4 and SLC4A5 gene products); the electroneutral Na,HCO3-cotransporter NBCn1 (SLC4A7 gene product); the Na(+)-driven Cl,HCO3-exchanger NDCBE (SLC4A8 gene product); and NBCn2/NCBE (SLC4A10 gene product), which has been characterized as an electroneutral Na,HCO3-cotransporter or a Na(+)-driven Cl,HCO3-exchanger. Despite the similarity in amino acid sequence and predicted structure among the NCBTs of the SLC4-family, they exhibit distinct differences in ion dependency, transport function, pharmacological properties, and interactions with other proteins. In epithelia, NCBTs are involved in transcellular movement of acid-base equivalents and intracellular pH control. In nonepithelial tissues, NCBTs contribute to intracellular pH regulation; and hence, they are crucial for diverse tissue functions including neuronal discharge, sensory neuron development, performance of the heart, and vascular tone regulation. The function and expression levels of the NCBTs are generally sensitive to intracellular and systemic pH. Animal models have revealed pathophysiological roles of the transporters in disease states including metabolic acidosis, hypertension, visual defects, and epileptic seizures. Studies are being conducted to understand the physiological consequences of genetic polymorphisms in the SLC4-members, which are associated with cancer, hypertension, and drug addiction. Here, we describe the current knowledge regarding the function, structure, and regulation of the mammalian cation-coupled HCO3(-) transporters of the SLC4-family. PMID:25428855

  12. Cation-Coupled Bicarbonate Transporters

    PubMed Central

    Aalkjaer, Christian; Boedtkjer, Ebbe; Choi, Inyeong; Lee, Soojung

    2016-01-01

    Cation-coupled HCO3− transport was initially identified in the mid-1970s when pioneering studies showed that acid extrusion from cells is stimulated by CO2/HCO3− and associated with Na+ and Cl− movement. The first Na+-coupled bicarbonate transporter (NCBT) was expression-cloned in the late 1990s. There are currently five mammalian NCBTs in the SLC4-family: the electrogenic Na,HCO3-cotransporters NBCe1 and NBCe2 (SLC4A4 and SLC4A5 gene products); the electroneutral Na,HCO3-cotransporter NBCn1 (SLC4A7 gene product); the Na+-driven Cl,HCO3-exchanger NDCBE (SLC4A8 gene product); and NBCn2/NCBE (SLC4A10 gene product), which has been characterized as an electroneutral Na,HCO3-cotransporter or a Na+-driven Cl,HCO3-exchanger. Despite the similarity in amino acid sequence and predicted structure among the NCBTs of the SLC4-family, they exhibit distinct differences in ion dependency, transport function, pharmacological properties, and interactions with other proteins. In epithelia, NCBTs are involved in transcellular movement of acid-base equivalents and intracellular pH control. In nonepithelial tissues, NCBTs contribute to intracellular pH regulation; and hence, they are crucial for diverse tissue functions including neuronal discharge, sensory neuron development, performance of the heart, and vascular tone regulation. The function and expression levels of the NCBTs are generally sensitive to intracellular and systemic pH. Animal models have revealed pathophysiological roles of the transporters in disease states including metabolic acidosis, hypertension, visual defects, and epileptic seizures. Studies are being conducted to understand the physiological consequences of genetic polymorphisms in the SLC4-members, which are associated with cancer, hypertension, and drug addiction. Here, we describe the current knowledge regarding the function, structure, and regulation of the mammalian cation-coupled HCO3− transporters of the SLC4-family. PMID:25428855

  13. Coupled Neutron Transport for HZETRN

    NASA Technical Reports Server (NTRS)

    Slaba, Tony C.; Blattnig, Steve R.

    2009-01-01

    Exposure estimates inside space vehicles, surface habitats, and high altitude aircrafts exposed to space radiation are highly influenced by secondary neutron production. The deterministic transport code HZETRN has been identified as a reliable and efficient tool for such studies, but improvements to the underlying transport models and numerical methods are still necessary. In this paper, the forward-backward (FB) and directionally coupled forward-backward (DC) neutron transport models are derived, numerical methods for the FB model are reviewed, and a computationally efficient numerical solution is presented for the DC model. Both models are compared to the Monte Carlo codes HETC-HEDS, FLUKA, and MCNPX, and the DC model is shown to agree closely with the Monte Carlo results. Finally, it is found in the development of either model that the decoupling of low energy neutrons from the light particle transport procedure adversely affects low energy light ion fluence spectra and exposure quantities. A first order correction is presented to resolve the problem, and it is shown to be both accurate and efficient.

  14. Documentation and verification of VST2D; a model for simulating transient, Variably Saturated, coupled water-heat-solute Transport in heterogeneous, anisotropic 2-Dimensional, ground-water systems with variable fluid density

    USGS Publications Warehouse

    Friedel, Michael J.

    2001-01-01

    This report describes a model for simulating transient, Variably Saturated, coupled water-heatsolute Transport in heterogeneous, anisotropic, 2-Dimensional, ground-water systems with variable fluid density (VST2D). VST2D was developed to help understand the effects of natural and anthropogenic factors on quantity and quality of variably saturated ground-water systems. The model solves simultaneously for one or more dependent variables (pressure, temperature, and concentration) at nodes in a horizontal or vertical mesh using a quasi-linearized general minimum residual method. This approach enhances computational speed beyond the speed of a sequential approach. Heterogeneous and anisotropic conditions are implemented locally using individual element property descriptions. This implementation allows local principal directions to differ among elements and from the global solution domain coordinates. Boundary conditions can include time-varying pressure head (or moisture content), heat, and/or concentration; fluxes distributed along domain boundaries and/or at internal node points; and/or convective moisture, heat, and solute fluxes along the domain boundaries; and/or unit hydraulic gradient along domain boundaries. Other model features include temperature and concentration dependent density (liquid and vapor) and viscosity, sorption and/or decay of a solute, and capability to determine moisture content beyond residual to zero. These features are described in the documentation together with development of the governing equations, application of the finite-element formulation (using the Galerkin approach), solution procedure, mass and energy balance considerations, input requirements, and output options. The VST2D model was verified, and results included solutions for problems of water transport under isohaline and isothermal conditions, heat transport under isobaric and isohaline conditions, solute transport under isobaric and isothermal conditions, and coupled water

  15. Mammalian ion-coupled solute transporters.

    PubMed Central

    Hediger, M A; Kanai, Y; You, G; Nussberger, S

    1995-01-01

    Active transport of solutes into and out of cells proceeds via specialized transporters that utilize diverse energy-coupling mechanisms. Ion-coupled transporters link uphill solute transport to downhill electrochemical ion gradients. In mammals, these transporters are coupled to the co-transport of H+, Na+, Cl- and/or to the countertransport of K+ or OH-. By contrast, ATP-dependent transporters are directly energized by the hydrolysis of ATP. The development of expression cloning approaches to select cDNA clones solely based on their capacity to induce transport function in Xenopus oocytes has led to the cloning of several ion-coupled transporter cDNAs and revealed new insights into structural designs, energy-coupling mechanisms and physiological relevance of the transporter proteins. Different types of mammalian ion-coupled transporters are illustrated by discussing transporters isolated in our own laboratory such as the Na+/glucose co-transporters SGLT1 and SGLT2, the H(+)-coupled oligopeptide transporters PepT1 and PepT2, and the Na(+)- and K(+)-dependent neuronal and epithelial high affinity glutamate transporter EAAC1. Most mammalian ion-coupled organic solute transporters studied so far can be grouped into the following transporter families: (1) the predominantly Na(+)-coupled transporter family which includes the Na+/glucose co-transporters SGLT1, SGLT2, SGLT3 (SAAT-pSGLT2) and the inositol transporter SMIT, (2) the Na(+)- and Cl(-)-coupled transporter family which includes the neurotransmitter transporters of gamma-amino-butyric acid (GABA), serotonin, dopamine, norepinephrine, glycine and proline as well as transporters of beta-amino acids, (3) the Na(+)- and K(+)-dependent glutamate/neurotransmitter family which includes the high affinity glutamate transporters EAAC1, GLT-1, GLAST, EAAT4 and the neutral amino acid transporters ASCT1 and SATT1 reminiscent of system ASC and (4) the H(+)-coupled oligopeptide transporter family which includes the intestinal H

  16. Coupled transport in rotor models

    NASA Astrophysics Data System (ADS)

    Iubini, S.; Lepri, S.; Livi, R.; Politi, A.

    2016-08-01

    Steady nonequilibrium states are investigated in a one-dimensional setup in the presence of two thermodynamic currents. Two paradigmatic nonlinear oscillators models are investigated: an XY chain and the discrete nonlinear Schrödinger equation. Their distinctive feature is that the relevant variable is an angle in both cases. We point out the importance of clearly distinguishing between energy and heat flux. In fact, even in the presence of a vanishing Seebeck coefficient, a coupling between (angular) momentum and energy arises, mediated by the unavoidable presence of a coherent energy flux. Such a contribution is the result of the ‘advection’ induced by the position-dependent angular velocity. As a result, in the XY model, the knowledge of the two diagonal elements of the Onsager matrix suffices to reconstruct its transport properties. The analysis of the nonequilibrium steady states finally allows to strengthen the connection between the two models.

  17. Moss hair water transport

    NASA Astrophysics Data System (ADS)

    Pan, Zhao; Wu, Nan; Hurd, Randy; Thomson, Scott; Pitt, William; Truscott, Tadd

    2013-11-01

    We present an investigation of water transportation on a moss (Syntrichia caninervis) indigenous to temperate deserts. The moss typically appears to be in a dry, brown state, but is rehydrated by water during the wet season, making the desert green. Small hairs (500-2000 μm in length, and 40 μm in diameter, d) growing out from the tip of the moss leaves transport water back to the leaves. Through high speed observations and mathematical modeling it appears that this transportation is driven by two different mechanisms. 1) Droplet transport is achieved in three ways: i) A large (10d) droplet attached between two intersecting fibers will move toward the bases of the leaves by the changing angle between the two hairs. ii) The shape of the moss hair is conical, thicker at the base, producing a gradient that moves fluid (5d) toward the leaf similar to cactus spines. iii) We also observe that in some cases a Plateau-Rayleigh instability trigger a series of droplets moving toward the base. 2) Micro-grooves on the moss hair transport a film of water along the moss hair when larger droplets are not available. These various water transportation strategies combine to help the moss to survive in the desert and provide valuable insight.

  18. COUPLED TRANSPORT SYSTEMS FOR CONTROL OF HEAVY METAL POLLUTANTS

    EPA Science Inventory

    This report describes a process for separating and concentrating heavy metals from electroplating rinse waters. Metal ions can be 'chemically pumped' across a coupled transport membrane against large concentration gradients by allowing the counterflow of a coupled ion such as hyd...

  19. Thermodynamically coupled mass transport processes in a saturated clay

    SciTech Connect

    Carnahan, C.L.

    1984-11-01

    Gradients of temperature, pressure, and fluid composition in saturated clays give rise to coupled transport processes (thermal and chemical osmosis, thermal diffusion, ultrafiltration) in addition to the direct processes (advection and diffusion). One-dimensional transport of water and a solute in a saturated clay subjected to mild gradients of temperature and pressure was simulated numerically. When full coupling was accounted for, volume flux (specific discharge) was controlled by thermal osmosis and chemical osmosis. The two coupled fluxes were oppositely directed, producing a point of stagnation within the clay column. Solute flows were dominated by diffusion, chemical osmosis, and thermal osmosis. Chemical osmosis produced a significant flux of solute directed against the gradient of solute concentration; this effect reduced solute concentrations relative to the case without coupling. Predictions of mass transport in clays at nuclear waste repositories could be significantly in error if coupled transport processes are not accounted for. 14 references, 8 figures, 1 table.

  20. Fuel cell water transport

    DOEpatents

    Vanderborgh, Nicholas E.; Hedstrom, James C.

    1990-01-01

    The moisture content and temperature of hydrogen and oxygen gases is regulated throughout traverse of the gases in a fuel cell incorporating a solid polymer membrane. At least one of the gases traverses a first flow field adjacent the solid polymer membrane, where chemical reactions occur to generate an electrical current. A second flow field is located sequential with the first flow field and incorporates a membrane for effective water transport. A control fluid is then circulated adjacent the second membrane on the face opposite the fuel cell gas wherein moisture is either transported from the control fluid to humidify a fuel gas, e.g., hydrogen, or to the control fluid to prevent excess water buildup in the oxidizer gas, e.g., oxygen. Evaporation of water into the control gas and the control gas temperature act to control the fuel cell gas temperatures throughout the traverse of the fuel cell by the gases.

  1. Coupled transport processes in semipermeable media

    SciTech Connect

    Carnahan, C.L.; Jacobsen, J.S.

    1990-04-01

    The thermodynamics of irreversible processes (TTIP) is used to derive governing equations and phenomenological equations for transport processes and chemical reactions in water-saturated semipermeable media. TTIP is based on three fundamental postulates. The first postulate, the assumption of local equilibrium, allows the formulation of balance equations for entropy. These equations are the bases for the derivation of governing equations for the thermodynamic variables, temperature, pressure, and composition. The governing equations involve vector fluxes of heat and mass and scalar rates of chemical reactions; in accordance with the second postulate of TTIP, these fluxes and rates are related, respectively, to all scalar driving forces (gradients of thermodynamic variables) acting within the system. The third postulate of TTIP states equality (the Onsager reciprocal relations) between certain of the phenomenological coefficients relating forces and fluxes. The description by TTIP of a system undergoing irreversible processes allows consideration of coupled transport processes such as thermal osmosis, chemical osmosis, and ultrafiltration. The coupled processes can make significant contributions to flows of mass and energy in slightly permeable, permselective geological materials such as clays and shales.

  2. Water intensity of transportation.

    PubMed

    King, Carey W; Webber, Michael E

    2008-11-01

    As the need for alternative transportation fuels increases, it is important to understand the many effects of introducing fuels based upon feedstocks other than petroleum. Water intensity in "gallons of water per mile traveled" is one method to measure these effects on the consumer level. In this paper we investigate the water intensity for light duty vehicle (LDV) travel using selected fuels based upon petroleum, natural gas, unconventional fossil fuels, hydrogen, electricity, and two biofuels (ethanol from corn and biodiesel from soy). Fuels more directly derived from fossil fuels are less water intensive than those derived either indirectly from fossil fuels (e.g., through electricity generation) or directly from biomass. The lowest water consumptive (<0.15 gal H20/mile) and withdrawal (<1 gal H2O/mile) rates are for LDVs using conventional petroleum-based gasoline and diesel, nonirrigated biofuels, hydrogen derived from methane or electrolysis via nonthermal renewable electricity, and electricity derived from nonthermal renewable sources. LDVs running on electricity and hydrogen derived from the aggregate U.S. grid (heavily based upon fossil fuel and nuclear steam-electric power generation) withdraw 5-20 times and consume nearly 2-5 times more water than by using petroleum gasoline. The water intensities (gal H20/mile) of LDVs operating on biofuels derived from crops irrigated in the United States at average rates is 28 and 36 for corn ethanol (E85) for consumption and withdrawal, respectively. For soy-derived biodiesel the average consumption and withdrawal rates are 8 and 10 gal H2O/mile. PMID:19031873

  3. Coupled experimetal and theoretical study of photon absorption and charge transport in BiVO4 photoanodes for solar water splitting

    NASA Astrophysics Data System (ADS)

    Ping, Yuan; Kim, Tae Woo; Galli, Giulia; Choi, Kyoung-Shin

    Bismuth vanadate (BiVO4) has been identified as one of the most promising photoanode materials for water-splitting photoelectrochemical cells. The major limitations of BiVO4 are its relatively wide bandgap (2.5 eV) and low electron mobility (0.2 cm-2V-2S-1), which limit its solar-to-hydrogen conversion efficiency. In this talk we will present the results of a coupled experimental and ab initio theoretical study showing that nitrogen doping together with extra oxygen vacancies lead to both a reduction of BiVO4 band gap and to an increase of the majority carrier density and mobility. In turn these improvements lead to the applied bias photon-to-current efficiency over 2%, a record for a single oxide photon absorber, to the best of our knowledge. The ``codoping'' method adopted in our work could also be applied to simultaneously enhance photon absorption and charge transport in other oxides, providing new possibilities for photocatalytic materials. This work was supported by the National Science Foundation (NSF) under the NSF Center (CHE-1305124). Computer time was provided by NERSC.

  4. Coupled electron-photon radiation transport

    SciTech Connect

    Lorence, L.; Kensek, R.P.; Valdez, G.D.; Drumm, C.R.; Fan, W.C.; Powell, J.L.

    2000-01-17

    Massively-parallel computers allow detailed 3D radiation transport simulations to be performed to analyze the response of complex systems to radiation. This has been recently been demonstrated with the coupled electron-photon Monte Carlo code, ITS. To enable such calculations, the combinatorial geometry capability of ITS was improved. For greater geometrical flexibility, a version of ITS is under development that can track particles in CAD geometries. Deterministic radiation transport codes that utilize an unstructured spatial mesh are also being devised. For electron transport, the authors are investigating second-order forms of the transport equations which, when discretized, yield symmetric positive definite matrices. A novel parallelization strategy, simultaneously solving for spatial and angular unknowns, has been applied to the even- and odd-parity forms of the transport equation on a 2D unstructured spatial mesh. Another second-order form, the self-adjoint angular flux transport equation, also shows promise for electron transport.

  5. Coupled transport processes in semipermeable media

    SciTech Connect

    Jacobsen, J.S.; Carnahan, C.L.

    1990-03-01

    The thermodynamics of irreversible processes leads to nonlinear governing equations for direct and coupled mass transport processes. Analytical solutions of linearized versions of these equations can be used to verify numerical solutions of the nonlinear equations under conditions such that nonlinear terms are relatively small. This report presents derivations of the analytical solutions for one-dimensional and axisymmetric geometries. 7 refs.

  6. Mixing and transport. [Water pollution

    SciTech Connect

    Roberts, P.J.W.

    1982-06-01

    The mixing and transport of water pollution is the subject of this literature review with 110 references. The environmental transport of pollutants is examined in streams, rivers, reservoirs, ponds, estuaries, salt marshes and coastal waters. The dynamics of fluid flow, and the physical properties of jets, plumes, and stratified fluids are discussed. (KRM)

  7. Coupled transport processes in semipermeable media

    SciTech Connect

    Jacobsen, J.S.; Carnahan, C.L.

    1990-04-01

    A numerical simulator has been developed to investigate the effects of coupled processes on heat and mass transport in semipermeable media. The governing equations on which the simulator is based were derived using the thermodynamics of irreversible processes. The equations are nonlinear and have been solved numerically using the n-dimensional Newton's method. As an example of an application, the numerical simulator has been used to investigate heat and solute transport in the vicinity of a heat source buried in a saturated clay-like medium, in part to study solute transport in bentonite packing material surrounding a nuclear waste canister. The coupled processes considered were thermal filtration, thermal osmosis, chemical osmosis and ultrafiltration. In the simulations, heat transport by coupled processes was negligible compared to heat conduction, but pressure and solute migration were affected. Solute migration was retarded relative to the uncoupled case when only chemical osmosis was considered. When both chemical osmosis and thermal osmosis were included, solute migration was enhanced. 18 refs., 20 figs.

  8. Students' Conceptions of Water Transport

    ERIC Educational Resources Information Center

    Rundgren, Carl-Johan; Rundgren, Shu-Nu Chang; Schonborn, Konrad J.

    2010-01-01

    Understanding diffusion of water into and out of the cell through osmosis is fundamental to the learning and teaching of biology. Although this process is thought of as occurring directly across the lipid bilayer, the majority of water transport is actually mediated by specialised transmembrane water-channels called aquaporins. This study…

  9. Plasma transport theory spanning weak to strong coupling

    SciTech Connect

    Daligault, Jérôme; Baalrud, Scott D.

    2015-06-29

    We describe some of the most striking characteristics of particle transport in strongly coupled plasmas across a wide range of Coulomb coupling strength. We then discuss the effective potential theory, which is an approximation that was recently developed to extend conventional weakly coupled plasma transport theory into the strongly coupled regime in a manner that is practical to evaluate efficiently.

  10. Water Transport in Yeasts.

    PubMed

    Sabir, Farzana; Prista, Catarina; Madeira, Ana; Moura, Teresa; Loureiro-Dias, Maria C; Soveral, Graça

    2016-01-01

    Water moves across membranes through the lipid bilayer and through aquaporins, in this case in a regulated manner. Aquaporins belong to the MIP superfamily and two subfamilies are represented in yeasts: orthodox aquaporins considered to be specific water channels and aquaglyceroporins (heterodox aquaporins). In Saccharomyces cerevisiae genome, four aquaporin isoforms were identified, two of which are genetically close to orthodox aquaporins (ScAqy1 and ScAqy2) and the other two are more closely related to the aquaglyceroporins (ScFps1 and ScAqy3). Advances in the establishment of water channels structure are reviewed in this chapter in relation with the mechanisms of selectivity, conductance and gating. Aquaporins are important for key aspects of yeast physiology. They have been shown to be involved in sporulation, rapid freeze-thaw tolerance, osmo-sensitivity, and modulation of cell surface properties and colony morphology, although the underlying exact mechanisms are still unknown. PMID:26721272

  11. High-resolution reactive transport: A coupled parallel hydrogeochemical model

    NASA Astrophysics Data System (ADS)

    Beisman, J. J.; Maxwell, R. M.; Steefel, C. I.; Sitchler, A.; Molins, S.

    2013-12-01

    Subsurface hydrogeochemical systems are an especially complex component of the terrestrial environment and play host to a multitude of interactions. Parameterizations of these interactions are perhaps the least understood component of terrestrial systems, presenting uncertainties in the predictive understanding of biogeochemical cycling and transport. Thorough knowledge of biogeochemical transport processes is critical to the quantification of carbon/nutrient fluxes in the subsurface, and to the development of effective contaminant remediation techniques. Here we present a coupled parallel hydrogeochemical model, ParCrunchFlow, as a tool to further our understanding of governing processes and interactions in natural hydrogeochemical systems. ParCrunchFlow is a coupling of the reactive transport simulator CrunchFlow with the hydrologic model ParFlow. CrunchFlow is a multicomponent reactive flow and transport code that can be used to simulate a range of important processes and environments, including reactive contaminant transport, chemical weathering, carbon sequestration, biogeochemical cycling, and water-rock interaction. ParFlow is a parallel, three-dimensional, variably-saturated, coupled surface-subsurface flow and transport code with the ability to simulate complex topography, geology, and heterogeneity. ParCrunchflow takes advantage of the efficient parallelism built into Parflow, allowing the numerical simulation of reactive transport processes in chemically and physically heterogeneous media at high spatial resolutions. This model provides an ability to further examine the interactions and feedbacks between biogeochemical systems and complex subsurface flow fields. In addition to the details of model construction, results will be presented that show floodplain nutrient cycling and the effects of heterogeneity on small-scale mixing reactions at the Department of Energy's Old Rifle Legacy site.

  12. A coupled energy transport and hydrological model for urban canopies

    NASA Astrophysics Data System (ADS)

    Wang, Z.; Bou-Zeid, E.; Smith, J. A.

    2011-12-01

    Urban land-atmosphere interaction has been attracting more research efforts in order to understand the complex physics of flow and mass and heat transport in urban surfaces and the lower urban atmosphere. In this work, we developed and implemented a new physically-based single-layer urban canopy model, coupling the surface exchange of energy and the subsurface transport of water/soil moisture. The new model incorporates sub-facet heterogeneity for each urban surface (roof, wall or ground). This better simulates the energy transport in urban canopy layers, especially over low-intensity built (suburban type) terrains that include a significant fraction of vegetated surfaces. We implemented detailed urban hydrological models for both natural terrains (bare soil and vegetation) and porous engineered materials with water-holding capacity (concrete, gravel, etc). The skill of the new scheme was tested against experimental data collected through a wireless sensor network deployed over the campus of Princeton University. The model performance was found to be robust and insensitive to changes in weather conditions or seasonal variability. Predictions of the volumetric soil water content were also in good agreement with field measurements, highlighting the model capability of capturing subsurface water transport for urban lawns. The new model was also applied to a case study assessing different strategies, i.e. white versus green roofs, in the mitigation of urban heat island effect.

  13. Transport zonation limits coupled nitrification-denitrification in permeable sediments.

    PubMed

    Kessler, Adam J; Glud, Ronnie N; Cardenas, M Bayani; Cook, Perran L M

    2013-01-01

    Measurement of biogeochemical processes in permeable sediments (including the hyporheic zone) is difficult because of complex multidimensional advective transport. This is especially the case for nitrogen cycling, which involves several coupled redox-sensitive reactions. To provide detailed insight into the coupling between ammonification, nitrification and denitrification in stationary sand ripples, we combined the diffusion equilibrium thin layer (DET) gel technique with a computational reactive transport biogeochemical model. The former approach provided high-resolution two-dimensional distributions of NO3(-) and (15)N-N2 gas. The measured two-dimensional profiles correlate with computational model simulations, showing a deep pool of N2 gas forming, and being advected to the surface below ripple peaks. Further isotope pairing calculations on these data indicate that coupled nitrification-denitrification is severely limited in permeable sediments because the flow and transport field limits interaction between oxic and anoxic pore water. The approach allowed for new detailed insight into subsurface denitrification zones in complex permeable sediments. PMID:24224741

  14. Influence of surfactants on unsaturated water flow and solute transport

    NASA Astrophysics Data System (ADS)

    Karagunduz, Ahmet; Young, Michael H.; Pennell, Kurt D.

    2015-04-01

    Surfactants can reduce soil water retention by changing the surface tension of water and the contact angle between the liquid and solid phases. As a result, water flow and solute transport in unsaturated soil may be altered in the presence of surfactants. In this study, the effects of a representative nonionic surfactant, Triton X-100, on coupled water flow and nonreactive solute transport during unsaturated flow conditions were evaluated. Batch reactor experiments were conducted to measure the surfactant sorption characteristics, while unsaturated transport experiments were performed in columns packed with 40-270 mesh Ottawa sand at five initial water contents. Following the introduction of surfactant solution, the rate of water percolation through the sand increased; however, this period of rapid water drainage was followed by decreased water percolation due to the reduction in soil water content and the corresponding decrease in unsaturated hydraulic conductivity behind the surfactant front. The observed changes in water percolation occurred sequentially, and resulted in faster nonreactive solute transport than was observed in the absence of surfactant. A one-dimensional mathematical model accurately described coupled water flow, surfactant, and solute transport under most experimental conditions. Differences between model predictions and experimental data were observed in the column study performed at the lowest water content (0.115 cm3/cm3), which was attributed to surfactant adsorption at the air-water interface. These findings demonstrate the potential influence of surfactants additives on unsaturated water flow and solute transport in soils, and demonstrate a methodology to couple these processes in a predictive modeling tool.

  15. Water transport into epoxy resins and composites

    SciTech Connect

    Tsou, H.S.

    1987-01-01

    The processing-property relationships were established for the epoxy system of tetraglycidyl 4,4'-diaminodiphenyl methane (TGDDM) cured with diaminodiphenyl sulfone (DDS). The TGDDM-DDS epoxy system was selected for analysis as the ensuing polymer matrix is most common in high-performance fiber-reinforced epoxy composites. Experiments on water transport in epoxy resins with varying compositions were performed and a relaxation-coupled transport behavior was observed in these epoxy resins. By post-curing vitrified epoxy resins, the additional free volume usually measured in them was removed and maximum water uptake was reduced. Since epoxy resins were in a quasi-equilibrium glassy state after the post-cure, Fick's law with a constant diffusion coefficient could adequately describe the water sorption behavior. A network formation model based on the branching theory was developed, taking into account the difference in reactivities of primary and secondary amines and the etherification reaction. Using this network formation model, water uptake in post-cured epoxy resins was found to be proportional to tertiary amine concentration.

  16. SiSPAT-Isotope, a coupled heat, water and stable isotope (HDO and H 218O) transport model for bare soil. Part II. Evaluation and sensitivity tests using two laboratory data sets

    NASA Astrophysics Data System (ADS)

    Braud, I.; Bariac, T.; Vauclin, M.; Boujamlaoui, Z.; Gaudet, J. P.; Biron, Ph.; Richard, P.

    2005-07-01

    Stable water isotopes are tracers of water movement within the soil-vegetation-atmosphere system. They have the potential for a better understanding of water vapour transport within soils, evaporation and transpiration processes. To better understand those potentialities and possible lack of knowledge, a coupled heat-water and stable isotope transport model, called SiSPAT-Isotope was developed for bare soil. We presented the theoretical basis of the model in the first part of the paper, including a first validation of the likelihood of model results and a comparison with existing analytical solutions. In this companion paper, we go a step further by comparing the model results with two data sets collected on laboratory columns. In both cases, five soil columns were saturated and let drying during 173 and 253 days, respectively. At selected dates, one of the column was cut into slices and analysed to determine the volumetric water content, the deuterium and oxygen 18 concentrations profiles. The first data set was acquired on disturbed soil columns. The second one was collected on non-disturbed soil columns and it included a complete monitoring of atmospheric variables. It was not the case for the first one and a sensitivity analysis of model results to the air humidity was performed, showing its large influence on surface isotope concentrations. For both data sets, we also conducted a sensitivity analysis to the formulation of the kinetic fractionation factor, conditioning the resistance to isotope transport between the soil surface and the atmosphere, and to the value of soil tortuosity. The results showed that the model was able to reproduce the behaviour of the observed concentration profiles. A fair agreement between measured and calculated values was obtained for all profiles for the disturbed soil. Near surface concentrations were in general overestimated for the undisturbed soil, raising the question of possible influence of immobile water on concentrations

  17. Development, Testing, and Application of a Coupled Hydrodynamic Surface-Water/Groundwater Model (FTLOADDS) with Heat and Salinity Transport in the Ten Thousand Islands/Picayune Strand Restoration Project Area, Florida

    USGS Publications Warehouse

    Swain, Eric D.; Decker, Jeremy D.

    2009-01-01

    A numerical model application was developed for the coastal area inland of the Ten Thousand Islands (TTI) in southwestern Florida using the Flow and Transport in a Linked Overland/Aquifer Density-Dependent System (FTLOADDS) model. This model couples a two-dimensional dynamic surface-water model with a three-dimensional groundwater model, and has been applied to several locations in southern Florida. The model application solves equations for salt transport in groundwater and surface water, and also simulates surface-water temperature using a newly enhanced heat transport algorithm. One of the purposes of the TTI application is to simulate hydrologic factors that relate to habitat suitability for the West Indian Manatee. Both salinity and temperature have been shown to be important factors for manatee survival. The inland area of the TTI domain is the location of the Picayune Strand Restoration Project, which is designed to restore predevelopment hydrology through the filling and plugging of canals, construction of spreader channels, and the construction of levees and pump stations. The effects of these changes are simulated to determine their effects on manatee habitat. The TTI application utilizes a large amount of input data for both surface-water and groundwater flow simulations. These data include topography, frictional resistance, atmospheric data including rainfall and air temperature, aquifer properties, and boundary conditions for tidal levels, inflows, groundwater heads, and salinities. Calibration was achieved by adjusting the parameters having the largest uncertainty: surface-water inflows, the surface-water transport dispersion coefficient, and evapotranspiration. A sensitivity analysis did not indicate that further parameter changes would yield an overall improvement in simulation results. The agreement between field data from GPS-tracked manatees and TTI application results demonstrates that the model can predict the salinity and temperature

  18. Numerical and Experimental Quantification of coupled water and water vapor fluxes in very dry soils.

    NASA Astrophysics Data System (ADS)

    Madi, Raneem; de Rooij, Gerrit

    2015-04-01

    In arid and semi-arid regions with deep groundwater and very dry soils, vapor movement in the vadose zone may be a major component in the total water flux. Therefore, the coupled movement of liquid water, water vapor and heat transport in the unsaturated zone should be explicitly considered to quantify subsurface water fluxes in such regions. Only few studies focused on the importance of vapor water diffusion in dry soils and in many water flow studies in soil it was neglected. We are interested in the importance of water vapor diffusion and condensation in very dry sand. A version of Hydrus-1D capable of solving the coupled water vapor and heat transport equations will be used to do the numerical modeling. The soil hydraulic properties will be experimentally determined. A soil column experiment was developed with negligible liquid flow in order to isolate vapor flux for testing. We have used different values of initial water contents trying to generate different scenarios to assess the role of the water vapor transport in arid and semi-arid soils and how it changes the soil water content using different soil hydraulic parametrization functions. In the session a preliminary experimental and modelling results of vapor and water fluxes will be presented.

  19. The lateral intercellular space as osmotic coupling compartment in isotonic transport.

    PubMed

    Larsen, E H; Willumsen, N J; Møbjerg, N; Sørensen, J N

    2009-01-01

    Solute-coupled water transport and isotonic transport are basic functions of low- and high-resistance epithelia. These functions are studied with the epithelium bathed on the two sides with physiological saline of similar composition. Hence, at transepithelial equilibrium water enters the epithelial cells from both sides, and with the reflection coefficient of tight junction being larger than that of the interspace basement membrane, all of the water leaves the epithelium through the interspace basement membrane. The common design of transporting epithelia leads to the theory that an osmotic coupling of water absorption to ion flow is energized by lateral Na(+)/K(+) pumps. We show that the theory accounts quantitatively for steady- and time dependent states of solute-coupled fluid uptake by toad skin epithelium. Our experimental results exclude definitively three alternative theories of epithelial solute-water coupling: stoichiometric coupling at the molecular level by transport proteins like SGLT1, electro-osmosis and a 'junctional fluid transfer mechanism'. Convection-diffusion out of the lateral space constitutes the fundamental problem of isotonic transport by making the emerging fluid hypertonic relative to the fluid in the lateral intercellular space. In the Na(+) recirculation theory the 'surplus of solutes' is returned to the lateral space via the cells energized by the lateral Na(+)/K(+) pumps. We show that this theory accounts quantitatively for isotonic and hypotonic transport at transepithelial osmotic equilibrium as observed in toad skin epithelium in vitro. Our conclusions are further developed for discussing their application to solute-solvent coupling in other vertebrate epithelia such as small intestine, proximal tubule of glomerular kidney and gallbladder. Evidence is discussed that the Na(+) recirculation theory is not irreconcilable with the wide range of metabolic cost of Na(+) transport observed in fluid-transporting epithelia. PMID:18983444

  20. Electrogenicity of Na(+)-coupled bile acid transporters.

    PubMed Central

    Weinman, S. A.

    1997-01-01

    The Na(+)-bile acid cotransporters NTCP and ASBT are largely responsible for the Na(+)-dependent bile acid uptake in hepatocytes and intestinal epithelial cells, respectively. This review discusses the experimental methods available for demonstrating electrogenicity and examines the accumulating evidence that coupled transport by each of these bile acid transporters is electrogenic. The evidence includes measurements of transport-associated currents by patch clamp electrophysiological techniques, as well as direct measurement of fluorescent bile acid transport rates in whole cell patch clamped, voltage clamped cells. The results support a Na+:bile acid coupling stoichiometry of 2:1. PMID:9626753

  1. CHARACTERIZING COUPLED CHARGE TRANSPORT WITH MULTISCALE MOLECULAR DYNAMICS

    SciTech Connect

    Swanson, Jessica

    2011-08-31

    This is the final progress report for Award DE-SC0004920, entitled 'Characterizing coupled charge transport with multi scale molecular dynamics'. The technical abstract will be provided in the uploaded report.

  2. Implications of Lagrangian transport for coupled chemistry-climate simulations

    NASA Astrophysics Data System (ADS)

    Stenke, A.; Dameris, M.; Grewe, V.; Garny, H.

    2008-10-01

    For the first time a purely Lagrangian transport algorithm is applied in a fully coupled chemistry-climate model (CCM). We use the Lagrangian scheme ATTILA for the transport of water vapour, cloud water and chemical trace species in the ECHAM4.L39(DLR)/CHEM (E39C) CCM. The advantage of the Lagrangian approach is that it is numerically non-diffusive and therefore maintains steeper and more realistic gradients than the operational semi-Lagrangian transport scheme. In case of radiatively active species changes in the simulated distributions feed back to model dynamics which in turn affect the modelled transport. The implications of the Lagrangian transport scheme for stratospheric model dynamics and tracer distributions in the upgraded model version E39C-ATTILA (E39C-A) are evaluated by comparison with observations and results of the E39C model with the operational semi-Lagrangian advection scheme. We find that several deficiencies in stratospheric dynamics in E39C seem to originate from a pronounced modelled wet bias and an associated cold bias in the extra-tropical lowermost stratosphere. The reduction of the simulated moisture and temperature bias in E39C-A leads to a significant advancement of stratospheric dynamics in terms of the mean state as well as annual and interannual variability. As a consequence of the favourable numerical characteristics of the Lagrangian transport scheme and the improved model dynamics, E39C-A generally shows more realistic stratospheric tracer distributions: Compared to E39C high stratospheric chlorine (Cly) concentrations extend further downward and agree now well with analyses derived from observations. Therefore E39C-A realistically covers the altitude of maximum ozone depletion in the stratosphere. The location of the ozonopause, i.e. the transition from low tropospheric to high stratospheric ozone values, is also clearly improved in E39C-A. Furthermore, the simulated temporal evolution of stratospheric Cly in the past is

  3. Modeling greenhouse gas emissions (CO2, N2O, CH4) from managed arable soils with a fully coupled hydrology-biogeochemical modeling system simulating water and nutrient transport and associated carbon and nitrogen cycling at catchment scale

    NASA Astrophysics Data System (ADS)

    Klatt, Steffen; Haas, Edwin; Kraus, David; Kiese, Ralf; Butterbach-Bahl, Klaus; Kraft, Philipp; Plesca, Ina; Breuer, Lutz; Zhu, Bo; Zhou, Minghua; Zhang, Wei; Zheng, Xunhua; Wlotzka, Martin; Heuveline, Vincent

    2014-05-01

    The use of mineral nitrogen fertilizer sustains the global food production and therefore the livelihood of human kind. The rise in world population will put pressure on the global agricultural system to increase its productivity leading most likely to an intensification of mineral nitrogen fertilizer use. The fate of excess nitrogen and its distribution within landscapes is manifold. Process knowledge on the site scale has rapidly grown in recent years and models have been developed to simulate carbon and nitrogen cycling in managed ecosystems on the site scale. Despite first regional studies, the carbon and nitrogen cycling on the landscape or catchment scale is not fully understood. In this study we present a newly developed modelling approach by coupling the fully distributed hydrology model CMF (catchment modelling framework) to the process based regional ecosystem model LandscapeDNDC for the investigation of hydrological processes and carbon and nitrogen transport and cycling, with a focus on nutrient displacement and resulting greenhouse gas emissions in a small catchment at the Yanting Agro-ecological Experimental Station of Purple Soil, Sichuan province, China. The catchment hosts cypress forests on the outer regions, arable fields on the sloping croplands cultivated with wheat-maize rotations and paddy rice fields in the lowland. The catchment consists of 300 polygons vertically stratified into 10 soil layers. Ecosystem states (soil water content and nutrients) and fluxes (evapotranspiration) are exchanged between the models at high temporal scales (hourly to daily) forming a 3-dimensional model application. The water flux and nutrients transport in the soil is modelled using a 3D Richards/Darcy approach for subsurface fluxes with a kinematic wave approach for surface water runoff and the evapotranspiration is based on Penman-Monteith. Biogeochemical processes are modelled by LandscapeDNDC, including soil microclimate, plant growth and biomass allocation

  4. Flux coupling in the human serotonin transporter.

    PubMed

    Adams, Scott V; DeFelice, Louis J

    2002-12-01

    The serotonin (5-hydroxytryptamine; 5HT) transporter (SERT) catalyzes the movement of 5HT across cellular membranes. In the brain, SERT clears 5HT from extracellular spaces, modulating the strength and duration of serotonergic signaling. SERT is also an important pharmacological target for antidepressants and drugs of abuse. We have studied the flux of radio-labeled 5HT through the transporter stably expressed in HEK-293 cells. Analysis of the time course of net transport, the equilibrium 5HT gradient sustained, and the ratio of the unidirectional influx to efflux of 5HT indicate that mechanistically, human SERT functions as a 5HT channel rather than a classical carrier. This is especially apparent at relatively high [5HT](out) (> or =10 microM), but is not restricted to this regime of external 5HT. PMID:12496095

  5. Flux coupling in the human serotonin transporter.

    PubMed Central

    Adams, Scott V; DeFelice, Louis J

    2002-01-01

    The serotonin (5-hydroxytryptamine; 5HT) transporter (SERT) catalyzes the movement of 5HT across cellular membranes. In the brain, SERT clears 5HT from extracellular spaces, modulating the strength and duration of serotonergic signaling. SERT is also an important pharmacological target for antidepressants and drugs of abuse. We have studied the flux of radio-labeled 5HT through the transporter stably expressed in HEK-293 cells. Analysis of the time course of net transport, the equilibrium 5HT gradient sustained, and the ratio of the unidirectional influx to efflux of 5HT indicate that mechanistically, human SERT functions as a 5HT channel rather than a classical carrier. This is especially apparent at relatively high [5HT](out) (> or =10 microM), but is not restricted to this regime of external 5HT. PMID:12496095

  6. Modeling of coupled geochemical and transport processes: An overview

    SciTech Connect

    Carnahan, C.L.

    1989-10-01

    Early coupled models associated with fluid flow and solute transport have been limited by assumed conditions of constant temperature, fully saturated fluid flow, and constant pore fluid velocity. Developments including coupling of chemical reactions to variable fields of temperature and fluid flow have generated new requirements for experimental data. As the capabilities of coupled models expand, needs are created for experimental data to be used for both input and validation. 25 refs.

  7. Visualizing the kinetic power stroke that drives proton-coupled Zn(II) transport

    PubMed Central

    Gupta, Sayan; Chai, Jin; Cheng, Jie; D'Mello, Rhijuta; Chance, Mark R.; Fu, Dax

    2014-01-01

    The proton gradient is a principal energy source for respiration-dependent active transport, but the structural mechanisms of proton-coupled transport processes are poorly understood. YiiP is a proton-coupled zinc transporter found in the cytoplasmic membrane of E. coli, and the transport-site of YiiP receives protons from water molecules that gain access to its hydrophobic environment and transduces the energy of an inward proton gradient to drive Zn(II) efflux1,2. This membrane protein is a well characterized member3-7 of the protein family of cation diffusion facilitators (CDFs) that occurs at all phylogenetic levels8-10. X-ray mediated hydroxyl radical labeling of YiiP and mass spectrometric analysis showed that Zn(II) binding triggered a highly localized, all-or-none change of water accessibility to the transport-site and an adjacent hydrophobic gate. Millisecond time-resolved dynamics revealed a concerted and reciprocal pattern of accessibility changes along a transmembrane helix, suggesting a rigid-body helical reorientation linked to Zn(II) binding that triggers the closing of the hydrophobic gate. The gated water access to the transport-site enables a stationary proton gradient to facilitate the conversion of zinc binding energy to the kinetic power stroke of a vectorial zinc transport. The kinetic details provide energetic insights into a proton-coupled active transport reaction. PMID:25043033

  8. Mathematical Simulation of Sediment and Radionuclide Transport in Surface Waters

    SciTech Connect

    ,

    1981-04-01

    The study objective of "The Mathematical Simulation of Sediment and Radionuclide Transport in Surface Waters" is to synthesize and test radionuclide transport models capable of realistically assessing radionuclide transport in various types of surface water bodies by including the sediment-radionuclide interactions. These interactions include radionuclide adsorption by sediment; desorption from sediment into water; and transport, deposition, and resuspension of sorbed radionuclides controlled by the sediment movements. During FY-1979, the modification of sediment and contaminant (radionuclide) transport model, FETRA, was completed to make it applicable to coastal waters. The model is an unsteady, two-dimensional (longitudinal and lateral) model that consists of three submodels (for sediment, dissolved-contaminant, and particulate-contaminant transport), coupled to include the sediment-contaminant interactions. In estuaries, flow phenomena and consequent sediment and radionuclide migration are often three-dimensional in nature mainly because of nonuniform channel cross-sections, salinity intrusion, and lateral-flow circulation. Thus, an unsteady, three-dimensional radionuclide transport model for estuaries is also being synthesized by combining and modifying a PNL unsteady hydrothermal model and FETRA. These two radionuclide transport models for coastal waters and estuaries will be applied to actual sites to examine the validity of the codes.

  9. The Physiological Relevance of Na+-Coupled K+-Transport.

    PubMed

    Maathuis, FJM.; Verlin, D.; Smith, F. A.; Sanders, D.; Fernandez, J. A.; Walker, N. A.

    1996-12-01

    Plant roots utilize at least two distinct pathways with high and low affinities to accumulate K+. The system for high-affinity K+ uptake, which takes place against the electrochemical K+ gradient, requires direct energization. Energization of K+ uptake via Na+ coupling has been observed in algae and was recently proposed as a mechanism for K+ uptake in wheat (Triticum aestivum L.). To investigate whether Na+ coupling has general physiological relevance in energizing K+ transport, we screened a number of species, including Arabidopsis thaliana L. Heynh. ecotype Columbia, wheat, and barley (Hordeum vulgare L.), for the presence of Na+-coupled K+ uptake. Rb+-flux analysis and electrophysiological K+-transport assays were performed in the presence and absence of Na+ and provided evidence for a coupling between K+ and Na+ transport in several aquatic species. However, all investigated terrestrial species were able to sustain growth and K+ uptake in the absence of Na+. Furthermore, the addition of Na+ was either without effect or inhibited K+ absorption. The latter characteristic was independent of growth conditions with respect to Na+ status and pH. Our results suggest that in terrestrial species Na+-coupled K+ transport has no or limited physiological relevance, whereas in certain aquatic angiosperms and algae this type of secondary transport energization plays a significant role. PMID:12226467

  10. Osmotic water transport in aquaporins: evidence for a stochastic mechanism

    PubMed Central

    Zeuthen, Thomas; Alsterfjord, Magnus; Beitz, Eric; MacAulay, Nanna

    2013-01-01

    We test a novel, stochastic model of osmotic water transport in aquaporins. A solute molecule present at the pore mouth can either be reflected or permeate the pore. We assume that only reflected solute molecules induce osmotic transport of water through the pore, while permeating solute molecules give rise to no water transport. Accordingly, the rate of water transport is proportional to the reflection coefficient σ, while the solute permeability, PS, is proportional to 1 –σ. The model was tested in aquaporins heterologously expressed in Xenopus oocytes. A variety of aquaporin channel sizes and geometries were obtained with the two aquaporins AQP1 and AQP9 and mutant versions of these. Osmotic water transport was generated by adding 20 mm of a range of different-sized osmolytes to the outer solution. The osmotic water permeability and the reflection coefficient were measured optically at high resolution and compared to the solute permeability obtained from short-term uptake of radio-labelled solute under isotonic conditions. For each type of aquaporin there was a linear relationship between solute permeability and reflection coefficient, in accordance with the model. We found no evidence for coupling between water and solute fluxes in the pore. In confirmation of molecular dynamic simulations, we conclude that the magnitude of the osmotic water permeability and the reflection coefficient are determined by processes at the arginine selectivity filter located at the outward-facing end of the pore. PMID:23959676

  11. MODELING COUPLED HYDROLOGICAL AND CHEMICAL PROCESSES: LONG-TERM URANIUM TRANSPORT FOLLOWING PHOSPHOROUS-FERTILIZATION

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Contaminants in the vadose zone are affected by the physical processes of water flow, heat movement and multicomponent transport, as well as generally by a range of interacting biogeochemical processes. Coupling these various processes within one integrated numerical simulator provides a process-ba...

  12. Turbulent Water Coupling in Shock Wave Lithotripsy

    PubMed Central

    Lautz, Jaclyn; Sankin, Georgy; Zhong, Pei

    2013-01-01

    Previous studies have demonstrated that stone comminution decreases with increased pulse repetition frequency as a result of bubble proliferation in the cavitation field of a shock wave lithotripter (Pishchalnikov et al., 2011). If cavitation nuclei remain in the propagation path of successive lithotripter pulses, especially in the acoustic coupling cushion of the shock wave source, they will consume part of the incident wave energy, leading to reduced tensile pressure in the focal region and thus lower stone comminution efficiency. We introduce a method to remove cavitation nuclei from the coupling cushion between successive shock exposures using a jet of degassed water. As a result, pre-focal bubble nuclei lifetime quantified by B-mode ultrasound imaging was reduced from 7 s to 0.3 s by a jet with an exit velocity of 62 cm/s. Stone fragmentation (percent mass < 2 mm) after 250 shocks delivered at 1 Hz was enhanced from 22 ± 6% to 33 ± 5% (p = 0.007) in water without interposing tissue mimicking materials. Stone fragmentation after 500 shocks delivered at 2 Hz was increased from 18 ± 6% to 28 ± 8% (p = 0.04) with an interposing tissue phantom of 8 cm thick. These results demonstrate the critical influence of cavitation bubbles in the coupling cushion on stone comminution and suggest a potential strategy to improve the efficacy of contemporary shock wave lithotripters. PMID:23322027

  13. Coupled surface-water and ground-water model

    USGS Publications Warehouse

    Swain, Eric D.; Wexler, Eliezer J.

    1991-01-01

    In areas with dynamic and hydraulically well connected ground-water and surface-water systems, it is desirable that stream-aquifer interaction be simulated with models of equal sophistication and accuracy. Accordingly, a new, coupled ground-water and surface-water model was developed by combining the U.S. Geological Survey models MODFLOW and BRANCH. MODFLOW is the widely used modular three-dimensional, finite-difference, ground-water model and BRANCH is a one-dimensional numerical model commonly used to simulate flow in open-channel networks. Because time steps used in ground-water modeling commonly are much longer than those used in surface-water simulations, provision has been made for handling multiple BRANCH time steps within one MODFLOW time step. Verification testing of the coupled model was done using data from previous studies and by comparing results with output from a simpler four-point implicit open-channel flow model linked with MODFLOW.

  14. Hydraulic Transport of Ice-Water Mixtures

    NASA Astrophysics Data System (ADS)

    Fujita, Toshihiko

    When an ice thermal storage system is introduced into a district cooling system,the hydraulic ice transport system must have an advantage over a conventional water transport system in saving pipe sizes and pumping powers. Referring to the literature providing direct information on the hydraulic transport of ice-water mixtures,the author comments on the following subjects : •Definitions of an ice packing factor. • The capacity of heat transported with ice-water mixtures. • District distribution system. • Flow patterns in ice-water two-phase flow in straight pipes. • General expressions for pressure losses in solid-liquid two-phase flow. • The characteristics of pressure losses in ice-water two-phase flow. •Choking phenomena in channels.

  15. Plant water relations I: uptake and transport

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Plants, like all living things, are mostly water. Water is the matrix of life, and its availability determines the distribution and productivity of plants on earth. Vascular plants evolved structures that enable them to transport water long distances with little input of energy, but the hollow trach...

  16. Quantum transport in coupled resonators enclosed synthetic magnetic flux

    NASA Astrophysics Data System (ADS)

    Jin, L.

    2016-07-01

    Quantum transport properties are instrumental to understanding quantum coherent transport processes. Potential applications of quantum transport are widespread, in areas ranging from quantum information science to quantum engineering, and not restricted to quantum state transfer, control and manipulation. Here, we study light transport in a ring array of coupled resonators enclosed synthetic magnetic flux. The ring configuration, with an arbitrary number of resonators embedded, forms a two-arm Aharonov-Bohm interferometer. The influence of magnetic flux on light transport is investigated. Tuning the magnetic flux can lead to resonant transmission, while half-integer magnetic flux quantum leads to completely destructive interference and transmission zeros in an interferometer with two equal arms.

  17. Modeling Reactive Transport in Coupled Groundwater-Conduit Systems

    NASA Astrophysics Data System (ADS)

    Spiessl, S. M.; Sauter, M.; Zheng, C.; Viswanathan, H. S.

    2002-05-01

    Modeling reactive transport in coupled groundwater-conduit systems requires consideration of two transport time scales in the flow and transport models. Consider for example a subsurface mine consisting of a network of highly conductive shafts, drifts or ventilation raises (i.e., conduits) within the considerably less permeable ore material (i.e., matrix). In the conduits, potential contaminants can travel much more rapidly than in the background aquifer (matrix). Since conduits cannot necessarily be regarded as a continuum, double continuum models are only of limited use for simulation of contaminant transport in such coupled groundwater-conduit systems. This study utilizes a "hybrid" flow and transport model in which contaminants can in essence be transported at a slower time scale in the matrix and at a faster time scale in the conduits. The hybrid flow model uses an approach developed by Clemens et al. (1996), which is based on the modelling of flow in a discrete pipe network, coupled to a continuum representing the low-permeability inter-conduit matrix blocks. Laminar or turbulent flow can be simulated in the different pipes depending on the flow conditions in the model domain. The three-dimensional finite-difference groundwater flow model MODFLOW (Harbaugh and McDonald, 1996) is used to simulate flow in the continuum. Contaminant transport within the matrix is simulated with a continuum approach using the three-dimensional multi-species solute transport model MT3DMS (Zheng and Wang, 1999), while that in the conduit system is simulated with a one-dimensional advective transport model. As a first step for reactive transport modeling in such systems, only equilibrium reactions among multiple species are considered by coupling the hybrid transport model to a geochemical speciation package. An idealized mine network developed by Viswanathan and Sauter (2001) is used as a test problem in this study. The numerical experiment is based on reference date collected from

  18. Isotonic water transport in secretory epithelia.

    PubMed

    Swanson, C H

    1977-01-01

    The model proposed by Diamond and Bossert [1] for isotonic water transport has received wide acceptance in recent years. It assumes that the local driving force for water transport is a standing osmotic gradient produced in the lateral intercellular spaces of the epithelial cell layer by active solute transport. While this model is based on work done in absorptive epithelia where the closed to open direction of the lateral space and the direction of net transport are the same, it has been proposed that the lateral spaces could also serve as the site of the local osmotic gradients for water transport in secretory epithelia, where the closed to open direction of the lateral space and net transport are opposed, by actively transporting solute out of the space rather than into it. Operation in the backward direction, however, requires a lower than ambient hydrostatic pressure within the lateral space which would seem more likely to cause the space to collapse with loss of function. On the other hand, most secretory epithelia are characterized by transport into a restricted ductal system which is similar to the lateral intercellular space in the absorptive epithelia in that its closed to open direction is the same as that of net transport. In vitro micropuncture studies on the exocrine pancreas of the rabbit indicate the presence of a small but statistically significant increase in juice osmolality, 6 mOsm/kg H(2)O, at the site of electrolyte and water secretion in the smallest extralobular ducts with secretin stimulation which suggests that the ductal system in the secretory epithelia rather than the lateral intercellular space is the site of the local osmotic gradients responsible for isotonic water transport. PMID:331693

  19. A coupled heat and water flow apparatus

    SciTech Connect

    Mohamed, A.M.O.; Caporouscio, F.; Yong, R.N. ); Cheung, C.H. ); Kjartanson, B.H. )

    1993-03-01

    Safe and permanent disposal of radioactive waste requires isolation of a number of diverse chemical elements form the environment. The Canadian Nuclear Fuel Waste Management Program is assessing the concept of disposing of waste in a vault excavated at a depth of 500 to 1000 m below the ground surface in plutonic rock of the Canadian Shield. The temperatures and hydraulic potential in the buffer and back fill material were investigated. To study the performance of a compacted buffer material under thermal and isothermal conditions, a coupled heat and water flow apparatus is designed and presented. In the preliminary design, a one-dimensional flow of heat and water was not achieved. however, control of temperature gradient, existence of one-dimensional flow, and uniformity of temperature and volumetric water content distributions at any cross section within the specimen are achieved in the modified design. Experimental results have shown that the temperature stabilizes very rapidly after a period of approximately 0. 107 days. The moisture moves away from the hot end along the longitudinal direction of the specimen due to imposed thermal gradient. The time required for moisture to stabilize is in order of days. 17 refs., 17 figs., 3 tabs.

  20. Transport properties of elastically coupled fractional Brownian motors

    NASA Astrophysics Data System (ADS)

    Lv, Wangyong; Wang, Huiqi; Lin, Lifeng; Wang, Fei; Zhong, Suchuan

    2015-11-01

    Under the background of anomalous diffusion, which is characterized by the sub-linear or super-linear mean-square displacement in time, we proposed the coupled fractional Brownian motors, in which the asymmetrical periodic potential as ratchet is coupled mutually with elastic springs, and the driving source is the external harmonic force and internal thermal fluctuations. The transport mechanism of coupled particles in the overdamped limit is investigated as the function of the temperature of baths, coupling constant and natural length of the spring, the amplitude and frequency of driving force, and the asymmetry of ratchet potential by numerical stimulations. The results indicate that the damping force involving the information of historical velocity leads to the nonlocal memory property and blocks the traditional dissipative motion behaviors, and it even plays a cooperative role of driving force in drift motion of the coupled particles. Thus, we observe various non-monotonic resonance-like behaviors of collective directed transport in the mediums with different diffusion exponents.

  1. Validation of a coupled reactive transport code in porous media

    NASA Astrophysics Data System (ADS)

    Mugler, C.; Montarnal, P.; Dimier, A.

    2003-04-01

    The safety assessment of nuclear waste disposals needs to predict the migration of radionuclides and chemical species through a geological medium. It is therefore necessary to develop and assess qualified and validated tools which integrate both the transport mechanisms through the geological media and the chemical mechanisms governing the mobility of radionuclides. In this problem, both geochemical and hydrodynamic phenomena are tightly linked together. That is the reason why the French Nuclear Energy Agency (CEA) and the French Agency for the Management of Radioactive Wastes (ANDRA) are conjointly developping a coupled reactive transport code that solves simultaneously a geochemical model and a transport model. This code, which is part of the software project ALLIANCES, leans on the libraries of two geochemical codes solving the complex ensemble of reacting chemical species: CHESS and PHREEQC. Geochemical processes considered here include ion exchange, redox reactions, acid-base reactions, surface complexation and mineral dissolution and/or precipitation. Transport is simulated using the mixed-hybrid finite element scheme CAST3M or the finite volume scheme MT3D. All together solve Darcy's law and simulate several hydrological processes such as advection, diffusion and dispersion. The coupling algorithm is an iterative sequential algorithm. Several analytical test cases have been defined and used to validate the reactive transport code. Numerical results can be compared to analytical solutions.

  2. Charge transport in strongly coupled quantum dot solids

    NASA Astrophysics Data System (ADS)

    Kagan, Cherie R.; Murray, Christopher B.

    2015-12-01

    The emergence of high-mobility, colloidal semiconductor quantum dot (QD) solids has triggered fundamental studies that map the evolution from carrier hopping through localized quantum-confined states to band-like charge transport in delocalized and hybridized states of strongly coupled QD solids, in analogy with the construction of solids from atoms. Increased coupling in QD solids has led to record-breaking performance in QD devices, such as electronic transistors and circuitry, optoelectronic light-emitting diodes, photovoltaic devices and photodetectors, and thermoelectric devices. Here, we review the advances in synthesis, assembly, ligand treatments and doping that have enabled high-mobility QD solids, as well as the experiments and theory that depict band-like transport in the QD solid state. We also present recent QD devices and discuss future prospects for QD materials and device design.

  3. Wentzel-Bardeen singularity in coupled Luttinger liquids: Transport properties

    SciTech Connect

    Martin, T.

    1994-08-26

    The recent progress on 1 D interacting electrons systems and their applications to study the transport properties of quasi one dimensional wires is reviewed. We focus on strongly correlated elections coupled to low energy acoustic phonons in one dimension. The exponents of various response functions are calculated, and their striking sensitivity to the Wentzel-Bardeen singularity is discussed. For the Hubbard model coupled to phonons the equivalent of a phase diagram is established. By increasing the filling factor towards half filling the WB singularity is approached. This in turn suppresses antiferromagnetic fluctuations and drives the system towards the superconducting regime, via a new intermediate (metallic) phase. The implications of this phenomenon on the transport properties of an ideal wire as well as the properties of a wire with weak or strong scattering are analyzed in a perturbative renormalization group calculation. This allows to recover the three regimes predicted from the divergence criteria of the response functions.

  4. The proton-coupled folate transporter: physiological and pharmacological roles.

    PubMed

    Zhao, Rongbao; Goldman, I David

    2013-12-01

    Recent studies have identified the proton-coupled folate transporter (PCFT) as the mechanism by which folates are absorbed across the apical brush-border membrane of the small intestine and across the basolateral membrane of the choroid plexus into the cerebrospinal fluid. Both processes are defective when there are loss-of-function mutations in this gene as occurs in the autosomal recessive disorder hereditary folate malabsorption. Because this transporter functions optimally at low pH, antifolates are being developed that are highly specific for PCFT in order to achieve selective delivery to malignant cells within the acidic environment of solid tumors. PCFT has a spectrum of affinities for folates and antifolates that narrows and increases at low pH. Residues have been identified that play a role in folate and proton binding, proton coupling, and oscillation of the carrier between its conformational states. PMID:24383099

  5. Transport Properties in Superconducting Wires Coupled to Ferromagnetic Leads

    NASA Astrophysics Data System (ADS)

    Chen, Qiao; Zhang, Ya-Min; Xu, H. Q.; Xu, Ning

    2016-02-01

    We investigate the transport properties of a pair of Majorana bound states in both serial configuration and T-shape configuration with ferromagnetic leads. By using a non-equilibrium Green's function method, the formula of current and shot noise are obtained. The numerical results show that the coupling between the Majorana bounds states at the ends of a wire can be tuned by the polarization P and polarization angle θ intimately in serial configuration. However, this coupling in T-shape configuration is only affected by ferromagnetic leads faintly. In addition, the Fano factor in both configurations is influenced by the polarization P and polarization angle θ intimately at low bias region. Because of the different transport mechanisms, the serial configuration and T-shape configuration show sub-Poissonian and super-Poissonian shot noise at low bias, respectively.

  6. Electron Transport in Water Vapour

    NASA Astrophysics Data System (ADS)

    Kawaguchi, Satoru; Satoh, Kohki; Itoh, Hidenori

    2015-09-01

    Sets of electron collision cross sections for water vapour previously reported are examined by comparing calculated electron swarm parameters with measured parameters. Further, reliable cross section set of water vapour is estimated by the electron swarm method using Monte Carlo simulation to ensure the accuracy of the swarm parameter calculation. The values of an electron drift velocity, a longitudinal diffusion coefficient, and an effective ionisation coefficient calculated from Yousfi and Benabdessadok's set and those calculated from Itikawa and Mason's set do not necessarily agree with measured data. A new cross section set of water vapour, which consists of three kinds of rotational excitation, two kinds of vibrational excitation, three kinds of electron attachment, twenty-six kinds of electronic excitation, and six kinds of ionisation cross sections, and an elastic collision cross section, is estimated, and an anisotropic electron scattering for elastic and rotational excitation collision is considered. The swarm parameters calculated from the estimated cross section set is in good agreement with measured data in a wide range of reduced electric field.

  7. Current density fluctuations, nonlinear coupling, and transport in MST

    SciTech Connect

    Prager, S.C.; Almagri, A.F.; Assadi, S.; Cekic, M.; Chapman, B.E.; Crocker, N.; Den Hartog, D.J.; Dexter, R.N.; Fiksel, G.; Fonck, R.J.; Henry, J.S.; Hokin, S.A.; Holly, D.J.; Ji, H.; Rempel, T.D.; Sarff, J.S.; Scime, E.; Shen, W.; Sidikman, K.L.; Sprott, J.C.; Stoneking, M.R.; Watts, C.

    1992-09-01

    New information on magnetic fluctuations and transport in toroidal devices has been obtained in the MST reversed field pinch through measurement of nonlinear coupling of three waves in k-space, and measurement of current density fluctuations. Measurements of nonlinear coupling of magnetic fluctuations reveals that (1) two poloidal mode number m = 1 modes couple strongly to an m = 2 mode, (2) toroidal mode coupling is broad extending up to n = 20, (3) these features agree with predictions for tearing fluctuations from a nonlinear MHD code, (4) during a sawtooth crash the number of modes involved in nonlinear interactions increases dramatically and the k-spectrum broadens simultaneously. Measurements of current density fluctuations over the outer 20% of the minor radius reveal that (1) low frequency fluctuations are consistent with tearing modes, (2) high frequency fluctuations are localized turbulence which maintains resonance with the equilibrium field as q changes with radius, (3) particle transport from magnetic fluctuations is ambipolar (i.e., <{delta}j{sub {parallel}}B{sub r}> = O).

  8. Electron transport in coupled double quantum wells and wires

    SciTech Connect

    Harff, N.E.; Simmons, J.A.; Lyo, S.K.

    1997-04-01

    Due to inter-quantum well tunneling, coupled double quantum wells (DQWs) contain an extra degree of electronic freedom in the growth direction, giving rise to new transport phenomena not found in single electron layers. This report describes work done on coupled DQWs subject to inplane magnetic fields B{sub {parallel}}, and is based on the lead author`s doctoral thesis, successfully defended at Oregon State University on March 4, 1997. First, the conductance of closely coupled DQWs in B{sub {parallel}} is studied. B{sub {parallel}}-induced distortions in the dispersion, the density of states, and the Fermi surface are described both theoretically and experimentally, with particular attention paid to the dispersion anticrossing and resulting partial energy gap. Measurements of giant distortions in the effective mass are found to agree with theoretical calculations. Second, the Landau level spectra of coupled DQWs in tilted magnetic fields is studied. The magnetoresistance oscillations show complex beating as Landau levels from the two Fermi surface components cross the Fermi level. A third set of oscillations resulting from magnetic breakdown is observed. A semiclassical calculation of the Landau level spectra is then performed, and shown to agree exceptionally well with the data. Finally, quantum wires and quantum point contacts formed in DQW structures are investigated. Anticrossings of the one-dimensional DQW dispersion curves are predicted to have interesting transport effects in these devices. Difficulties in sample fabrication have to date prevented experimental verification. However, recently developed techniques to overcome these difficulties are described.

  9. Water transport dynamics in trees and stands

    SciTech Connect

    Pallardy, S.G.; Cermak, J.; Ewers, F.W.; Kaufmann, M.R.; Parker, W.C.; Sperry, J.S.

    1995-07-01

    Water transport dynamics in trees and stands of conifers have certain features that are characteristic of this group and are at least rare among angiosperms. Among these features is the xylem transport system that is dependent on tracheids for long-distance water transport. Tracheid-containing xylem is relatively inefficient, a property that can reduce submaximum allowable rates of gas exchange, but tracheids also offer substantial capacity for water storage and high resistance to freezing-induced dysfunction. Thus, they are quite compatible with the typical evergreen habit and long transpiration season of conifers. At the stand level, canopy transpiration in conifers is primarily controlled by stomatal conductance. In contrast, in dense canopies of angio-sperms, particularly those of tropical forests with limited air mixing, stand transpiration is limited by radiation input rather than by stomatal control. Because of their evergreen habit a greater proportion of evapotranspiration in conifer forests is associated with evaporation of water intercepted by the tree crowns. Other features of transport dynamics are characteristic of most conifers, but are not unique to this group. Among these features are typically shallow root systems that often must supply water in winter to replace transpiration needs of evergreen species, common occurrence of mycorrhizae that enhance mineral and water uptake, and drought tolerance adaptations that include elements of both dehydration avoidance (e.g., stomatal closure under water stress, shifts in allocation of dry matter to below-ground sinks) and dehydration tolerance (e.g., capacity for acclimation of photosynthetic apparatus to drought, osmotic adjustment). Transpiration rates from conifer foliage often are lower than those of deciduous angiosperms, probably because of the lower maximum capacity of tracheid-bearing xylem to transport water.

  10. An exploration of coupled surface-subsurface solute transport in a fully integrated catchment model

    NASA Astrophysics Data System (ADS)

    Liggett, Jessica E.; Partington, Daniel; Frei, Sven; Werner, Adrian D.; Simmons, Craig T.; Fleckenstein, Jan H.

    2015-10-01

    Coupling surface and subsurface water flow in fully integrated hydrological codes is becoming common in hydrological research; however, the coupling of surface-subsurface solute transport has received much less attention. Previous studies on fully integrated solute transport focus on small scales, simple geometric domains, and have not utilised many different field data sources. The objective of this study is to demonstrate the inclusion of both flow and solute transport in a 3D, fully integrated catchment model, utilising high resolution observations of dissolved organic carbon (DOC) export from a wetland complex during a rainfall event. A sensitivity analysis is performed to span a range of transport conditions for the surface-subsurface boundary (e.g. advective exchange only, advection plus diffusion, advection plus full mechanical dispersion) and subsurface dispersivities. The catchment model captures some aspects of observed catchment behaviour (e.g. solute discharge at the catchment outlet, increasing discharge from wetlands with increased stream discharge, and counter-clockwise concentration-discharge relationships), although other known behaviours are not well represented in the model (e.g. slope of concentration-discharge plots). Including surface-subsurface solute transport aids in evaluating internal model processes, however there are challenges related to the influence of dispersion across the surface-subsurface interface, and non-uniqueness of the solute transport solution. This highlights that obtaining solute field data is especially important for constraining integrated models of solute transport.

  11. CFEST Coupled Flow, Energy & Solute Transport Version CFEST005 Theory Guide

    SciTech Connect

    Freedman, Vicky L.; Chen, Yousu; Gupta, Sumant K.

    2005-11-01

    This document presents the mathematical theory implemented in the CFEST (Coupled Flow, Energy, and Solute Transport) simulator. The simulator is a three-dimensional finite element model that can be used for evaluating flow and solute mass transport. Although the theory for thermal transport is presented in this guide, it has not yet been fully implemented in the simulator. The flow module is capable of simulating both confined and unconfined aquifer systems, as well as constant and variable density fluid flows. For unconfined aquifers, the model uses a moving boundary for the water table, deforming the numerical mesh so that the uppermost nodes are always at the water table. For solute transport, changes in concentration of a single dissolved chemical constituent are computed for advective and hydrodynamic transport, linear sorption represented by a retardation factor, and radioactive decay. Once fully implemented, transport of thermal energy in the groundwater and solid matrix of the aquifer can also be used to model aquifer thermal regimes. Mesh construction employs “collapsible”, hexahedral finite elements in a three-dimensional coordinate system. CFEST uses the Galerkin finite element method to convert the partial differential equations to algebraic form. To solve the coupled equations for momentum, solute and heat transport, either Picard or Newton-Raphson iterative schemes are used to treat nonlinearities. An upstream weighted residual finite-element method is used to solve the advective-dispersive transport and energy transfer equations, which circumvents problems of numerical oscillation problems. Matrix solutions of the flow and transport problems are performed using efficient iterative solvers available in ITPACK and PETSc, solvers that are available in the public domain. These solvers are based on the preconditioned conjugate gradient and ORTHOMIN methods for symmetric and a nonsymmetric matrices, respectively.

  12. HEAT AND WATER TRANSPORT IN A POLYMER ELECTROLYTE FUEL CELL

    SciTech Connect

    Mukherjee, Partha P

    2010-01-01

    In the present scenario of a global initiative toward a sustainable energy future, the polymer electrolyte fuel cell (PEFC) has emerged as one of the most promising alternative energy conversion devices for various applications. Despite tremendous progress in recent years, a pivotal performance limitation in the PEFC comes from liquid water transport and the resulting flooding phenomena. Liquid water blocks the open pore space in the electrode and the fibrous diffusion layer leading to hindered oxygen transport. The electrode is also the only component in the entire PEFC sandwich which produces waste heat from the electrochemical reaction. The cathode electrode, being the host to several competing transport mechanisms, plays a crucial role in the overall PEFC performance limitation. In this work, an electrode model is presented in order to elucidate the coupled heat and water transport mechanisms. Two scenarios are specifically considered: (1) conventional, Nafion impregnated, three-phase electrode with the hydrated polymeric membrane phase as the conveyer of protons where local electro-neutrality prevails; and (2) ultra-thin, two-phase, nano-structured electrode without the presence of ionomeric phase where charge accumulation due to electro-statics in the vicinity of the membrane-CL interface becomes important. The electrode model includes a physical description of heat and water balance along with electrochemical performance analysis in order to study the influence of electro-statics/electro-migration and phase change on the PEFC electrode performance.

  13. Coupled polaronic and ion transport in nanocrystalline metal oxide electrodes

    NASA Astrophysics Data System (ADS)

    Rosso, Kevin

    2012-02-01

    We report new computational methods and fundamental understanding in the dynamics of coupled charge and ion transport in nanoscale metal oxides. The methods attack the multi-scale problem of simulating the collective diffusivities of ions and charge compensating e-/h+ carriers in single crystal particles, across particle-particle grain boundaries, and through networks of grains for select systems. Methods include embedded quantum mechanical clusters at the DFT and MP2 levels of theory for atomic-scale polaronic and ion transport kinetics, classical DFT-based free energy calculations for grain-scale conductivity in the framework of the Poisson-Nernst-Planck formalism, and phase field simulation of charged particle diffusivity for conductivity at the grain network scale. This combination of approaches is one of a kind in terms of its multi-scale range, scaling, and computational efficiency. We are presently focused on coupled electron and Li+ ion transport in polymorphs of TiO2, and also in mixed valence spinel oxides, for electrode conductivity optimization and improving energy storage materials performance for Li+ batteries.

  14. An analytical model for predicting transport in a coupled vadose/phreatic system

    SciTech Connect

    Tomasko, D.

    1997-05-01

    A simple analytical model is presented for predicting the transport of a contaminant in both the unsaturated (vadose) and saturated (phreatic) zones following a surficial spill. The model incorporates advection, dispersion, adsorption, and first-order decay in both zones and couples the transport processes at the water table. The governing equation is solved by using the method of Laplace transforms, with numerical inversion of the Laplace space equation for concentration. Because of the complexity of the functional form for the Laplace space solution, a numerical methodology using the real and imaginary parts of a Fourier series was implemented. To reduce conservatism in the model, dilution at the water table was also included. Verification of the model is demonstrated by its ability to reproduce the source history at the surface and to replicate appropriate one-dimensional transport through either the vadose or phreatic zone. Because of its simplicity and lack of detailed input data requirements, the model is recommended for scoping calculations.

  15. Sediment Transport and Water Quality Model of Cedar Lake, Indiana

    NASA Astrophysics Data System (ADS)

    James, S. C.; Jones, C. A.; Roberts, J. D.; Ahlmann, M.; Bucaro, D. A.

    2006-12-01

    The EPA-supported Environmental Fluid Dynamics Code, EFDC, is used to model hydrodynamics, sediment transport, and water quality in coastal regions, estuaries, rivers, and lakes. However, the empirical formulations used for sediment transport are not always adequate to accurately characterize cohesive sediment erosion and transport. New sediment transport subroutines have been incorporated into EFDC and the new model is called SNL-EFDC. The updated model provides an improved, coupled hydrodynamics, sediment transport, and water quality framework. The newly incorporated sediment transport subroutines facilitate direct use of measured erosion rate data from the Sediment Erosion with Depth Flume (SEDflume). Erosion rates are included as functions of both depth within the sediment bed and applied shear stresses. This bypasses problems associated with empirical erosion formulations often based on disaggregated particle size. Restoration alternatives are under consideration for Cedar Lake in Indiana and SNL-EFDC models its hydrodynamics, sediment transport, and water quality. The water quality model as implemented on Cedar Lake tracks algae, oxygen, temperature, carbon, phosphorous, and nitrogen kinetics, as well as, sediment bed diagenesis. Environmental conditions, wind, temperature, rainfall, and sunlight, were based on data collected in 2005. Tributary loading was modeled using L-THIA and provided influxes of water, nutrients (phosphorous, nitrogen, etc.), and sediments. The calibrated model was used to simulate a nine month period from March to November 2005. Results suggest that the model simulates sediments transport and associated water quality correctly. The calibrated model is being used to evaluate several restoration measures throughout the lake and watershed and their effect on water quality. Because Cedar Lake is a nitrogen limited lake, changes in the level of eutrophication from each measure are being tracked by calculating the Carlson trophic state index

  16. ATP-dependent substrate transport by the ABC transporter MsbA is proton-coupled.

    PubMed

    Singh, Himansha; Velamakanni, Saroj; Deery, Michael J; Howard, Julie; Wei, Shen L; van Veen, Hendrik W

    2016-01-01

    ATP-binding cassette transporters mediate the transbilayer movement of a vast number of substrates in or out of cells in organisms ranging from bacteria to humans. Current alternating access models for ABC exporters including the multidrug and Lipid A transporter MsbA from Escherichia coli suggest a role for nucleotide as the fundamental source of free energy. These models involve cycling between conformations with inward- and outward-facing substrate-binding sites in response to engagement and hydrolysis of ATP at the nucleotide-binding domains. Here we report that MsbA also utilizes another major energy currency in the cell by coupling substrate transport to a transmembrane electrochemical proton gradient. The dependence of ATP-dependent transport on proton coupling, and the stimulation of MsbA-ATPase by the chemical proton gradient highlight the functional integration of both forms of metabolic energy. These findings introduce ion coupling as a new parameter in the mechanism of this homodimeric ABC transporter. PMID:27499013

  17. ATP-dependent substrate transport by the ABC transporter MsbA is proton-coupled

    PubMed Central

    Singh, Himansha; Velamakanni, Saroj; Deery, Michael J.; Howard, Julie; Wei, Shen L.; van Veen, Hendrik W.

    2016-01-01

    ATP-binding cassette transporters mediate the transbilayer movement of a vast number of substrates in or out of cells in organisms ranging from bacteria to humans. Current alternating access models for ABC exporters including the multidrug and Lipid A transporter MsbA from Escherichia coli suggest a role for nucleotide as the fundamental source of free energy. These models involve cycling between conformations with inward- and outward-facing substrate-binding sites in response to engagement and hydrolysis of ATP at the nucleotide-binding domains. Here we report that MsbA also utilizes another major energy currency in the cell by coupling substrate transport to a transmembrane electrochemical proton gradient. The dependence of ATP-dependent transport on proton coupling, and the stimulation of MsbA-ATPase by the chemical proton gradient highlight the functional integration of both forms of metabolic energy. These findings introduce ion coupling as a new parameter in the mechanism of this homodimeric ABC transporter. PMID:27499013

  18. Energy-coupled outer membrane transport proteins and regulatory proteins.

    PubMed

    Braun, Volkmar; Endriss, Franziska

    2007-06-01

    FhuA and FecA are two examples of energy-coupled outer membrane import proteins of gram-negative bacteria. FhuA transports iron complexed by the siderophore ferrichrome and serves as a receptor for phages, a toxic bacterial peptide, and a toxic protein. FecA transports diferric dicitrate and regulates transcription of an operon encoding five ferric citrate (Fec) transport genes. Properties of FhuA mutants selected according to the FhuA crystal structure are described. FhuA mutants in the TonB box, the hatch, and the beta-barrel are rather robust. TonB box mutants in FhuA FecA, FepA, Cir, and BtuB are compared; some mutations are suppressed by mutations in TonB. Mutant studies have not revealed a ferrichrome diffusion pathway, and tolerance to mutations in the region linking the TonB box to the hatch does not disclose a mechanism for how energy transfer from the cytoplasmic membrane to FhuA changes the conformation of FhuA such that bound substrates are released, the pore is opened, and substrates enter the periplasm, or how surface loops change their conformation such that TonB-dependent phages bind irreversibly and release their DNA into the cells. The FhuA and FecA crystal structures do not disclose the mechanism of these proteins, but they provide important information for specific functional studies. FecA is also a regulatory protein that transduces a signal from the cell surface into the cytoplasm. The interacting subdomains of the proteins in the FecA --> FecR --> FecI --> RNA polymerase signal transduction pathway resulting in fecABCDE transcription have been determined. Energy-coupled transporters transport not only iron and vitamin B12, but also other substrates of very low abundance such as sugars across the outer membrane; transcription regulation of the transport genes may occur similarly to that of the Fec transport genes. PMID:17370038

  19. Isothermal titration calorimetry of ion-coupled membrane transporters

    PubMed Central

    SeCheol, Oh

    2015-01-01

    Binding of ligands, ranging from proteins to ions, to membrane proteins is associated with absorption or release of heat that can be detected by isothermal titration calorimetry (ITC). Such measurements not only provide binding affinities but also afford direct access to thermodynamic parameters of binding - enthalpy, entropy and heat capacity. These parameters can be interpreted in a structural context, allow discrimination between different binding mechanisms and guide drug design. In this review, we introduce advantages and limitations of ITC as a methodology to study molecular interactions of membrane proteins. We further describe case studies where ITC was used to analyze thermodynamic linkage between ions and substrates in ion-coupled transporters. Similar type of linkage analysis will likely be applicable to a wide range of transporters, channels, and receptors. PMID:25676707

  20. Strain engineering water transport in graphene nanochannels.

    PubMed

    Xiong, Wei; Liu, Jefferson Zhe; Ma, Ming; Xu, Zhiping; Sheridan, John; Zheng, Quanshui

    2011-11-01

    Using equilibrium and nonequilibrium molecular dynamic simulations, we found that engineering the strain on the graphene planes forming a channel can drastically change the interfacial friction of water transport through it. There is a sixfold change of interfacial friction stress when the strain changes from -10% to 10%. Stretching the graphene walls increases the interfacial shear stress, while compressing the graphene walls reduces it. Detailed analysis of the molecular structure reveals the essential roles of the interfacial potential energy barrier and the structural commensurateness between the solid walls and the first water layer. Our results suggest that the strain engineering is an effective way of controlling the water transport inside nanochannels. The resulting quantitative relations between shear stress and slip velocity and the understanding of the molecular mechanisms will be invaluable in designing graphene nanochannel devices. PMID:22181520

  1. Coupled transport/hyperelastic model for nastic materials

    NASA Astrophysics Data System (ADS)

    Homison, Chris; Weiland, Lisa M.

    2006-03-01

    Nastic materials are high energy density active materials that mimic processes used in the plant kingdom to produce large deformations through the conversion of chemical energy. These materials utilize the controlled transport of charge and fluid across a selectively-permeable membrane to achieve bulk deformation in a process referred to in the plant kingdom as nastic movements. The nastic material being developed consists of synthetic membranes containing biological ion pumps, ion channels, and ion exchangers surrounding fluid-filled cavities embedded within a polymer matrix. In this paper the formulation of a biological transport model and its coupling with a hyperelastic finite element model of the polymer matrix is discussed. The transport model includes contributions from ion pumps, ion exchangers, and solvent flux. This work will form the basis for a feedback loop in material synthesis efforts. The goal of these studies is to determine the relative importance of the various parameters associated with both the polymer matrix and the biological transport components.

  2. Osmotic water transport through carbon nanotube membranes

    PubMed Central

    Kalra, Amrit; Garde, Shekhar; Hummer, Gerhard

    2003-01-01

    We use molecular dynamics simulations to study osmotically driven transport of water molecules through hexagonally packed carbon nanotube membranes. Our simulation setup comprises two such semipermeable membranes separating compartments of pure water and salt solution. The osmotic force drives water flow from the pure-water to the salt-solution compartment. Monitoring the flow at molecular resolution reveals several distinct features of nanoscale flows. In particular, thermal fluctuations become significant at the nanoscopic length scales, and as a result, the flow is stochastic in nature. Further, the flow appears frictionless and is limited primarily by the barriers at the entry and exit of the nanotube pore. The observed flow rates are high (5.8 water molecules per nanosecond and nanotube), comparable to those through the transmembrane protein aquaporin-1, and are practically independent of the length of the nanotube, in contrast to predictions of macroscopic hydrodynamics. All of these distinct characteristics of nanoscopic water flow can be modeled quantitatively by a 1D continuous-time random walk. At long times, the pure-water compartment is drained, and the net flow of water is interrupted by the formation of structured solvation layers of water sandwiched between two nanotube membranes. Structural and thermodynamic aspects of confined water monolayers are studied. PMID:12878724

  3. Water dynamics in the rhizosphere - a new model of coupled water uptake and mucilage exudation

    NASA Astrophysics Data System (ADS)

    Kroener, E.

    2015-12-01

    The flow of water from soil to plant roots is affected by the narrow region of soil close to the roots, the so called rhizosphere. The rhizosphere is influenced by mucilage, a polymeric gel exuded by roots that alters the hydraulic properties of the rhizosphere. Here we present a model that accounts for: (a) an increase in equilibrium water retention curve caused by the water holding capacity of mucilage, (b) a reduction of hydraulic conductivity at same water content due to the higher viscosity of mucilage and (c) the swelling and shrinking dynamics by decoupling water content and water potential and introducing a non-equilibrium water retention curve. The model has been tested for mixtures of soil and mucilage and we applied it to simulate observations of previous experiments with real plants growing in soil that show evidences of altered hydraulic dynamics in the rhizosphere. Furthermore we presen results about how the parameters of the model depend on soil texture and root age. Finally we couple our hydraulic model to a diffusion model of mucilage into the soil. Opposed to classical solute transport experiments the water flow in the rhizosphere is affected by the concentration distribution of mucilage.

  4. Water dynamics in the rhizosphere - a new model of coupled water uptake and mucilage exudation

    NASA Astrophysics Data System (ADS)

    Kroener, Eva; Holz, Maire; Ahmed, Mutez; Zarebanadkouki, Mohsen; Bittelli, Marco; Carminati, Andrea

    2016-04-01

    The flow of water from soil to plant roots is affected by the narrow region of soil close to the roots, the so-called rhizosphere. The rhizosphere is influenced by mucilage, a polymeric gel exuded by roots that alters the hydraulic properties of the rhizosphere. Here we present a model that accounts for: (a) an increase in equilibrium water retention curve caused by the water holding capacity of mucilage, (b) a reduction of hydraulic conductivity at a given water content due to the higher viscosity of mucilage and (c) the swelling and shrinking dynamics by decoupling water content and water potential and introducing a non-equilibrium water retention curve. The model has been tested for mixtures of soil and mucilage and we applied it to simulate observations of previous experiments with real plants growing in soil that show evidences of altered hydraulic dynamics in the rhizosphere. Furthermore we present results about how the parameters of the model depend on soil texture and root age. Finally we couple our hydraulic model to a diffusion model of mucilage into the soil. Opposed to classical solute transport models here the water flow in the rhizosphere is affected by the concentration distribution of mucilage.

  5. Understanding transport in model water desalination membranes

    NASA Astrophysics Data System (ADS)

    Chan, Edwin

    Polyamide based thin film composites represent the the state-of-the-art nanofiltration and reverse osmosis membranes used in water desalination. The performance of these membranes is enabled by the ultrathin (~100 nm) crosslinked polyamide film in facilitating the selective transport of water over salt ions. While these materials have been refined over the last several decades, understanding the relationships between polyamide structure and membrane performance remains a challenge because of the complex and heterogeneous nature of the polyamide film. In this contribution, we present our approach to addressing this challenge by studying the transport properties of model polyamide membranes synthesized via molecular layer-by-layer (mLbL) assembly. First, we demonstrate that mLbL can successfully construct polyamide membranes with well-defined nanoscale thickness and roughness using a variety of monomer formulations. Next, we present measurement tools for characterizing the network structure and transport of these model polyamide membranes. Specifically, we used X-ray and neutron scattering techniques to characterize their structure as well as a recently-developed indentation based poromechanics approach to extrapolate their water diffusion coefficient. Finally, we illustrate how these measurements can provide insight into the original problem by linking the key polyamide network properties, i.e. water-polyamide interaction parameter and characteristic network mesh size, to the membrane performance.

  6. Diagnostics for transport phenomena in strongly coupled dusty plasmas

    NASA Astrophysics Data System (ADS)

    Goree, J.; Liu, Bin; Feng, Yan

    2013-12-01

    Experimental methods are described for determining transport coefficients in a strongly coupled dusty plasma. A dusty plasma is a mixture of electrons, ions and highly charged microspheres. Due to their large charges, the microspheres are a strongly coupled plasma, and they arrange themselves like atoms in a crystal or liquid. Using a video microscopy diagnostic, with laser illumination and a high speed video camera, the microspheres are imaged. Moment-method image analysis then yields the microspheres' positions and velocities. In one approach, these data in the particle paradigm are converted into the continuum paradigm by binning, yielding hydrodynamic quantities like number density, flow velocity and temperature that are recorded on a grid. To analyze continuum data for two-dimensional laboratory experiments, they are fit to the hydrodynamic equations, yielding the transport coefficients for shear viscosity and thermal conductivity. In another approach, the original particle data can be used to obtain the diffusion and viscosity coefficients, as is discussed in the context of future three-dimensional microgravity experiments.

  7. Trapping and transport of indirect excitons in coupled quantum wells

    NASA Astrophysics Data System (ADS)

    Wuenschell, Jeffrey K.

    Spatially indirect excitons are optically generated composite bosons with a radiative lifetime sufficient to reach thermal equilibrium. This work explores the physics of indirect excitons in coupled quantum wells in the GaAs/AlGaAs system, specifically in the low-temperature, high-density regime. Particular attention is paid to a technique whereby a spatially inhomogeneous strain field is used as a trapping potential. In the process of modeling the trapping profile in wide quantum wells, dramatic effects due to intersubband coupling were observed at high strain. Experimentally, this regime coincides with the abrupt appearance of a dark population of indirect excitons at trap center, an effect originally suspected to be related to Bose-Einstein condensation. Here, the role of band mixing due to the strain-induced distortion of the crystal symmetry will be explored in detail in the context of this effect. Experimental studies presented here and in the literature suggest that Bose-Einstein condensation in indirect exciton systems may be difficult to detect with optical means (e.g., coherence measurements, momentum-space narrowing), possibly due to the strong dipole interaction between indirect excitons. Due to similarities between this system and liquid helium, it may be more fruitful to look for transport-related signatures of condensation, such as super fluidity. Here, a method for performing transport measurements on optically generated indirect excitons is also outlined and preliminary results are presented.

  8. A Coupled Model of Multiphase Flow, Reactive Biogeochemical Transport, Thermal Transport and Geo-Mechanics.

    NASA Astrophysics Data System (ADS)

    Tsai, C. H.; Yeh, G. T.

    2015-12-01

    In this investigation, a coupled model of multiphase flow, reactive biogeochemical transport, thermal transport and geo-mechanics in subsurface media is presented. It iteratively solves the mass conservation equation for fluid flow, thermal transport equation for temperature, reactive biogeochemical transport equations for concentration distributions, and solid momentum equation for displacement with successive linearization algorithm. With species-based equations of state, density of a phase in the system is obtained by summing up concentrations of all species. This circumvents the problem of having to use empirical functions. Moreover, reaction rates of all species are incorporated in mass conservation equation for fluid flow. Formation enthalpy of all species is included in the law of energy conservation as a source-sink term. Finite element methods are used to discretize the governing equations. Numerical experiments are presented to examine the accuracy and robustness of the proposed model. The results demonstrate the feasibility and capability of present model in subsurface media.

  9. Transport properties of supercooled confined water

    NASA Astrophysics Data System (ADS)

    Mallamace, F.; Branca, C.; Broccio, M.; Corsaro, C.; Gonzalez-Segredo, N.; Spooren, J.; Stanley, H. E.; Chen, S.-H.

    2008-07-01

    This article presents an overview of recent experiments performed on transport properties of water in the deeply supercooled region, a temperature region of fundamental importance in the science of water. We report data of nuclear magnetic resonance, quasi-elastic neutron scattering, Fourier-transform infrared spectroscopy, and Raman spectroscopy, studying water confined in nanometer-scale environments. When contained within small pores, water does not crystallise, and can be supercooled well below its homogeneous nucleation temperature Th. On this basis it is possible to carry out a careful analysis of the well known thermodynamical anomalies of water. Studying the temperature and pressure dependencies of water dynamics, we show that the liquid-liquid phase transition (LLPT) hypothesis represents a reliable model for describing liquid water. In this model, water in the liquid state is a mixture of two different local structures, characterised by different densities, namely the low density liquid (LDL) and the high-density liquid (HDL). The LLPT line should terminate at a special transition point: a low-T liquid-liquid critical point. We discuss the following experimental findings on liquid water: (i) a crossover from non-Arrhenius behaviour at high T to Arrhenius behaviour at low T in transport parameters; (ii) a breakdown of the Stokes-Einstein relation; (iii) the existence of a Widom line, which is the locus of points corresponding to maximum correlation length in the p-T phase diagram and which ends in the liquid-liquid critical point; (iv) the direct observation of the LDL phase; (v) a minimum in the density at approximately 70 K below the temperature of the density maximum. In our opinion these results represent the experimental proofs of the validity of the LLPT hypothesis.

  10. Coupling of volatile transport and internal heat flow on Triton

    NASA Technical Reports Server (NTRS)

    Brown, Robert H.; Kirk, Randolph L.

    1994-01-01

    Recently Brown et al. (1991) showed that Triton's internal heat source could amount to 5-20% of the absorbed insolation on Triton, thus significantly affecting volatile transport and atmospheric pressure. Subsequently, Kirk and Brown (1991a) used simple analytical models of the effect of internal heat on the distribution of volatiles on Triton's surface, confirming the speculation of Brown et al. that Triton's internal heat flow could strongly couple to the surface volatile distribution. To further explore this idea, we present numerical models of the permanent distribution of nitrogen ice on Triton that include the effects of sunlight, the two-dimensional distribution of internal heat flow, the coupling of internal heat flow to the surface distribution of nitrogen ice, and the finite viscosity of nitrogen ice. From these models we conclude that: (1) The strong vertical thermal gradient induced in Triton's polar caps by internal heat-flow facilitates viscous spreading to lower latitudes, thus opposing the poleward transport of volatiles by sunlight, and, for plausible viscosities and nitrogen inventories, producing permanent caps of considerable latitudinal extent; (2) It is probable that there is a strong coupling between the surface distribution of nitrogen ice on Triton and internal heat flow; (3) Asymmetries in the spatial distribution of Triton's heat flow, possibly driven by large-scale, volcanic activity or convection in Triton's interior, can result in permanent polar caps of unequal latitudinal extent, including the case of only one permanent polar cap; (4) Melting at the base of a permanent polar cap on Triton caused by internal heat flow can significantly enhance viscous spreading, and, as an alternative to the solid-state greenhouse mechanism proposed by Brown et al. (1990), could provide the necessary energy, fluids, and/or gases to drive Triton's geyser-like plumes; (5) The atmospheric collapse predicted to occur on Triton in the next 20 years

  11. Water transport control in carbon nanotube arrays

    PubMed Central

    2014-01-01

    Based on a recent scaling law of the water mobility under nanoconfined conditions, we envision novel strategies for precise modulation of water diffusion within membranes made of carbon nanotube arrays (CNAs). In a first approach, the water diffusion coefficient D may be tuned by finely controlling the size distribution of the pore size. In the second approach, D can be varied at will by means of externally induced electrostatic fields. Starting from the latter strategy, switchable molecular sieves are proposed, where membranes are properly designed with sieving and permeation features that can be dynamically activated/deactivated. Areas where a precise control of water transport properties is beneficial range from energy and environmental engineering up to nanomedicine. PMID:25313305

  12. Novel macrocyclic carriers for proton-coupled liquid membrane transport

    SciTech Connect

    Lamb, J.D.

    1991-06-10

    The objective of our research program is to elucidate the chemical principles which are responsible for the cation selectivity and permeability of liquid membranes containing macrocyclic carriers. Several new macrocyclic carriers were synthesized during the last three year period, including selenium-containing macrocycles, new crown-4 structures, and several new crown structures containing nitrogen based heterocycles as substituents in the principal macrocyclic ring. The cation binding properties of these macrocycles were investigated by potentiometric titration, calorimetric titration, solvent extraction, and NMR techniques. In addition, hydrophobic macrocycles were incorporated into dual hollow fiber membrane systems to investigate their membrane performance, especially in the proton-coupled transport mode. It was found that the dual hollow fiber system maintains the cation selectivity and permeability of supported liquid membranes, while enhancing membrane stability. The diffusion limited transport model was expanded to account for membrane solvent effects. Furthermore, Eu{sup 2+} transport was found to be similar to that of strontium and much higher than that of the lanthanides, in supported liquid membrane systems.

  13. Coupled ER to Golgi Transport Reconstituted with Purified Cytosolic Proteins

    PubMed Central

    Barlowe, Charles

    1997-01-01

    A cell-free vesicle fusion assay that reproduces a subreaction in transport of pro-α-factor from the ER to the Golgi complex has been used to fractionate yeast cytosol. Purified Sec18p, Uso1p, and LMA1 in the presence of ATP and GTP satisfies the requirement for cytosol in fusion of ER-derived vesicles with Golgi membranes. Although these purified factors are sufficient for vesicle docking and fusion, overall ER to Golgi transport in yeast semi-intact cells depends on COPII proteins (components of a membrane coat that drive vesicle budding from the ER). Thus, membrane fusion is coupled to vesicle formation in ER to Golgi transport even in the presence of saturating levels of purified fusion factors. Manipulation of the semi-intact cell assay is used to distinguish freely diffusible ER- derived vesicles containing pro-α-factor from docked vesicles and from fused vesicles. Uso1p mediates vesicle docking and produces a dilution resistant intermediate. Sec18p and LMA1 are not required for the docking phase, but are required for efficient fusion of ER- derived vesicles with the Golgi complex. Surprisingly, elevated levels of Sec23p complex (a subunit of the COPII coat) prevent vesicle fusion in a reversible manner, but do not interfere with vesicle docking. Ordering experiments using the dilution resistant intermediate and reversible Sec23p complex inhibition indicate Sec18p action is required before LMA1 function. PMID:9382859

  14. Two-Dimensional Ground Water Transport

    Energy Science and Technology Software Center (ESTSC)

    1992-03-05

    FRACFLO computes the two-dimensional, space, time dependent, convective dispersive transport of a single radionuclide in an unbounded single or multiple parallel fracture system with constant aperture. It calculates the one-dimensional diffusive transport into the rock matrix as well as the mass flux and cumulative mass flux at any point in the fracture. Steady-state isothermal ground water flow and parallel streamlines are assumed in the fracture, and the rock matrix is considered to be fully saturatedmore » with immobile water. The model can treat a single or multiple finite patch source or a Gaussian distributed source subject to a step or band release mode.« less

  15. Coupled Eulerian-Lagrangian transport of large debris by tsunamis

    NASA Astrophysics Data System (ADS)

    Conde, Daniel A. S.; Ferreira, Rui M. L.; Sousa Oliveira, Carlos

    2016-04-01

    Tsunamis are notorious for the large disruption they can cause on coastal environments, not only due to the imparted momentum of the incoming wave but also due to its capacity to transport large quantities of solid debris, either from natural or human-made sources, over great distances. A 2DH numerical model under development at CERIS-IST (Ferreira et al., 2009; Conde, 2013) - STAV2D - capable of simulating solid transport in both Eulerian and Lagrangian paradigms will be used to assess the relevance of Lagrangian-Eulerian coupling when modelling the transport of solid debris by tsunamis. The model has been previously validated and applied to tsunami scenarios (Conde, 2013), being well-suited for overland tsunami propagation and capable of handling morphodynamic changes in estuaries and seashores. The discretization scheme is an explicit Finite Volume technique employing flux-vector splitting and a reviewed Roe-Riemann solver. Source term formulations are employed in a semi-implicit way, including the two-way coupling of the Lagrangian and Eulerian solvers by means of conservative mass and momentum transfers between fluid and solid phases. The model was applied to Sines Port, a major commercial port in Portugal, where two tsunamigenic scenarios are considered: an 8.5 Mw scenario, consistent with the Great Lisbon Earthquake and Tsunami of the 1st November 1755 (Baptista, 2009), and an hypothetical 9.5 Mw worst-case scenario based on the same historical event. Open-ocean propagation of these scenarios were simulated with GeoClaw model from ClawPack (Leveque, 2011). Following previous efforts on the modelling of debris transport by tsunamis in seaports (Conde, 2015), this work discusses the sensitivity of the obtained results with respect to the phenomenological detail of the employed Eulerian-Lagrangian formulation and the resolution of the mesh used in the Eulerian solver. The results have shown that the fluid to debris mass ratio is the key parameter regarding the

  16. Mechanism of isotonic water transport in glands.

    PubMed

    Ussing, H H; Eskesen, K

    1989-07-01

    Since water and electrolytes pass cell membranes via separate channels, there can be no interactions in the membranes, and osmotic interactions between water and solutes can be expressed as the product of solute flux, frictional coefficient of solute, and length of pathway. It becomes clear that isotonic transport via a cell is impossible. In glands, where cation-selective junctions impede anion flux between the cells, isotonic water transport is only possible if sodium, after having passed the junction, is reabsorbed in the acinus and returned to the serosal side. Thus it can be recycled via the cation-selective junction and exert its drag on water more than once. This hypothesis was tested on frog skin glands. Skins were mounted in flux chambers with identical Ringer solutions on both sides. Na channels of the principal cells were closed with amiloride in the outside solution, and secretion stimulated with noradrenaline in the inside solution. Influx and efflux of Na, K and Br (used as tracer for Cl) were measured on paired half-skins during the constant-secretion phase. Flux ratios for both Na and K were higher than expected for electrodiffusion, indicating outgoing solvent drag. Flux ratios for K were much higher than those for Na. This is an agreement with the concept that Na is reabsorbed in the acinus and K is not. Two independent expressions for the degree of sodium recycling are developed. Under all experimental conditions these expressions give values for the recycling which are in good agreement. PMID:2473601

  17. Coherent transport of nanowire surface plasmons coupled to quantum dots.

    PubMed

    Chen, Wei; Chen, Guang-Yin; Chen, Yueh-Nan

    2010-05-10

    The coherent transport of surface plasmons with nonlinear dispersion relations on a metal nanowire coupled to two-level emitters is investigated theoretically. Real-space Hamiltonians are used to obtain the transmission and reflection spectra of the surface plasmons. For the single-dot case, we find that the scattering spectra can show completely different features due to the non-linear quadratic dispersion relation. For the double-dot case, we obtain the interference behavior in transmission and reflection spectra, similar to that in resonant tunneling through a double-barrier potential. Moreover, Fano-like line shape of the transmission spectrum is obtained due to the quadratic dispersion relation. All these peculiar behaviors indicate that the dot-nanowire system provides a onedimensional platform to demonstrate the bandgap feature widely observed in photonic crystals. PMID:20588891

  18. Transport of organelles by elastically coupled motor proteins.

    PubMed

    Bhat, Deepak; Gopalakrishnan, Manoj

    2016-07-01

    Motor-driven intracellular transport is a complex phenomenon where multiple motor proteins simultaneously attached on to a cargo engage in pulling activity, often leading to tug-of-war, displaying bidirectional motion. However, most mathematical and computational models ignore the details of the motor-cargo interaction. A few studies have focused on more realistic models of cargo transport by including elastic motor-cargo coupling, but either restrict the number of motors and/or use purely phenomenological forms for force-dependent hopping rates. Here, we study a generic model in which N motors are elastically coupled to a cargo, which itself is subjected to thermal noise in the cytoplasm and to an additional external applied force. The motor-hopping rates are chosen to satisfy detailed balance with respect to the energy of elastic stretching. With these assumptions, an (N + 1) -variable master equation is constructed for dynamics of the motor-cargo complex. By expanding the hopping rates to linear order in fluctuations in motor positions, we obtain a linear Fokker-Planck equation. The deterministic equations governing the average quantities are separated out and explicit analytical expressions are obtained for the mean velocity and diffusion coefficient of the cargo. We also study the statistical features of the force experienced by an individual motor and quantitatively characterize the load-sharing among the cargo-bound motors. The mean cargo velocity and the effective diffusion coefficient are found to be decreasing functions of the stiffness. While the increase in the number of motors N does not increase the velocity substantially, it decreases the effective diffusion coefficient which falls as 1/N asymptotically. We further show that the cargo-bound motors share the force exerted on the cargo equally only in the limit of vanishing elastic stiffness; as stiffness is increased, deviations from equal load sharing are observed. Numerical simulations agree with

  19. Coupling of hydrologic transport and chemical reactions in a stream affected by acid mine drainage

    USGS Publications Warehouse

    Kimball, B.A.; Broshears, R.E.; Bencala, K.E.; McKnight, Diane M.

    1994-01-01

    Experiments in St. Kevin Gulch, an acid mine drainage stream, examined the coupling of hydrologic transport to chemical reactions affecting metal concentrations. Injection of LiCl as a conservative tracer was used to determine discharge and residence time along a 1497-m reach. Transport of metals downstream from inflows of acidic, metal-rich water was evaluated based on synoptic samples of metal concentrations and the hydrologic characteristics of the stream. Transport of SO4 and Mn was generally conservative, but in the subreaches most affected by acidic inflows, transport was reactive. Both 0.1-??m filtered and particulate Fe were reactive over most of the stream reach. Filtered Al partitioned to the particulate phase in response to high instream concentrations. Simulations that accounted for the removal of SO4, Mn, Fe, and Al with first-order reactions reproduced the steady-state profiles. The calculated rate constants for net removal used in the simulations embody several processes that occur on a stream-reach scale. The comparison between rates of hydrologie transport and chemical reactions indicates that reactions are only important over short distances in the stream near the acidic inflows, where reactions occur on a comparable time scale with hydrologic transport and thus affect metal concentrations.

  20. Electron transport analysis in water vapor

    NASA Astrophysics Data System (ADS)

    Kawaguchi, Satoru; Takahashi, Kazuhiro; Satoh, Kohki; Itoh, Hidenori

    2016-07-01

    A reliable set of electron collision cross sections for water vapor, including elastic, rotational, vibrational, and electronic excitation, electron attachment, and ionization cross sections, is estimated by the electron swarm method. In addition, anisotropic electron scattering for elastic and rotational excitation collisions is considered in the cross section set. Electron transport coefficients such as electron drift velocity, longitudinal diffusion coefficient, and effective ionization coefficient are calculated from the cross section set by Monte Carlo simulation in a wide range of E/N values, where E and N are the applied electric field and the number density of H2O molecules, respectively. The calculated transport coefficients are in good agreement with those measured. The obtained results confirm that the anisotropic electron scattering is important for the calculation at low E/N values. Furthermore, the cross section set assuming the isotropic electron scattering is proposed for practical use.

  1. Generic Procedure for Coupling the PHREEQC Geochemical Modeling Framework with Flow and Solute Transport Simulators

    NASA Astrophysics Data System (ADS)

    Wissmeier, L. C.; Barry, D. A.

    2009-12-01

    Computer simulations of water availability and quality play an important role in state-of-the-art water resources management. However, many of the most utilized software programs focus either on physical flow and transport phenomena (e.g., MODFLOW, MT3DMS, FEFLOW, HYDRUS) or on geochemical reactions (e.g., MINTEQ, PHREEQC, CHESS, ORCHESTRA). In recent years, several couplings between both genres of programs evolved in order to consider interactions between flow and biogeochemical reactivity (e.g., HP1, PHWAT). Software coupling procedures can be categorized as ‘close couplings’, where programs pass information via the memory stack at runtime, and ‘remote couplings’, where the information is exchanged at each time step via input/output files. The former generally involves modifications of software codes and therefore expert programming skills are required. We present a generic recipe for remotely coupling the PHREEQC geochemical modeling framework and flow and solute transport (FST) simulators. The iterative scheme relies on operator splitting with continuous re-initialization of PHREEQC and the FST of choice at each time step. Since PHREEQC calculates the geochemistry of aqueous solutions in contact with soil minerals, the procedure is primarily designed for couplings to FST’s for liquid phase flow in natural environments. It requires the accessibility of initial conditions and numerical parameters such as time and space discretization in the input text file for the FST and control of the FST via commands to the operating system (batch on Windows; bash/shell on Unix/Linux). The coupling procedure is based on PHREEQC’s capability to save the state of a simulation with all solid, liquid and gaseous species as a PHREEQC input file by making use of the dump file option in the TRANSPORT keyword. The output from one reaction calculation step is therefore reused as input for the following reaction step where changes in element amounts due to advection

  2. Coupling methodology and application of a fully integrated model for contaminant transport in the subsurface system

    NASA Astrophysics Data System (ADS)

    Zhu, Yan; Shi, Liangsheng; Yang, Jinzhong; Wu, Jingwei; Mao, Deqiang

    2013-09-01

    An efficient integrated modeling approach is developed to simulate the contaminant transport in the subsurface system. The unsaturated zone is divided into a number of horizontal sub-areas according to the atmospheric boundary conditions, land use types and hydrological conditions. Solute migration through the unsaturated zone of each sub-area is assumed to be vertical and can be represented by the one-dimensional advection-dispersion equation, which is then coupled to the three-dimensional advection-dispersion equation representing the subsequent groundwater transport. The finite element method is adopted to discretize the vertical solute equation, while the hybrid finite element and finite difference method is used to discretize the three-dimensional saturated solute transport equation, which is split into the horizontal and vertical equations based on the concept of the horizontal/vertical splitting. The unsaturated and saturated solute transport equations are combined into a unified matrix by the mass balance analysis for the adjacent nodes located at the one-dimensional soil column and at the water table. Two hypothetical cases and two field cases are simulated to test the validity of the model with the results compared with those from HYDRUS-1D, SWMS2D and the measured data. The limitations of the model are discussed as well. The analysis of the four cases demonstrates that the proposed model can calculate the water flow and solute transport reasonably even with complex boundary and variable topography conditions. It also shows that the model is efficient to simulate the water flow and solute transport in regional-scale areas with small computational costs. However, the model will lose accuracy when the lateral dispersion effect is dominant in the unsaturated zone.

  3. Modeling coupled nanoparticle aggregation and transport in porous media: A Lagrangian approach

    NASA Astrophysics Data System (ADS)

    Taghavy, Amir; Pennell, Kurt D.; Abriola, Linda M.

    2015-01-01

    Changes in nanoparticle size and shape due to particle-particle interactions (i.e., aggregation or agglomeration) may significantly alter particle mobility and retention in porous media. To date, however, few modeling studies have considered the coupling of transport and particle aggregation processes. The majority of particle transport models employ an Eulerian modeling framework and are, consequently, limited in the types of collisions and aggregate sizes that can be considered. In this work, a more general Lagrangian modeling framework is developed and implemented to explore coupled nanoparticle aggregation and transport processes. The model was verified through comparison of model simulations to published results of an experimental and Eulerian modeling study (Raychoudhury et al., 2012) of carboxymethyl cellulose (CMC)-modified nano-sized zero-valent iron particle (nZVI) transport and retention in water-saturated sand columns. A model sensitivity analysis reveals the influence of influent particle concentration (ca. 70 to 700 mg/L), primary particle size (10-100 nm) and pore water velocity (ca. 1-6 m/day) on particle-particle, and, consequently, particle-collector interactions. Model simulations demonstrate that, when environmental conditions promote particle-particle interactions, neglecting aggregation effects can lead to under- or over-estimation of nanoparticle mobility. Results also suggest that the extent to which higher order particle-particle collisions influence aggregation kinetics will increase with the fraction of primary particles. This work demonstrates the potential importance of time-dependent aggregation processes on nanoparticle mobility and provides a numerical model capable of capturing/describing these interactions in water-saturated porous media.

  4. An interpretation of some whole plant water transport phenomena.

    PubMed

    Fiscus, E L; Klute, A; Kaufmann, M R

    1983-04-01

    A treatment of water flow into and through plants to the evaporating surface of the leaves is presented. The model is driven by evaporation from the cell wall matrix of the leaves. The adsorptive and pressure components of the cell wall matric potential are analyzed and the continuity between the pressure component and the liquid tension in the xylem established. Continuity of these potential components allows linking of a root transport function, driven by the tension in the xylem, to the leaf water potential. The root component of the overall model allows for the solvent-solute interactions characteristic of a membrane-bound system and discussion of the interactions of environmental variables such as root temperature and soil water potentials. A partition function is developed from data in the literature which describes how water absorbed by the plant might be divided between transpiration and leaf growth over a range of leaf water potentials.Relationships between the overall system conductance and the conductance coefficients of the various plant parts (roots, xylem, leaf matrix) are established and the influence of each of these discussed.The whole plant flow model coupled to the partition function is used to simulate several possible relationships between leaf water potential and transpiration rate. The effects of changing some of the partition function coefficients, as well as the root medium water potential on these simulations is illustrated.In addition to the general usefulness of the model and its ability to describe a wide range of situations, we conclude that the relationships used, dealing with bulk fluid flow, diffusion, and solute transport, are adequate to describe the system and that analogically based theoretical systems, such as the Ohm's law analogy, probably ought to be abandoned for this purpose. PMID:16662912

  5. An Interpretation of Some Whole Plant Water Transport Phenomena

    PubMed Central

    Fiscus, Edwin L.; Klute, Arnold; Kaufmann, Merrill R.

    1983-01-01

    A treatment of water flow into and through plants to the evaporating surface of the leaves is presented. The model is driven by evaporation from the cell wall matrix of the leaves. The adsorptive and pressure components of the cell wall matric potential are analyzed and the continuity between the pressure component and the liquid tension in the xylem established. Continuity of these potential components allows linking of a root transport function, driven by the tension in the xylem, to the leaf water potential. The root component of the overall model allows for the solvent-solute interactions characteristic of a membrane-bound system and discussion of the interactions of environmental variables such as root temperature and soil water potentials. A partition function is developed from data in the literature which describes how water absorbed by the plant might be divided between transpiration and leaf growth over a range of leaf water potentials. Relationships between the overall system conductance and the conductance coefficients of the various plant parts (roots, xylem, leaf matrix) are established and the influence of each of these discussed. The whole plant flow model coupled to the partition function is used to simulate several possible relationships between leaf water potential and transpiration rate. The effects of changing some of the partition function coefficients, as well as the root medium water potential on these simulations is illustrated. In addition to the general usefulness of the model and its ability to describe a wide range of situations, we conclude that the relationships used, dealing with bulk fluid flow, diffusion, and solute transport, are adequate to describe the system and that analogically based theoretical systems, such as the Ohm's law analogy, probably ought to be abandoned for this purpose. PMID:16662912

  6. Regulated traffic of anion transporters in mammalian Brunner's glands: a role for water and fluid transport

    PubMed Central

    Collaco, Anne M.; Jakab, Robert L.; Hoekstra, Nadia E.; Mitchell, Kisha A.; Brooks, Amos

    2013-01-01

    The Brunner's glands of the proximal duodenum exert barrier functions through secretion of glycoproteins and antimicrobial peptides. However, ion transporter localization, function, and regulation in the glands are less clear. Mapping the subcellular distribution of transporters is an important step toward elucidating trafficking mechanisms of fluid transport in the gland. The present study examined 1) changes in the distribution of intestinal anion transporters and the aquaporin 5 (AQP5) water channel in rat Brunner's glands following second messenger activation and 2) anion transporter distribution in Brunner's glands from healthy and disease-affected human tissues. Cystic fibrosis transmembrane conductance regulator (CFTR), AQP5, sodium-potassium-coupled chloride cotransporter 1 (NKCC1), sodium-bicarbonate cotransporter (NBCe1), and the proton pump vacuolar ATPase (V-ATPase) were localized to distinct membrane domains and in endosomes at steady state. Carbachol and cAMP redistributed CFTR to the apical membrane. cAMP-dependent recruitment of CFTR to the apical membrane was accompanied by recruitment of AQP5 that was reversed by a PKA inhibitor. cAMP also induced apical trafficking of V-ATPase and redistribution of NKCC1 and NBCe1 to the basolateral membranes. The steady-state distribution of AQP5, CFTR, NBCe1, NKCC1, and V-ATPase in human Brunner's glands from healthy controls, cystic fibrosis, and celiac disease resembled that of rat; however, the distribution profiles were markedly attenuated in the disease-affected duodenum. These data support functional transport of chloride, bicarbonate, water, and protons by second messenger-regulated traffic in mammalian Brunner's glands under physiological and pathophysiological conditions. PMID:23744739

  7. Endothelin and Renal Ion and Water Transport

    PubMed Central

    Speed, Joshua S.; Fox, Brandon M.; Johnston, Jermaine G.; Pollock, David M.

    2015-01-01

    The renal tubular epithelial cells produce more endothelin-1 (ET-1) than any other cell type in the body. Moving down the nephron, the amount of ET-1 produced appears fairly consistent until reaching the inner medullary collecting duct, which produces at least 10 times more ET-1 than any other segment. ET-1 inhibits Na+ transport in all parts of the nephron through activation of the ETB receptor, and to a minor extent, the ETA receptor. These effects are most prominent in the collecting duct where ETB receptor activation inhibits activity of the epithelial Na+ channel. Effects in other parts of the nephron include inhibition of Na+/H+ exchange in the proximal tubule and the Na+, K+, 2Cl− co-transporter in the thick ascending limb. In general, the renal epithelial ET-1 system is an integral part of the body’s response to a high salt intake in order to maintain homeostasis and normal blood pressure. Loss of ETB receptor function results in salt sensitive hypertension. The goal of this article is to review the role of renal ET-1 and how it affects Na+ and water transport throughout the nephron. PMID:25966345

  8. Mesoscopic modeling of liquid water transport in polymer electrolyte fuel cells

    SciTech Connect

    Mukherjee, Partha P; Wang, Chao Yang

    2008-01-01

    A key performance limitation in polymer electrolyte fuel cells (PEFC), manifested in terms of mass transport loss, originates from liquid water transport and resulting flooding phenomena in the constituent components. Liquid water leads to the coverage of the electrochemically active sites in the catalyst layer (CL) rendering reduced catalytic activity and blockage of the available pore space in the porous CL and fibrous gas diffusion layer (GDL) resulting in hindered oxygen transport to the active reaction sites. The cathode CL and the GDL therefore playa major role in the mass transport loss and hence in the water management of a PEFC. In this article, we present the development of a mesoscopic modeling formalism coupled with realistic microstructural delineation to study the profound influence of the pore structure and surface wettability on liquid water transport and interfacial dynamics in the PEFC catalyst layer and gas diffusion layer.

  9. Coupled Deterministic-Monte Carlo Transport for Radiation Portal Modeling

    SciTech Connect

    Smith, Leon E.; Miller, Erin A.; Wittman, Richard S.; Shaver, Mark W.

    2008-01-14

    Radiation portal monitors are being deployed, both domestically and internationally, to detect illicit movement of radiological materials concealed in cargo. Evaluation of the current and next generations of these radiation portal monitor (RPM) technologies is an ongoing process. 'Injection studies' that superimpose, computationally, the signature from threat materials onto empirical vehicle profiles collected at ports of entry, are often a component of the RPM evaluation process. However, measurement of realistic threat devices can be both expensive and time-consuming. Radiation transport methods that can predict the response of radiation detection sensors with high fidelity, and do so rapidly enough to allow the modeling of many different threat-source configurations, are a cornerstone of reliable evaluation results. Monte Carlo methods have been the primary tool of the detection community for these kinds of calculations, in no small part because they are particularly effective for calculating pulse-height spectra in gamma-ray spectrometers. However, computational times for problems with a high degree of scattering and absorption can be extremely long. Deterministic codes that discretize the transport in space, angle, and energy offer potential advantages in computational efficiency for these same kinds of problems, but the pulse-height calculations needed to predict gamma-ray spectrometer response are not readily accessible. These complementary strengths for radiation detection scenarios suggest that coupling Monte Carlo and deterministic methods could be beneficial in terms of computational efficiency. Pacific Northwest National Laboratory and its collaborators are developing a RAdiation Detection Scenario Analysis Toolbox (RADSAT) founded on this coupling approach. The deterministic core of RADSAT is Attila, a three-dimensional, tetrahedral-mesh code originally developed by Los Alamos National Laboratory, and since expanded and refined by Transpire, Inc. [1

  10. Neutron Transport Models and Methods for HZETRN and Coupling to Low Energy Light Ion Transport

    NASA Technical Reports Server (NTRS)

    Blattnig, S.R.; Slaba, T.C.; Heinbockel, J.H.

    2008-01-01

    Exposure estimates inside space vehicles, surface habitats, and high altitude aircraft exposed to space radiation are highly influenced by secondary neutron production. The deterministic transport code HZETRN has been identified as a reliable and efficient tool for such studies, but improvements to the underlying transport models and numerical methods are still necessary. In this paper, the forward-backward (FB) and directionally coupled forward-backward (DC) neutron transport models are derived, numerical methods for the FB model are reviewed, and a computationally efficient numerical solution is presented for the DC model. Both models are compared to the Monte Carlo codes HETCHEDS and FLUKA, and the DC model is shown to agree closely with the Monte Carlo results. Finally, it is found in the development of either model that the decoupling of low energy neutrons from the light ion (A<4) transport procedure adversely affects low energy light ion fluence spectra and exposure quantities. A first order correction is presented to resolve the problem, and it is shown to be both accurate and efficient.

  11. Radionuclide transport coupled with bentonite extrusion in a saturated fracture system

    NASA Astrophysics Data System (ADS)

    Borrelli, Robert Angelo

    The study in this dissertation focuses on the characterization of radionuclide migration in a water saturated fracture. The near field of a high level radioactive waste repository contains the engineered barrier system, which provides manufactured components designed to limit radionuclide releases to the environment. A major component in this system involves the utilization of bentonite as a buffer to protect the degraded waste package and limit release of radionuclides into intersecting fractures that pose possible pathways for transport to the environment. A model is derived for radionuclide migration through this fracture. The model incorporates the features of bentonite: extrusion into the fracture, sorption, and the effect of bentonite swelling on groundwater flow. The resulting derivation of this model is a coupled system of differential equations. The differential equation describing the mass conservation of radionuclides is coupled to the equation system for bentonite extrusion. The models are coupled through the parameters in the radionuclide transport model, which are dependent on the spatial distribution of solid material in the domain. Numerical evaluations of the solution to this radionuclide transport model were conducted for neptunium, a weakly sorbing radionuclide and americium, a strongly sorbing radionuclide. Results were presented in terms normalized spatial distribution of radionuclide concentration in the fluid phase and normalized radionuclide release rate in the fluid phase. Major findings of the study conducted for this dissertation are provided. (1) Bentonite extrusion affects fluid phase advection resulting in groundwater flow countercurrent to the direction of extrusion to the direction of radionuclide migration. (2) The sorption distribution coefficient is the most important parameter affecting radionuclide behavior in this system for this model. (3) Simulations of the model for americium, a highly sorbing radionuclide, indicate that

  12. Long-term modeling of alteration-transport coupling: Application to a fractured Roman glass

    NASA Astrophysics Data System (ADS)

    Verney-Carron, Aurélie; Gin, Stéphane; Frugier, Pierre; Libourel, Guy

    2010-04-01

    To improve confidence in glass alteration models, as used in nuclear and natural applications, their long-term predictive capacity has to be validated. For this purpose, we develop a new model that couples geochemical reactions with transport and use a fractured archaeological glass block that has been altered for 1800 years under well-constrained conditions in order to test the capacity of the model. The chemical model considers three steps in the alteration process: (1) formation of a hydrated glass by interdiffusion, whose kinetics are controlled by a pH and temperature dependent diffusion coefficient; (2) the dissolution of the hydrated glass, whose kinetics are based on an affinity law; (3) the precipitation of secondary phases if thermodynamic saturation is reached. All kinetic parameters were determined from experiments. The model was initially tested on alteration experiments in different solutions (pure water, Tris, seawater). It was then coupled with diffusive transport in solution to simulate alteration in cracks within the glass. Results of the simulations run over 1800 years are in good agreement with archaeological glass block observations concerning the nature of alteration products (hydrated glass, smectites, and carbonates) and crack alteration thicknesses. External cracks in direct contact with renewed seawater were altered at the forward dissolution rate and are filled with smectites (400-500 μm). Internal cracks are less altered (by 1 or 2 orders of magnitude) because of the strong coupling between alteration chemistry and transport. The initial crack aperture, the distance to the surface, and sealing by secondary phases account for these low alteration thicknesses. The agreement between simulations and observations thus validates the predictive capacity of this coupled geochemical model and increases more generally the robustness and confidence in glass alteration models to predict long-term behavior of nuclear waste in geological disposal or

  13. Water governance across competing scales: Coupling land and water management

    NASA Astrophysics Data System (ADS)

    Daniell, Katherine A.; Barreteau, Olivier

    2014-11-01

    Water governance is becoming an increasingly important area of study for hydrologists, as the impacts of human decisions on water flows and their various management scales are recognised. Hydrology has long tackled issues of water flow and quality across basins-from rain to soil and sub-soil, from upstream to downstream, between surface water and groundwater systems, and through interlinked watersheds-with the understanding that these stocks and flows can be modified en-route due to the actions of people, including through organised water management and governance processes. In this setting, one common aim of water governance is to develop management processes and infrastructure systems that can control hydrological variability at different levels of spatial and temporal scales. For example, water storages, distribution systems and drainage networks are developed for long-term seasonal and inter-decadal variability-in the case of large dams and irrigation systems-as well as shorter-term variability, such as flooding events, that may take place over hours (e.g. urban flash floods), days (e.g. catchment-based river flooding) or months (e.g. basin-wide flood-plain inundation events). Particularly when looking at water supply issues, water allocation rules are elaborated and negotiated in order to provide water to people when and where they most need it, rather than when and where it would naturally be available.

  14. CFEST Coupled Flow, Energy & Solute Transport Version CFEST005 User’s Guide

    SciTech Connect

    Freedman, Vicky L.; Chen, Yousu; Gilca, Alex; Cole, Charles R.; Gupta, Sumant K.

    2006-07-20

    The CFEST (Coupled Flow, Energy, and Solute Transport) simulator described in this User’s Guide is a three-dimensional finite-element model used to evaluate groundwater flow and solute mass transport. Confined and unconfined aquifer systems, as well as constant and variable density fluid flows can be represented with CFEST. For unconfined aquifers, the model uses a moving boundary for the water table, deforming the numerical mesh so that the uppermost nodes are always at the water table. For solute transport, changes in concentra¬tion of a single dissolved chemical constituent are computed for advective and hydrodynamic transport, linear sorption represented by a retardation factor, and radioactive decay. Although several thermal parameters described in this User’s Guide are required inputs, thermal transport has not yet been fully implemented in the simulator. Once fully implemented, transport of thermal energy in the groundwater and solid matrix of the aquifer can also be used to model aquifer thermal regimes. The CFEST simulator is written in the FORTRAN 77 language, following American National Standards Institute (ANSI) standards. Execution of the CFEST simulator is controlled through three required text input files. These input file use a structured format of associated groups of input data. Example input data lines are presented for each file type, as well as a description of the structured FORTRAN data format. Detailed descriptions of all input requirements, output options, and program structure and execution are provided in this User’s Guide. Required inputs for auxillary CFEST utilities that aide in post-processing data are also described. Global variables are defined for those with access to the source code. Although CFEST is a proprietary code (CFEST, Inc., Irvine, CA), the Pacific Northwest National Laboratory retains permission to maintain its own source, and to distribute executables to Hanford subcontractors.

  15. Water transport in graphene nano-channels

    NASA Astrophysics Data System (ADS)

    Wagemann, Enrique; Oyarzua, Elton; Walther, J. H.; Zambrano, Harvey

    2015-11-01

    The transport of water in nanopores is of both fundamental and practical interest. Graphene Channels (GCs) are potential building blocks for nanofluidic devices due to their molecularly smooth walls and exceptional mechanical properties. Numerous studies have found a significant flow rate enhancement, defined as the ratio of the computed flow rate to that predicted from the classical Poiseuille model. Moreover, these studies point to the fact that the flow enhancement is a function of channel height and the fluid-wall physical-chemistry. In spite of the intensive research, an explicit relation between the chirality of the graphene walls and the slip length has not been established. In this study, we perform non-equilibrium molecular dynamics simulations of water flow in single- and multi-walled GCs. We examine the influence on the flow rates of dissipating the viscous heat produced by connecting the thermostat to the water molecules, the CNT wall atoms or both of them. From the atomic trajectories, we compute the fluid flow rates in GCs with zig-zag and armchair walls, heights from 1 to 4 nm and different number of graphene layers on the walls. A relation between the chirality, slip length, and flow enhancement is found. We aknowledge partial support from Fondecyt project 11130559 and Redoc udec.

  16. Development of a three-dimensional, regional, coupled wave, current, and sediment-transport model

    USGS Publications Warehouse

    Warner, J.C.; Sherwood, C.R.; Signell, R.P.; Harris, C.K.; Arango, H.G.

    2008-01-01

    We are developing a three-dimensional numerical model that implements algorithms for sediment transport and evolution of bottom morphology in the coastal-circulation model Regional Ocean Modeling System (ROMS v3.0), and provides a two-way link between ROMS and the wave model Simulating Waves in the Nearshore (SWAN) via the Model-Coupling Toolkit. The coupled model is applicable for fluvial, estuarine, shelf, and nearshore (surfzone) environments. Three-dimensional radiation-stress terms have been included in the momentum equations, along with effects of a surface wave roller model. The sediment-transport algorithms are implemented for an unlimited number of user-defined non-cohesive sediment classes. Each class has attributes of grain diameter, density, settling velocity, critical stress threshold for erosion, and erodibility constant. Suspended-sediment transport in the water column is computed with the same advection-diffusion algorithm used for all passive tracers and an additional algorithm for vertical settling that is not limited by the CFL criterion. Erosion and deposition are based on flux formulations. A multi-level bed framework tracks the distribution of every size class in each layer and stores bulk properties including layer thickness, porosity, and mass, allowing computation of bed morphology and stratigraphy. Also tracked are bed-surface properties including active-layer thickness, ripple geometry, and bed roughness. Bedload transport is calculated for mobile sediment classes in the top layer. Bottom-boundary layer submodels parameterize wave-current interactions that enhance bottom stresses and thereby facilitate sediment transport and increase bottom drag, creating a feedback to the circulation. The model is demonstrated in a series of simple test cases and a realistic application in Massachusetts Bay. ?? 2008 Elsevier Ltd. All rights reserved.

  17. Coupled Thermal and Water Management in Polymer-Electrolyte FuelCells

    SciTech Connect

    Weber, Adam Z.; Newman, John

    2006-11-01

    Thermal and water management are intricately coupled in polymer-electrolyte fuel cells. In this paper, we simulate fuel-cell performance and account for nonisothermal phenomena. The transport of water due to a temperature gradient and its associated effects on performance are described, with the increase of reactant dilution by the water-vapor partial pressure being the most dominant. In addition, simulations are undergone to find the optimum operating temperature and maximum power density as a function of external heat-transfer coefficient. The shape of the optimization curves and the magnitudes of the nonisothermal phenomena are also detailed and explained.

  18. 3D multi-scale analysis of coupled heat and moisture transport and its parallel implementation

    NASA Astrophysics Data System (ADS)

    Kruis, Jaroslav

    2016-06-01

    Parallel implementation of two-scale model of coupled heat and moisture transport is described. The coupled heat and moisture transport is based on the Künzel model. Motivation for the two-scale analysis comes from the requirement to describe distribution of the relative humidity and temperature in historical masonry structures.

  19. Coupled transport and reaction kinetics control the nitrate source-sink function of hyporheic zones

    NASA Astrophysics Data System (ADS)

    Zarnetske, Jay P.; Haggerty, Roy; Wondzell, Steven M.; Bokil, Vrushali A.; GonzáLez-Pinzón, Ricardo

    2012-11-01

    The fate of biologically available nitrogen (N) and carbon (C) in stream ecosystems is controlled by the coupling of physical transport and biogeochemical reaction kinetics. However, determining the relative role of physical and biogeochemical controls at different temporal and spatial scales is difficult. The hyporheic zone (HZ), where groundwater-stream water mix, can be an important location controlling N and C transformations because it creates strong gradients in both the physical and biogeochemical conditions that control redox biogeochemistry. We evaluated the coupling of physical transport and biogeochemical redox reactions by linking an advection, dispersion, and residence time model with a multiple Monod kinetics model simulating the concentrations of oxygen (O2), ammonium (NH4), nitrate (NO3), and dissolved organic carbon (DOC). We used global Monte Carlo sensitivity analyses with a nondimensional form of the model to examine coupled nitrification-denitrification dynamics across many scales of transport and reaction conditions. Results demonstrated that the residence time of water in the HZ and the uptake rate of O2 from either respiration and/or nitrification determined whether the HZ was a source or a sink of NO3 to the stream. We further show that whether the HZ is a net NO3 source or net NO3 sink is determined by the ratio of the characteristic transport time to the characteristic reaction time of O2 (i.e., the Damköhler number, DaO2), where HZs with DaO2 < 1 will be net nitrification environments and HZs with DaO2 ≪ 1 will be net denitrification environments. Our coupling of the hydrologic and biogeochemical limitations of N transformations across different temporal and spatial scales within the HZ allows us to explain the widely contrasting results of previous investigations of HZ N dynamics which variously identify the HZ as either a net source or sink of NO3. Our model results suggest that only estimates of residence times and O2uptake rates

  20. Numerical Investigation of Laser Propulsion for Transport in Water Environment

    SciTech Connect

    Han Bing; Li Beibei; Zhang Hongchao; Chen Jun; Shen Zhonghua; Lu Jian; Ni Xiaowu

    2010-10-08

    Problems that cumber the development of the laser propulsion in atmosphere and vacuum are discussed. Based on the theory of interaction between high-intensity laser and materials, as air and water, it is proved that transport in water environment can be impulsed by laser. The process of laser propulsion in water is investigated theoretically and numerically. It shows that not only the laser induced plasma shock wave, but also the laser induced bubble oscillation shock waves and the pressure induced by the collapsing bubble can be used. Many experimental results show that the theory and the numerical results are valid. The numerical result of the contribution of every propulsion source is given in percentage. And the maximum momentum coupling coefficient Cm is given. Laser propulsion in water environment can be applied in many fields. For example, it can provide highly controllable forces of the order of micro-Newton ({mu}N) in microsystems, such as the MEMS (Micro-electromechanical Systems). It can be used as minimally invasive surgery tools of high temporal and spatial resolution. It can be used as the propulsion source in marine survey and exploitation.

  1. Kumada–Grignard-type biaryl couplings on water

    PubMed Central

    Bhattacharjya, Anish; Klumphu, Piyatida; Lipshutz, Bruce H.

    2015-01-01

    Well-established, traditional Kumada cross-couplings involve preformed Grignard reagents in dry ethereal solvent that typically react, e.g., with aryl halides via Pd catalysis to afford products of net substitution. Therefore, in the work described, which appears to be counterintuitive, exposure of these same aromatic halides to catalytic amounts of Pd(II) and excess magnesium metal in pure water leads to symmetrical/unsymmetrical biaryls, indicative of a net Kumada-like biaryl coupling. Evidence is presented suggesting that Grignard reagents, formed in situ in water, may be involved. PMID:26084774

  2. Simulating Sediment Transport Processes in San Francisco Bay Using Coupled Hydrodynamic, Wave, and Sediment Transport Models

    NASA Astrophysics Data System (ADS)

    Bever, A. J.; MacWilliams, M.

    2012-12-01

    Under the conceptual model of sediment transport in San Pablo Bay, a sub-embayment of San Francisco Bay, proposed by Krone (1979), sediment typically enters San Pablo Bay during large winter and spring flows and is redistributed during summer conditions through wind wave resuspension and transport by tidal currents. A detailed understanding of how the waves and tides redistribute sediment within San Francisco Bay is critical for predicting how future sea level rise and a reduction in the sediment supply to the Bay will impact existing marsh and mudflat habitat, tidal marsh restoration projects, and ongoing maintenance dredging of the navigation channels. The three-dimensional UnTRIM San Francisco Bay-Delta Model was coupled with the Simulating WAves Nearshore (SWAN) wave model and the SediMorph morphological model, to develop a three-dimensional hydrodynamic, wind wave, and sediment transport model of the San Francisco Bay and the Sacramento-San Joaquin Delta. Numerical simulations of sediment resuspension due to tidal currents and wind waves and the subsequent transport of this sediment by tidal currents are used to quantify the spatial and temporal variability of sediment fluxes on the extensive shoals in San Pablo Bay under a range of tidal and wind conditions. The results demonstrate that suspended sediment concentration and sediment fluxes within San Pablo Bay are a complex product of tides and waves interacting spatially throughout the Bay, with concentrations responding to local resuspension and sediment advection. Sediment fluxes between the San Pablo Bay shoals and the deeper channel are highest during spring tides, and are elevated for up to a week following wave events, even though the greatest influence of the wave event occurs abruptly.

  3. A coupling kinetics model for pollutant release and transport in the process of landfill settlement.

    PubMed

    Zhao, Ying; Xue, Qiang; Liu, Lei

    2012-10-01

    A coupling kinetics model is developed to simulate the release and transport of landfill leachate pollutants in a deformable municipal solid waste landfill by taking into account of landfill settlement, seepage of leachate water, hydrolyse of insoluble and degradable organic pollutants in solid phase, biodegradation of soluble and degradable organic pollutants in solid phase and aqueous one, growth of aerobic and anaerobic microorganism, and consumption of dissolved oxygen. The release and transport of organic pollutants and microorganisms in landfills in the process of landfill settlement was simulated by considering no hydraulic effect. Simulation results demonstrated that the interaction between landfill settlement and the release, transport and biodegradation of landfill leachate pollutants was significant. Porosity and saturated hydraulic conductivity were not constants because of the landfill settlement, which affected the release, transport and biodegradation of landfill leachate pollutants, and furthermore acted on the landfill settlement. The simulation results accorded with the practical situation, which preliminarily verified the reliability of the mathematical model and the numerical program in this paper. PMID:23202755

  4. Downregulation of mouse intestinal Na(+)-coupled glucose transporter SGLT1 by gum arabic (Acacia Senegal).

    PubMed

    Nasir, Omaima; Artunc, Ferruh; Wang, Kan; Rexhepaj, Rexhep; Föller, Michael; Ebrahim, Ammar; Kempe, Daniela S; Biswas, Raja; Bhandaru, Madhuri; Walter, Michael; Mohebbi, Nilufar; Wagner, Carsten A; Saeed, Amal M; Lang, Florian

    2010-01-01

    Intestinal Na(+)-coupled glucose transporter SGLT1 determines the rate of glucose transport, which in turn influences glucose-induced insulin release and development of obesity. The present study explored effects of Gum Arabic (GA), a dietary polysaccharide from dried exudates of Acacia Senegal, on intestinal glucose transport and body weight in wild-type C57Bl/6 mice. Treatment with GA (100 g/l) in drinking water for four weeks did not affect intestinal SGLT1 transcript levels but decreased SGLT1 protein abundance in jejunal brush border membrane vesicles. Glucose-induced jejunal short-circuit currents revealed that GA treatment decreased electrogenic glucose transport. Drinking a 20% glucose solution for four weeks significantly increased body weight and fasting plasma glucose concentrations, effects significantly blunted by simultaneous treatment with GA. GA further significantly blunted the increase in body weight, fasting plasma glucose and fasting insulin concentrations during high fat diet. In conclusion, the present observations disclose a completely novel effect of gum arabic, i.e. its ability to decrease intestinal SGLT1 expression and activity and thus to counteract glucose-induced obesity. PMID:20110681

  5. A Coupling Kinetics Model for Pollutant Release and Transport in the Process of Landfill Settlement

    PubMed Central

    Zhao, Ying; Xue, Qiang; Liu, Lei

    2012-01-01

    A coupling kinetics model is developed to simulate the release and transport of landfill leachate pollutants in a deformable municipal solid waste landfill by taking into account of landfill settlement, seepage of leachate water, hydrolyse of insoluble and degradable organic pollutants in solid phase, biodegradation of soluble and degradable organic pollutants in solid phase and aqueous one, growth of aerobic and anaerobic microorganism, and consumption of dissolved oxygen. The release and transport of organic pollutants and microorganisms in landfills in the process of landfill settlement was simulated by considering no hydraulic effect. Simulation results demonstrated that the interaction between landfill settlement and the release, transport and biodegradation of landfill leachate pollutants was significant. Porosity and saturated hydraulic conductivity were not constants because of the landfill settlement, which affected the release, transport and biodegradation of landfill leachate pollutants, and furthermore acted on the landfill settlement. The simulation results accorded with the practical situation, which preliminarily verified the reliability of the mathematical model and the numerical program in this paper. PMID:23202755

  6. Vapor Transport Modeling of Continental Water Isotope Gradients

    NASA Astrophysics Data System (ADS)

    Ritch, A. J.; Caves, J. K.; Ibarra, D. E.; Winnick, M. J.; Chamberlain, C. P.

    2015-12-01

    Stable isotopes have been widely used to reconstruct past climatic conditions and topographic histories of mountain belts. However, many studies do not account for the influences of evapotranspiration and vapor recycling on downstream meteoric water isotopic compositions. Here we present a case study of the modern Sierra Nevada and Basin and Range to illustrate the value of using process-based models across larger spatial scales to reconstruct the conditions driving local- to regional-scale water isotopic compositions. We use a one-dimensional reactive vapor transport model, driven by the National Centers for Environmental Prediction (NCEP) high-resolution North American Regional Reanalysis (NARR) dataset, to simulate the isotopic composition of modern meteoric waters (δ18O and δD) along storm tracks across the Sierra Nevada and Basin and Range. Storm track pathways are generated using NOAA's Air Resources Laboratory's Hybrid Single Particle Lagrangian Integrated Trajectory (HYSPLIT) model. In addition, we couple the vapor transport model with a soil moisture model to simulate depth profiles of the oxygen isotopic composition of authigenic carbonate along our storm tracks. We show that, given reasonable estimates of the modern partitioning between evaporation and transpiration, our model output is in agreement with modern isotopic data both from compilations of published meteoric water samples and from newly collected soil carbonate samples along a transect across the northern Sierra Nevada and Basin and Range (~38-42° N). These results demonstrate that our modeling approach can be used to analyze the relative contributions of climate and topography to observed isotopic gradients. Future studies can apply this modeling framework to isotopes preserved in the geologic record to provide a quantitative means of understanding the paleoclimatic influences on spatial isotopic distributions.

  7. How LeuT shapes our understanding of the mechanisms of sodium-coupled neurotransmitter transporters.

    PubMed

    Penmatsa, Aravind; Gouaux, Eric

    2014-03-01

    Neurotransmitter transporters are ion-coupled symporters that drive the uptake of neurotransmitters from neural synapses. In the past decade, the structure of a bacterial amino acid transporter, leucine transporter (LeuT), has given valuable insights into the understanding of architecture and mechanism of mammalian neurotransmitter transporters. Different conformations of LeuT, including a substrate-free state, inward-open state, and competitive and non-competitive inhibitor-bound states, have revealed a mechanistic framework for the transport and transport inhibition of neurotransmitters. The current review integrates our understanding of the mechanistic and pharmacological properties of eukaryotic neurotransmitter transporters obtained through structural snapshots of LeuT. PMID:23878376

  8. Laser coupling with a multimode water-jet waveguide

    NASA Astrophysics Data System (ADS)

    Couty, Philippe; Wagner, Frank R.; Hoffmann, Patrik W.

    2005-06-01

    The coupling of a laser focused into a water microjet is studied. Using a high-power laser, the light guided in the jet is used to process various materials. To explain the observed ablation patterns, the propagation of a low-power and highly coherent laser beam coupled into a laminar water jet is studied. The light of a He-Ne laser (5 mW) is focused into the water jet, which behaves as a multimode waveguide. The distribution of the light intensity in the jet impinging on a glass plate cutting the jet perpendicularly to its propagation direction is recorded for various laser coupling conditions. The influence of the jet diameter, as well as the influence of the depth of focus of the incident beam and its position with respect to the center of the jet is studied. A nearly homogeneous grain size was observed over the whole jet cross section. The characteristic grain size was then compared with predictions from standard multimode fiber theory. Finally, it is confirmed that the structures resulting from material ablation using the laser-microjet technology when coupling Q-switched Nd:YAG (λ=1064 and 355 nm) are closely related to the predicted light intensity distributions. Furthermore, recommendations are made concerning the coupling conditions for optimizing the laser processing applications.

  9. Water/Ice Heat Sink With Quick-Connect Couplings

    NASA Technical Reports Server (NTRS)

    Lomax, Curtis; Webbon, Bruce

    1996-01-01

    Report presents additional detailed information on apparatus described in "Direct-Interface, Fusible Heat Sink" (ARC-11920). Describes entire apparatus, with special emphasis on features of quick-disconnect couplings governing flow of water under various operating conditions and plumbing configuration.

  10. A two-dimensional coupled flow-mass transport model based on an improved unstructured finite volume algorithm.

    PubMed

    Zhou, Jianzhong; Song, Lixiang; Kursan, Suncana; Liu, Yi

    2015-05-01

    A two-dimensional coupled water quality model is developed for modeling the flow-mass transport in shallow water. To simulate shallow flows on complex topography with wetting and drying, an unstructured grid, well-balanced, finite volume algorithm is proposed for numerical resolution of a modified formulation of two-dimensional shallow water equations. The slope-limited linear reconstruction method is used to achieve second-order accuracy in space. The algorithm adopts a HLLC-based integrated solver to compute the flow and mass transport fluxes simultaneously, and uses Hancock's predictor-corrector scheme for efficient time stepping as well as second-order temporal accuracy. The continuity and momentum equations are updated in both wet and dry cells. A new hybrid method, which can preserve the well-balanced property of the algorithm for simulations involving flooding and recession, is proposed for bed slope terms approximation. The effectiveness and robustness of the proposed algorithm are validated by the reasonable good agreement between numerical and reference results of several benchmark test cases. Results show that the proposed coupled flow-mass transport model can simulate complex flows and mass transport in shallow water. PMID:25686488

  11. Numerical Modeling of Coupled Groundwater and Surface Water Interactions in an Urban Setting

    SciTech Connect

    Rihani, J F; Maxwell, R M

    2007-09-26

    balance and hydrology of DCW, a parallel, distributed watershed model that treats flow in groundwater and surface water in a dynamically coupled manner will be used to build a flow model of the watershed. This coupled model forms the basis for modeling and understanding the transport of contaminants through the Dominguez Channel Watershed, which can be used in designing and implementing TMDLs to manage the water quality in this basin. In this report, the coupled surface water-groundwater flow model of DCW will be presented. This flow model was calibrated against a storm that occurred in February 21st, 2004. The model and approach are explained further in the following sections.

  12. Proton-coupled sugar transport in the prototypical major facilitator superfamily protein XylE

    PubMed Central

    Wisedchaisri, Goragot; Park, Min-Sun; Iadanza, Matthew G.; Zheng, Hongjin; Gonen, Tamir

    2014-01-01

    The major facilitator superfamily (MFS) is the largest collection of structurally related membrane proteins that transport a wide array of substrates. The proton-coupled sugar transporter XylE is the first member of the MFS that has been structurally characterized in multiple transporting conformations, including both the outward and inward-facing states. Here we report the crystal structure of XylE in a new inward-facing open conformation, allowing us to visualize the rocker-switch movement of the N-domain against the C-domain during the transport cycle. Using molecular dynamics simulation, and functional transport assays, we describe the movement of XylE that facilitates sugar translocation across a lipid membrane and identify the likely candidate proton-coupling residues as the conserved Asp27 and Arg133. This study addresses the structural basis for proton-coupled substrate transport and release mechanism for the sugar porter family of proteins. PMID:25088546

  13. Water transport inside carbon nanotubes mediated by phonon-induced oscillating friction.

    PubMed

    Ma, Ming; Grey, François; Shen, Luming; Urbakh, Michael; Wu, Shuai; Liu, Jefferson Zhe; Liu, Yilun; Zheng, Quanshui

    2015-08-01

    The emergence of the field of nanofluidics in the last decade has led to the development of important applications including water desalination, ultrafiltration and osmotic energy conversion. Most applications make use of carbon nanotubes, boron nitride nanotubes, graphene and graphene oxide. In particular, understanding water transport in carbon nanotubes is key for designing ultrafiltration devices and energy-efficient water filters. However, although theoretical studies based on molecular dynamics simulations have revealed many mechanistic features of water transport at the molecular level, further advances in this direction are limited by the fact that the lowest flow velocities accessible by simulations are orders of magnitude higher than those measured experimentally. Here, we extend molecular dynamics studies of water transport through carbon nanotubes to flow velocities comparable with experimental ones using massive crowd-sourced computing power. We observe previously undetected oscillations in the friction force between water and carbon nanotubes and show that these oscillations result from the coupling between confined water molecules and the longitudinal phonon modes of the nanotube. This coupling can enhance the diffusion of confined water by more than 300%. Our results may serve as a theoretical framework for the design of new devices for more efficient water filtration and osmotic energy conversion devices. PMID:26149236

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

    NASA Astrophysics Data System (ADS)

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

    2015-04-01

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

  15. Coupling Protein Dynamics with Proton Transport in Human Carbonic Anhydrase II.

    PubMed

    Taraphder, Srabani; Maupin, C Mark; Swanson, Jessica M J; Voth, Gregory A

    2016-08-25

    The role of protein dynamics in enzyme catalysis is one of the most highly debated topics in enzymology. The main controversy centers around what may be defined as functionally significant conformational fluctuations and how, if at all, these fluctuations couple to enzyme catalyzed events. To shed light on this debate, the conformational dynamics along the transition path surmounting the highest free energy barrier have been herein investigated for the rate limiting proton transport event in human carbonic anhydrase (HCA) II. Special attention has been placed on whether the motion of an excess proton is correlated with fluctuations in the surrounding protein and solvent matrix, which may be rare on the picosecond and subpicosecond time scales of molecular motions. It is found that several active site residues, which do not directly participate in the proton transport event, have a significant impact on the dynamics of the excess proton. These secondary participants are shown to strongly influence the active site environment, resulting in the creation of water clusters that are conducive to fast, moderately slow, or slow proton transport events. The identification and characterization of these secondary participants illuminates the role of protein dynamics in the catalytic efficiency of HCA II. PMID:27063577

  16. Transport of Water in Semicrystalline Block Copolymer Membranes

    NASA Astrophysics Data System (ADS)

    Hallinan, Daniel; Oparaji, Onyekachi

    Poly(styrene)-block-poly(ethylene oxide) (PS- b-PEO) is a semicrystalline block copolymer (BCP) with interesting properties. It is mechanically tough, amphiphilic, and has a polar phase. The mechanical toughness is due to the crystallinity of PEO and the high glass transition temperature of PS, as well as the morphological structure of the BCP. The polymer has high CO2, water, and salt solubility that derive from the polar PEO component. Potential applications include CO2 separation, water purification, and lithium air batteries. In all of the aforementioned applications, water transport is an important parameter. The presence of water can also affect thermal and mechanical properties. Water transport and thermal and mechanical properties of a lamellar PS- b-PEO copolymer have been measured as a function of water activity. Water transport can be affected by the heterogeneous nature of a semicrystalline BCP. Therefore, Fourier transform infrared - attenuated total reflectance (FTIR-ATR) spectroscopy has been employed, because water transport and polymer swelling can be measured simultaneously. The effect of BCP structure on transport has been investigated by comparing water transport in PS- b-PEO to a PEO homopolymer. The crystalline content of the PEO and the presence of glassy PS lamellae will be used to explain the transport results.

  17. Effect of spin rotation coupling on spin transport

    SciTech Connect

    Chowdhury, Debashree Basu, B.

    2013-12-15

    We have studied the spin rotation coupling (SRC) as an ingredient to explain different spin-related issues. This special kind of coupling can play the role of a Dresselhaus like coupling in certain conditions. Consequently, one can control the spin splitting, induced by the Dresselhaus like term, which is unusual in a semiconductor heterostructure. Within this framework, we also study the renormalization of the spin-dependent electric field and spin current due to the k{sup →}⋅p{sup →} perturbation, by taking into account the interband mixing in the rotating system. In this paper we predict the enhancement of the spin-dependent electric field resulting from the renormalized spin rotation coupling. The renormalization factor of the spin electric field is different from that of the SRC or Zeeman coupling. The effect of renormalized SRC on spin current and Berry curvature is also studied. Interestingly, in the presence of this SRC-induced SOC it is possible to describe spin splitting as well as spin galvanic effect in semiconductors. -- Highlights: •Studied effect of spin rotation coupling on the spin electric field, spin current and Berry curvature. •In the k{sup →}⋅p{sup →} framework we study the renormalization of spin electric field and spin current. •For an inertial system we have discussed the spin splitting. •Expression for the Berry phase in the inertial system is discussed. •The inertial spin galvanic effect is studied.

  18. Water Transport through Cohesion-Tension in Porous Structures

    NASA Astrophysics Data System (ADS)

    Kosaraju, Srinivas

    2015-11-01

    The predominant theory to explain water transport through plant xylem is the cohesion-tension theory. According to the theory, negative pressure is created due to water evaporation through millions of microscopic capillary pores from tree leaves. The negative pressures are large enough to lift water hundreds of feet against gravity. In an attempt to replicate the process, multiple structures with varying porosity are tested to create negative pressures through water evaporation. The negative pressure created is used to support a water column. The current research is aimed to create artificial leaves using porous structures and be able to transport water in high rise buildings using renewable energy sources such as solar power.

  19. Temperature influence on water transport in hardened cement pastes

    SciTech Connect

    Drouet, Emeline; Poyet, Stéphane; Torrenti, Jean-Michel

    2015-10-15

    Describing water transport in concrete is an important issue for the durability assessment of radioactive waste management reinforced concrete structures. Due to the waste thermal output such structures would be submitted to moderate temperatures (up to 80 °C). We have then studied the influence of temperature on water transport within hardened cement pastes of four different formulations. Using a simplified approach (describing only the permeation of liquid water) we characterized the properties needed to describe water transport (up to 80 °C) using dedicated experiments. For each hardened cement paste the results are presented and discussed.

  20. Modeling substrate-bacteria-grazer interactions coupled to substrate transport in groundwater

    NASA Astrophysics Data System (ADS)

    Bajracharya, Bijendra M.; Lu, Chuanhe; Cirpka, Olaf A.

    2014-05-01

    Models of microbial dynamics coupled to solute transport in aquifers typically require the introduction of a bacterial capacity term to prevent excessive microbial growth close to substrate-injection boundaries. The factors controlling this carrying capacity, however, are not fully understood. In this study, we propose that grazers or bacteriophages may control the density of bacterial biomass in continuously fed porous media. We conceptualize the flow-through porous medium as a series of retentostats, in which the dissolved substrate is advected with water flow whereas the biomasses of bacteria and grazers are considered essentially immobile. We first model a single retentostat with Monod kinetics of bacterial growth and a second-order grazing law, which shows that the system oscillates but approaches a stable steady state with nonzero concentrations of substrate, bacteria, and grazers. The steady state concentration of the bacteria biomass is independent of the substrate concentration in the inflow. When coupling several retentostats in a series to mimic a groundwater column, the steady state bacteria concentrations thus remain at a constant level over a significant travel distance. The one-dimensional reactive transport model also accounts for substrate dispersion and a random walk of grazers influenced by the bacteria concentration. These dispersive-diffusive terms affect the oscillations until steady state is reached, but hardly the steady state value itself. We conclude that grazing, or infection by bacteriophages, is a possible explanation of the maximum biomass concentration frequently needed in bioreactive transport models. Its value depends on parameters related to the grazers or bacteriophages and is independent of bacterial growth parameters or substrate concentration, provided that there is enough substrate to sustain bacteria and grazers.

  1. Coupling of Volatile Transport and Internal Heatflow on Triton

    NASA Technical Reports Server (NTRS)

    Brown, R. H.; Kirk, R. L.

    1993-01-01

    Recently Brown et al. (Science 250, 1991) showed that Trition's internal heat source could amount to 5-20% of the absorbed insolation on Trition, thus significantly affecting volatile transport and stmospheric pressure.

  2. Implications of Lagrangian transport for simulations with a coupled chemistry-climate model

    NASA Astrophysics Data System (ADS)

    Stenke, A.; Dameris, M.; Grewe, V.; Garny, H.

    2009-08-01

    For the first time a purely Lagrangian transport algorithm is applied in a fully coupled chemistry-climate model (CCM). We use the numerically non-diffusive Lagrangian scheme ATTILA instead of the operational semi-Lagrangian scheme for the transport of water vapour, cloud water and chemical trace species in the CCM E39C. The new model version including the Lagrangian scheme is referred to as E39C-A. The implications of the Lagrangian transport scheme for stratospheric model dynamics and tracer distributions in E39C-A are evaluated by comparison with observations and results of the previous model version E39C. We found in a previous paper that several deficiencies in stratospheric dynamics in E39C originate from a pronounced modelled wet bias and an associated cold bias in the extra-tropical lowermost stratosphere. Contrary to the semi-Lagrangian scheme ATTILA shows a largely reduced meridional transport of water vapour from the tropical upper troposphere into the extratropical lowermost stratosphere. The reduction of the moisture and temperature bias in E39C-A leads to a significant advancement of stratospheric dynamics in terms of the mean state as well as annual and interannual variability. In this study we show that as a consequence of both, the favourable numerical characteristics of the Lagrangian transport scheme and the improved model dynamics, E39C-A generally shows more realistic distributions of chemical trace species: Compared to E39C high stratospheric chlorine (Cly) concentrations extend further downward. Therefore E39C-A realistically covers the altitude of maximum ozone depletion in the stratosphere. The location of the ozonopause, i.e. the transition from low tropospheric to high stratospheric ozone values, is also clearly improved in E39C-A. Not only the spatial distribution but also the temporal evolution of stratospheric Cly in the past is realistically reproduced in E39C-A which is an important step towards a more reliable projection of future

  3. H+-coupled nutrient, micronutrient and drug transporters in the mammalian small intestine.

    PubMed

    Thwaites, David T; Anderson, Catriona M H

    2007-07-01

    The H(+)-electrochemical gradient was originally considered as a driving force for solute transport only across cellular membranes of bacteria, plants and yeast. However, in the mammalian small intestine, a H(+)-electrochemical gradient is present at the epithelial brush-border membrane in the form of an acid microclimate. Over recent years, a large number of H(+)-coupled cotransport mechanisms have been identified at the luminal membrane of the mammalian small intestine. These transporters are responsible for the initial stage in absorption of a remarkable variety of essential and non-essential nutrients and micronutrients, including protein digestion products (di/tripeptides and amino acids), vitamins, short-chain fatty acids and divalent metal ions. Proton-coupled cotransporters expressed at the mammalian small intestinal brush-border membrane include: the di/tripeptide transporter PepT1 (SLC15A1); the proton-coupled amino-acid transporter PAT1 (SLC36A1); the divalent metal transporter DMT1 (SLC11A2); the organic anion transporting polypeptide OATP2B1 (SLC02B1); the monocarboxylate transporter MCT1 (SLC16A1); the proton-coupled folate transporter PCFT (SLC46A1); the sodium-glucose linked cotransporter SGLT1 (SLC5A1); and the excitatory amino acid carrier EAAC1 (SLC1A1). Emerging research demonstrates that the optimal intestinal absorptive capacity of certain H(+)-coupled cotransporters (PepT1 and PAT1) is dependent upon function of the brush-border Na(+)-H(+) exchanger NHE3 (SLC9A3). The high oral bioavailability of a large number of pharmaceutical compounds results, in part, from absorptive transport via the same H(+)-coupled cotransporters. Drugs undergoing H(+)-coupled cotransport across the intestinal brush-border membrane include those used to treat bacterial infections, hypercholesterolaemia, hypertension, hyperglycaemia, viral infections, allergies, epilepsy, schizophrenia, rheumatoid arthritis and cancer. PMID:17468205

  4. H+-coupled nutrient, micronutrient and drug transporters in the mammalian small intestine

    PubMed Central

    Thwaites, David T.; Anderson, Catriona M.H.

    2009-01-01

    The H+-electrochemical gradient was originally considered as a driving force for solute transport only across cellular membranes of bacteria, plants and yeast. However, in the mammalian small intestine a H+electrochemical gradient is present at the epithelial brush-border membrane in the form of an acid microclimate. Over recent years a large number of H+-coupled cotransport mechanisms have been identified at the luminal membrane of the mammalian small intestine. These transporters are responsible for the initial stage in absorption of a remarkable variety of essential and non-essential nutrients and micronutrients including protein digestion products (di/tripeptides and amino acids), vitamins, short-chain fatty acids and divalent metal ions. Proton-coupled cotransporters expressed at the mammalian small intestinal brush-border membrane include: the di/tripeptide transporter PepT1 (SLC15A1); the proton-coupled amino-acid transporter PAT1 (SLC36A1); the divalent metal transporter DMT1 (SLC11A2); the organic anion transporting polypeptide OATP2B1 (SLC02B1); the monocarboxylate transporter MCT1 (SLC16A1); the proton-coupled folate transporter PCFT (SLC46A1); the sodium-glucose linked cotransporter SGLT1 (SLC5A1); and the excitatory amino acid carrier EAAC1 (SLC1A1). Emerging research demonstrates that the optimal intestinal absorptive capacity of certain H+-coupled cotransporters (PepT1 and PAT1) is dependent upon function of the brush-border Na+/H+ exchanger NHE3 (SLC9A3). The high oral bioavailability of a large number of pharmaceutical compounds is due, in part, to absorptive transport via these same H+-coupled cotransporters. Drugs undergoing H+-coupled cotransport across the intestinal brush-border membrane include those used to treat bacterial infections, hypercholesterolaemia, hypertension, hyperglycaemia, viral infections, allergies, epilepsy, schizophrenia, rheumatoid arthritis and cancer. PMID:17468205

  5. Peptide Selectivity of the Proton-Coupled Oligopeptide Transporter from Neisseria meningitidis.

    PubMed

    Sharma, Neha; Aduri, Nanda G; Iqbal, Anna; Prabhala, Bala K; Mirza, Osman

    2016-01-01

    Peptide transport in living organisms is facilitated by either primary transport, hydrolysis of ATP, or secondary transport, cotransport of protons. In this study, we focused on investigating the ligand specificity of the Neisseria meningitidis proton-coupled oligopeptide transporter (NmPOT). It has been shown that the gene encoding this transporter is upregulated during infection. NmPOT conformed to the typical chain length preference as observed in prototypical transporters of this family. In contrast to prototypical transporters, it was unable to accommodate a positively charged peptide residue at the C-terminus position of the substrate peptide. Sequence analysis of the active site of NmPOT displayed a distinctive aromatic patch, which has not been observed in any other transporters from this family. This aromatic patch may be involved in providing NmPOT with its atypical preferences. This study provides important novel information towards understanding how these transporters recognize their substrates. PMID:27438044

  6. On diagonalization of coupled hydrologic transport and geochemical reaction equations

    SciTech Connect

    Yeh, Gour-Tsyh; Cheng, Hwai-Ping

    1996-12-31

    Two basic ingredients present in modeling the transport of reactive multi-components: the transport is described by a set of advection-dispersion-reactive partial differential equations (PDEs) based on the principle of mass balance; the chemical reactions, under the assumptions of local equilibrium, are described by a set of highly nonlinear algebraic equations (AEs) base on the principles of mole balance and mass action. For a typical application, the complete set of nonlinear PDEs and AEs consist of more than one hundred simultaneous equations. Thus, it is impractical to solve this set of equations simultaneously. General practice is to divide this set of equations into two subsets: one is the primary governing equations (PGEs) consisting of mainly the transport equations and the other one is the secondary governing equations consisting of mainly the geochemical reaction equations. The PGEs are solved for the chosen primary dependent variables (PDVs) and the SGEs are used to compute for the secondary dependent variables (SDVs). The major difficulties in simulating the reactive transport is the numerical solution of PGEs. From the computational point of view, the solution of the set of highly nonlinear PDEs are solved either with the direct substitution approach (DSA) or with the sequential iteration approach (SIA). For DSA, geochemical equilibrium reaction equations are substituted into the hydrologic transport equations to results in a set of nonlinear partial differential equations.

  7. Low-pressure water-cooled inductively coupled plasma torch

    DOEpatents

    Seliskar, Carl J.; Warner, David K.

    1988-12-27

    An inductively coupled plasma torch is provided which comprises an inner tube, including a sample injection port to which the sample to be tested is supplied and comprising an enlarged central portion in which the plasma flame is confined; an outer tube surrounding the inner tube and containing water therein for cooling the inner tube, the outer tube including a water inlet port to which water is supplied and a water outlet port spaced from the water inlet port and from which water is removed after flowing through the outer tube; and an r.f. induction coil for inducing the plasma in the gas passing into the tube through the sample injection port. The sample injection port comprises a capillary tube including a reduced diameter orifice, projecting into the lower end of the inner tube. The water inlet is located at the lower end of the outer tube and the r.f. heating coil is disposed around the outer tube above and adjacent to the water inlet.

  8. Low-pressure water-cooled inductively coupled plasma torch

    DOEpatents

    Seliskar, C.J.; Warner, D.K.

    1984-02-16

    An inductively coupled plasma torch is provided which comprises an inner tube, including a sample injection port to which the sample to be tested is supplied and comprising an enlarged central portion in which the plasma flame is confined; an outer tube surrounding the inner tube and containing water therein for cooling the inner tube, the outer tube including a water inlet port to which water is supplied and a water outlet port spaced from the water inlet port and from which water is removed after flowing through the outer tube; and an rf induction coil for inducing the plasma in the gas passing into the tube through the sample injection port. The sample injection port comprises a capillary tube including a reduced diameter orifice, projecting into the lower end of the inner tube. The water inlet is located at the lower end of the outer tube and the rf heating coil is disposed around the outer tube above and adjacent to the water inlet.

  9. Crystal Structure of a Phosphorylation-coupled Saccharide Transporter

    SciTech Connect

    Y Cao; X Jin; E Levin; H Huang; Y Zong; W Hendrickson; J Javitch; K Rajashankar; M Zhou; et al.

    2011-12-31

    Saccharides have a central role in the nutrition of all living organisms. Whereas several saccharide uptake systems are shared between the different phylogenetic kingdoms, the phosphoenolpyruvate-dependent phosphotransferase system exists almost exclusively in bacteria. This multi-component system includes an integral membrane protein EIIC that transports saccharides and assists in their phosphorylation. Here we present the crystal structure of an EIIC from Bacillus cereus that transports diacetylchitobiose. The EIIC is a homodimer, with an expansive interface formed between the amino-terminal halves of the two protomers. The carboxy-terminal half of each protomer has a large binding pocket that contains a diacetylchitobiose, which is occluded from both sides of the membrane with its site of phosphorylation near the conserved His250 and Glu334 residues. The structure shows the architecture of this important class of transporters, identifies the determinants of substrate binding and phosphorylation, and provides a framework for understanding the mechanism of sugar translocation.

  10. Proline residues in two tightly coupled helices of the sulphate transporter, SHST1, are important for sulphate transport.

    PubMed Central

    Shelden, M C; Loughlin, P; Tierney, M L; Howitt, S M

    2001-01-01

    The sulphate transporter SHST1, from Stylosanthes hamata, features three tightly coupled transmembrane helices which include proline residues that are conserved in most related transporters. We used site-directed mutagenesis and expression of the mutant transporters in yeast to test whether these proline residues are important for function. Four proline residues were replaced by both alanine and leucine. Only one of these proline residues, Pro-144, was essential for sulphate transport. However, mutation of either Pro-133 or Pro-160 resulted in a severe decrease in sulphate transport activity; this was due more to a decrease in transport activity than to a decrease in the amount of mutant SHST1 in the plasma membrane. These results suggest that all three proline residues are important for transport, and that the conformation of the three tightly coupled helices may play a critical role in sulphate transport. We also show that SHST1 undergoes a post-translational modification that is required for trafficking to the plasma membrane. PMID:11368789

  11. Water access points and hydration pathways in CLC H+/Cl− transporters

    PubMed Central

    Han, Wei; Cheng, Ricky C.; Maduke, Merritt C.; Tajkhorshid, Emad

    2014-01-01

    CLC transporters catalyze transmembrane exchange of chloride for protons. Although a putative pathway for Cl− has been established, the pathway of H+ translocation remains obscure. Through a highly concerted computational and experimental approach, we characterize microscopic details essential to understanding H+-translocation. An extended (0.4 µs) equilibrium molecular dynamics simulation of membrane-embedded, dimeric ClC-ec1, a CLC from Escherichia coli, reveals transient but frequent hydration of the central hydrophobic region by water molecules from the intracellular bulk phase via the interface between the two subunits. We characterize a portal region lined by E202, E203, and A404 as the main gateway for hydration. Supporting this mechanism, site-specific mutagenesis experiments show that ClC-ec1 ion transport rates decrease as the size of the portal residue at position 404 is increased. Beyond the portal, water wires form spontaneously and repeatedly to span the 15-Å hydrophobic region between the two known H+ transport sites [E148 (Gluex) and E203 (Gluin)]. Our finding that the formation of these water wires requires the presence of Cl− explains the previously mystifying fact that Cl− occupancy correlates with the ability to transport protons. To further validate the idea that these water wires are central to the H+ transport mechanism, we identified I109 as the residue that exhibits the greatest conformational coupling to water wire formation and experimentally tested the effects of mutating this residue. The results, by providing a detailed microscopic view of the dynamics of water wire formation and confirming the involvement of specific protein residues, offer a mechanism for the coupled transport of H+ and Cl− ions in CLC transporters. PMID:24379362

  12. Diagnosing coupled watershed processes using a fully-coupled groundwater, land-surface, surface water and mesoscale atmospheric model

    NASA Astrophysics Data System (ADS)

    Maxwell, R. M.; Kollet, S. J.; Chow, F. K.

    2007-12-01

    A variably-saturated groundwater flow model with an integrated overland flow component, a land-surface model and a mesoscale atmospheric model is used to examine the interplay between coupled water and energy processes. These processes are influenced by land-surface topography and subsurface heterogeneity. This parallel, integrated model simulates spatial variations in land-surface forcing driven by three-dimensional (3D) atmospheric and subsurface components. Spatial statistics are used to demonstrate spatial and temporal correlations between surface and lower atmospheric variables and water table depth. These correlations are particularly strong during times when the land surface temperatures trigger shifts in wind behavior, such as during early morning surface heating. Additionally, spectral transforms of subsurface arrival times are computed using a transient Lagrangian transport simulation. Macrodispersion is used to mimic the effects of subsurface heterogeneity for a range of Peclet numbers. The slopes of these transforms indicate fractal scaling of this system over a range of timescales. All of these techniques point to importance of realistically representing coupled processes and the need to understand and diagnose these processes in nature. This work was conducted under the auspices of the U. S. Department of Energy by the University of California, Lawrence Livermore National Laboratory (LLNL) under contract W-7405-Eng-48. This project was funded by the Laboratory Directed Research and Development Program at LLNL

  13. Water vapor transport in the lower stratosphere during summer linked to Asian monsoon and horizontal transport

    NASA Astrophysics Data System (ADS)

    Ploeger, Felix; Mueller, Rolf; Riese, Martin; Konopka, Paul

    We compare global water vapor observations from Microwave Limb Sounder (MLS) and simulations with the Lagrangian chemistry transport model CLaMS (Chemical Lagrangian Model of the Stratosphere) to investigate the pathways of water vapor into the lower stratosphere during northern hemisphere (NH) summer. We find good agreement between the simulation and observations, with an effect of the satellite averaging kernel especially at high latitudes. The Asian and American monsoons emerge as regions of particularly high water vapor mixing ratios in the lower stratosphere during boreal summer. In NH mid latitudes and high latitudes, a clear anticorrelation between water vapor and ozone daily tendencies reveals a large region influenced by frequent horizontal transport from low latitudes, extending up to about 450K during summer and fall. Analysis of the zonal mean tracer continuity equation shows that close to the subtropics, this horizontal transport is mainly caused by the residual circulation. In contrast, at higher latitudes, poleward of about 50N, eddy mixing dominates the horizontal water vapor transport. Model simulations with transport barriers confirm that almost the entire annual cycle of water vapor in NH mid latitudes above about 360K, with maximum mixing ratios during summer and fall, is caused by horizontal transport from low latitudes. In the model, highest water vapor mixing ratios in this region are clearly linked to upward transport within the Asian monsoon in the subtropics and subsequent poleward horizontal transport.

  14. Transport behavior of water molecules through two-dimensional nanopores

    SciTech Connect

    Zhu, Chongqin; Li, Hui; Meng, Sheng

    2014-11-14

    Water transport through a two-dimensional nanoporous membrane has attracted increasing attention in recent years thanks to great demands in water purification and desalination applications. However, few studies have been reported on the microscopic mechanisms of water transport through structured nanopores, especially at the atomistic scale. Here we investigate the microstructure of water flow through two-dimensional model graphene membrane containing a variety of nanopores of different size by using molecular dynamics simulations. Our results clearly indicate that the continuum flow transits to discrete molecular flow patterns with decreasing pore sizes. While for pores with a diameter ≥15 Å water flux exhibits a linear dependence on the pore area, a nonlinear relationship between water flux and pore area has been identified for smaller pores. We attribute this deviation from linear behavior to the presence of discrete water flow, which is strongly influenced by the water-membrane interaction and hydrogen bonding between water molecules.

  15. Coupling ANIMO and MT3DMS for 3D regional-scale modeling of nutrient transport in soil and groundwater

    NASA Astrophysics Data System (ADS)

    Janssen, G.; Del Val Alonso, L.; Groenendijk, P.; Griffioen, J.

    2012-12-01

    We developed an on-line coupling between the 1D/quasi-2D nutrient transport model ANIMO and the 3D groundwater transport model code MT3DMS. ANIMO is a detailed, process-oriented model code for the simulation of nitrate leaching to groundwater, N- and P-loads on surface waters and emissions of greenhouse gasses. It is the leading nutrient fate and transport code in the Netherlands where it is used primarily for the evaluation of fertilization related legislation. In addition, the code is applied frequently in international research projects. MT3DMS is probably the most commonly used groundwater solute transport package worldwide. The on-line model coupling ANIMO-MT3DMS combines the state-of-the-art descriptions of the biogeochemical cycles in ANIMO with the advantages of using a 3D approach for the transport through the saturated domain. These advantages include accounting for regional lateral transport, considering groundwater-surface water interactions more explicitly, and the possibility of using MODFLOW to obtain the flow fields. An additional merit of the on-line coupling concept is that it preserves feedbacks between the saturated and unsaturated zone. We tested ANIMO-MT3DMS by simulating nutrient transport for the period 1970-2007 in a Dutch agricultural polder catchment covering an area of 118 km2. The transient groundwater flow field had a temporal resolution of one day and was calculated with MODFLOW-MetaSWAP. The horizontal resolution of the model grid was 100x100m and consisted of 25 layers of varying thickness. To keep computation times manageable, we prepared MT3DMS for parallel computing, which in itself is a relevant development for a large community of groundwater transport modelers. For the parameterization of the soil, we applied a standard classification approach, representing the area by 60 units with unique combinations of soil type, land use and geohydrological setting. For the geochemical parameterization of the deeper subsurface, however, we

  16. Quantum mechanical study of the coupling of plasmon excitations to atomic-scale electron transport

    SciTech Connect

    Song Peng; Nordlander, Peter; Gao Shiwu

    2011-02-21

    The coupling of optical excitation and electron transport through a sodium atom in a plasmonic dimer junction is investigated using time-dependent density functional theory. The optical absorption and dynamic conductance is determined as a function of gap size. Surface plasmons are found to couple to atomic-scale transport through several different channels including dipolar, multipolar, and charge transfer plasmon modes. These findings provide insight into subnanoscale couplings of plasmons and atoms, a subject of general interest in plasmonics and molecular electronics.

  17. Synchronization of elastically coupled processive molecular motors and regulation of cargo transport

    NASA Astrophysics Data System (ADS)

    Kohler, Felix; Rohrbach, Alexander

    2015-01-01

    The collective work of motor proteins plays an important role in cellular transport processes. Since measuring intermotor coupling and hence a comparison to theoretical predictions is difficult, we introduce the synchronization as an alternative observable for motor cooperativity. This synchronization can be determined from the ratio of the mean times of motor resting and stepping. Results from a multistate Markov chain model and Brownian dynamics simulations, describing the elastically coupled motors, coincide well. Our model can explain the experimentally observed effect of strongly increased transport velocities and powers by the synchronization and coupling of myosin V and kinesin I.

  18. FY05 LDRD Final Report Coupled Turbulenc/Transport Model for Edge-Plasmas

    SciTech Connect

    Rognlien, T; Cohen, R; LoDestro, L; Palasek, R; Umansky, M; Xu, X

    2006-02-09

    An edge-plasma simulation for tokamak fusion devices is developed that couples 3D turbulence and 2D transport, including detailed sources and sinks, to determine self-consistent steady-state plasma profiles. Relaxed iterative coupling is shown to be effective when edge turbulence is partially suppressed, for example, by shear E x B shear flow as occurs during the favorable H-mode region. Unsuppressed turbulence is found to lead to large, intermittent edge transport events where the coupling procedure can lead to substantial inaccuracies in describing the true time-averaged plasma behavior.

  19. Hybrid Upwind Discretization for the Implicit Simulation of Three-Phase Coupled Flow and Transport with Gravity

    NASA Astrophysics Data System (ADS)

    Hamon, F. P.; Mallison, B.; Tchelepi, H.

    2015-12-01

    The systems of algebraic equations arising from implicit (backward-Euler) finite-volume discretization of the conservation laws governing multiphase flow in porous media are quite challenging for nonlinear solvers. In the presence of counter-current flow due to buoyancy, the coupling between flow (pressure) and transport (saturations) is often the cause of nonlinear problems when single-point Phase-Potential Upwinding (PPU) is used. To overcome such convergence problems in practice, the time step is reduced and Newton's method is restarted from the solution at the previous converged time step. Here, we generalize the work of Lee, Efendiev and Tchelepi [Advances in Water Resources, 2015] to propose an Implicit Hybrid Upwinding (IHU) scheme for coupled flow and transport. In the pure transport problem, we show that the numerical flux obtained with IHU is differentiable, monotone and consistent for two and three-phase flow. For coupled flow and transport, we prove saturation physical bounds as well as the existence of a solution to our scheme. Challenging two- and three-phase heterogeneous multi-dimensional numerical tests confirm that the new scheme is non-oscillatory and convergent, and illustrate the superior convergence rate of our IHU-based Newton solver for large time steps.

  20. Global simulation of coupled carbon and oxygen transport in a Czochralski furnace for silicon crystal growth

    NASA Astrophysics Data System (ADS)

    Gao, B.; Kakimoto, K.

    2010-10-01

    For accurate prediction of carbon and oxygen impurities in a single crystal produced by the Czochralski method, global simulation of coupled oxygen and carbon transport in the whole furnace was implemented. Both gas-phase transportation and liquid-phase transportation of oxygen and carbon were considered. With five chemical reactions considered, SiO and CO concentrations in gas and C and O atom concentrations in silicon melt were solved simultaneously. The simulation results show good agreement with experimental data.

  1. Substrate-bound outward-open state of the betaine transporter BetP provides insights into Na+ coupling.

    PubMed

    Perez, Camilo; Faust, Belinda; Mehdipour, Ahmad Reza; Francesconi, Kevin A; Forrest, Lucy R; Ziegler, Christine

    2014-01-01

    The Na(+)-coupled betaine symporter BetP shares a highly conserved fold with other sequence unrelated secondary transporters, for example, with neurotransmitter symporters. Recently, we obtained atomic structures of BetP in distinct conformational states, which elucidated parts of its alternating-access mechanism. Here, we report a structure of BetP in a new outward-open state in complex with an anomalous scattering substrate, adding a fundamental piece to an unprecedented set of structural snapshots for a secondary transporter. In combination with molecular dynamics simulations these structural data highlight important features of the sequential formation of the substrate and sodium-binding sites, in which coordinating water molecules play a crucial role. We observe a strictly interdependent binding of betaine and sodium ions during the coupling process. All three sites undergo progressive reshaping and dehydration during the alternating-access cycle, with the most optimal coordination of all substrates found in the closed state. PMID:25023443

  2. Allosteric Mechanisms of Molecular Machines at the Membrane: Transport by Sodium-Coupled Symporters.

    PubMed

    LeVine, Michael V; Cuendet, Michel A; Khelashvili, George; Weinstein, Harel

    2016-06-01

    Solute transport across cell membranes is ubiquitous in biology as an essential physiological process. Secondary active transporters couple the unfavorable process of solute transport against its concentration gradient to the energetically favorable transport of one or several ions. The study of such transporters over several decades indicates that their function involves complex allosteric mechanisms that are progressively being revealed in atomistic detail. We focus on two well-characterized sodium-coupled symporters: the bacterial amino acid transporter LeuT, which is the prototype for the "gated pore" mechanism in the mammalian synaptic monoamine transporters, and the archaeal GltPh, which is the prototype for the "elevator" mechanism in the mammalian excitatory amino acid transporters. We present the evidence for the role of allostery in the context of a quantitative formalism that can reconcile biochemical and biophysical data and thereby connects directly to recent insights into the molecular structure and dynamics of these proteins. We demonstrate that, while the structures and mechanisms of these transporters are very different, the available data suggest a common role of specific models of allostery in their functions. We argue that such allosteric mechanisms appear essential not only for sodium-coupled symport in general but also for the function of other types of molecular machines in the membrane. PMID:26892914

  3. Coupled Effects of Vadose Zone Hydrodynamics and Anionic Surfactant Aerosol-22 on the Transport of Cryptosporidium parvum in Soil

    NASA Astrophysics Data System (ADS)

    Darnault, C. J.; Jacobson, A. R.; Powelson, D.; Baveye, P.; Peng, Z.; Yu, C.

    2013-12-01

    Cryptosporidium parvum is a microbial pathogen that may be found in soil, surface and groundwater resources. We studied their transport behavior under conditions where both C. parvum oocysts and chemicals that may affect their mobility are present in soils. Surfactants occur widely in soils due to agricultural practices such as wastewater irrigation and application of agrichemicals. Surfactants decrease the surface tension of the soil solution, which may reduce the ability of C. parvum oocysts to be retained at gas-water interfaces. Understanding the fate and transport of C. parvum oocysts following land application of manure and use of surfactants in rural and agricultural watersheds is critical to assess the threat to water resources. We investigated the coupled effects of vadose zone hydrodynamics and an anionic surfactant Aerosol-22 on the transport of C. parvum oocysts in natural structured and non-structured agricultural or range soils from Illinois and Utah. Column transport experiments consisted of unsaturated flow subject to macropore and fingered flows resulting from simulated rainfall with and without surfactant. To assess the behavior of C. parvum oocysts in soils, the breakthrough and distribution of C. parvum oocysts in soil profiles were obtained using qPCR. We observed that surfactant enhanced the transport of C. parvum oocysts when preferential flow paths are present. However, when the interconnection between macropores is not established in the soils, surfactant limited the transport of C. parvum oocysts through the soil matrix by forming oocyst-surfactant-Ca flocs.

  4. Modeling the coupling between flow and transport developed by chemical reactions and density differences using TOUGHREACT.

    SciTech Connect

    Kim, Jeongkon; Scwartz, Franklin W.; Shi, Jianyou; Xu, Tianfu

    2003-04-01

    A complex pattern of coupling between fluid flow and mass transport develops when heterogeneous reactions occur. For instance, dissolution and precipitation reactions can change the physical properties of a medium, such as permeability and pore geometry. These changes influence fluid flow, which in turn impact the composition of dissolved constituents and solid-phase, and the rate and direction of advective transport. Two-dimensional modeling studies using TOUGHREACT were conducted to investigate the coupling between flow and transport developed as a consequence of difference in density, dissolution/precipitation, and medium heterogeneity. The model includes equilibrium reactions for aqueous species, kinetic reactions between the solid phases and aqueous constituents, and full coupling of porosity and permeability changes resulting from precipitation and dissolution reactions in porous media. Generally, the evolutions in the concentrations of the aqueous phase are intimately related to the reaction-front dynamics. Plugging of the medium contributed to significant transients in patterns of flow and mass transport.

  5. MULTIDIMENSIONAL COUPLED PHOTON-ELECTRON TRANSPORT SIMULATIONS USING NEUTRAL PARTICLE SN CODES

    SciTech Connect

    Ilas, Dan; Williams, Mark L; Peplow, Douglas E.; Kirk, Bernadette Lugue

    2008-01-01

    During the past two years a study was underway at ORNL to assess the suitability of the popular SN neutral particle codes ANISN, DORT and TORT for coupled photon-electron calculations specific to external beam therapy of medical physics applications. The CEPXS-BFP code was used to generate the cross sections. The computational tests were performed on phantoms typical of those used in medical physics for external beam therapy, with materials simulated by water at different densities and the comparisons were made against Monte Carlo simulations that served as benchmarks. Although the results for one-dimensional calculations were encouraging, it appeared that the higher dimensional transport codes had fundamental difficulties in handling the electron transport. The results of two-dimensional simulations using the code DORT with an S16 fully symmetric quadrature set agree fairly with the reference Monte Carlo results but not well enough for clinical applications. While the photon fluxes are in better agreement (generally, within less than 5% from the reference), the discrepancy increases, sometimes very significantly, for the electron fluxes. The paper, however, focuses on the results obtained with the three-dimensional code TORT which had convergence difficulties for the electron groups. Numerical instabilities occurred in these groups. These instabilities were more pronounced with the degree of anisotropy of the problem.

  6. TICKET-UWM: a coupled kinetic, equilibrium, and transport screening model for metals in lakes.

    PubMed

    Farley, Kevin J; Carbonaro, Richard F; Fanelli, Christopher J; Costanzo, Robert; Rader, Kevin J; Di Toro, Dominic M

    2011-06-01

    The tableau input coupled kinetic equilibrium transport-unit world model (TICKET-UWM) has been developed as a screening model for assessing potential environmental risks associated with the release of metals into lakes. The model is based on a fully implicit, one-step solution algorithm that allows for simultaneous consideration of dissolved and particulate phase transport; metal complexation to organic matter and inorganic ligands; precipitation of metal hydroxides, carbonates, and sulfides; competitive interactions of metals and major cations with biotic ligands; a simplified description of biogeochemical cycling of organic carbon and sulfur; and dissolution kinetics for metal powders, massives, and other solid forms. Application of TICKET-UWM to a generalized lake in the Sudbury area of the Canadian Shield is presented to demonstrate the overall cycling of metals in lakes and the nonlinear effects of chemical speciation on metal responses. In addition, the model is used to calculate critical loads for metals, with acute toxicity of Daphnia magna as the final endpoint. Model results show that the critical loads for Cu, Ni, Pb, and Zn varied from 2.5 to 39.0 g metal/m(2) -year and were found to be one or more orders of magnitude higher than comparable loads for pesticides (lindane, 4,4'-DDT) and several polyaromatic hydrocarbon (PAH) compounds. In sensitivity calculations, critical metal-loading rates were found to vary significantly as a function of the hydraulic detention time, water hardness, and metal dissolution kinetic rates. PMID:21381089

  7. A new paradigm for local-global coupling in whole-core neutron transport.

    SciTech Connect

    Lewis, E.; Smith, M.; Palmiotti, G,; Nuclear Engineering Division; Northwestern Univ.; INL

    2009-01-01

    A new paradigm that increases the efficiency of whole-core neutron transport calculations without lattice homogenization is introduced. Quasi-reflected interface conditions are formulated to partially decouple periodic lattice effects from global flux gradients. The starting point is the finite subelement form of the variational nodal code VARIANT that eliminates fuel-coolant homogenization through the use of heterogeneous nodes. The interface spherical harmonics expansions that couple pin-cell-sized nodes are divided into low-order and high-order terms, and reflected interface conditions are applied to the high-order terms. Combined with an integral transport method within the node, the new approach dramatically reduces both the formation time and the dimensions of the nodal response matrices and leads to sharply reduced memory requirements and computational time. The method is applied to the two-dimensional C5G7 problem, an Organisation for Economic Co-operation and Development/Nuclear Energy Agency pressurized water reactor benchmark containing mixed oxide (MOX) and UO{sub 2} fuel assemblies, as well as to a three-dimensional MOX fuel assembly. Results indicate the new approach results in very little loss of accuracy relative to the corresponding full spherical harmonics expansions while reducing computational times by well over an order of magnitude.

  8. Mitochondrial Electron Transport and Glycolysis are coupled in Articular Cartilage

    PubMed Central

    Martin, James A.; Martini, Anne; Molinari, Alexander; Morgan, Walter; Ramalingam, Wendy; Buckwalter, Joseph A.; McKinley, Todd O.

    2012-01-01

    Objective Although the majority of the ATP in chondrocytes is made by glycolysis rather than by oxidative phosphorylation in mitochondria there is evidence to suggest that reactive oxygen species produced by mitochondrial electron transport help to maintain cellular redox balance in favor of glycolysis. The objective of this study was to test this hypothesis by determining if rotenone, which inhibits electron transport and blocks oxidant production inhibits glycolytic ATP synthesis. Design Bovine osteochondral explants were treated with rotenone, an electron transport inhibitor; or oligomycin an ATP synthase inhibitor; or 2-fluoro-2-deoxy-D-glucose, a glycolysis inhibiter; or peroxide, an exogenous oxidant; or mitoquinone, a mitochondria-targeted anti-oxidant. Cartilage extracts were assayed for ATP, NAD+, and NADH, and culture medium was assayed for pyruvate and lactate after 24 hours of treatment. Imaging studies were used to measure superoxide production in cartilage. Results Rotenone and 2-fluoro-2-deoxy-D-glucose caused a significant decline in cartilage ATP (p < 0.001). In contrast, ATP levels were not affected by oligomycin. Peroxide treatment blocked rotenone effects on ATP, while treatment with MitoQ significantly suppressed ATP levels. Rotenone and 2-fluoro-2-deoxy-D-glucose caused a significant decline in pyruvate, but not in lactate production. NADH:NAD+ ratios decreased significantly in both rotenone and 2-fluoro-2-deoxy-D-glucose-treated explants (p < 0.05). Rotenone also significantly reduced superoxide production Conclusions These findings showing a link between glycolysis and electron transport are consistent with previous reports on the critical need for oxidants to support normal chondrocyte metabolism. They suggest a novel role for mitochondria in cartilage homeostasis that is independent of oxidative phosphorylation. PMID:22305999

  9. Formation of a ravine network by seepage: coupling groundwater to sediment transport

    NASA Astrophysics Data System (ADS)

    Devauchelle, O.; Petroff, A. P.; Abrams, D. M.; Rothman, D.

    2009-12-01

    The formation of a ravine network by seepage of an aquifer can produce a highly complex pattern, even when sediment properties and precipitation are uniform. The steephead streams of the Apalachicola Bluffs and Ravines Preserve on the Florida Panhandle are a simple example of this type of landscape. We report comparisons of theoretical predictions for stream elevation profiles against field observations and analyses of high resolution LIDAR maps of this system. An initially flat seepage face is prone to develop channels due to water sapping, in a way that is similar to the fluid-dynamical interfacial instability that occurs when a non-viscous fluid is pushed into a viscous one. However there are significant differences. We investigate this mechanism by means of a two-dimensional model for the water table. The higher the curvature of a ravine tip, the more groundwater it attracts, causing tips to be unstable. However, ravines are stabilized by the requirement that all the sediment detached from the head must be removed by the stream. This analysis reproduces the 20 m spacing between nascent tips. Once a tip is formed, water flowing through it transports sediment removed from the tip, thus allowing the ravine to grow forward. Although the size and discharge of the streams vary considerably across the ravine networks, the hydraulic force exerted on the bed remains close to the minimum value required to move a sand grain. This equilibrium condition imposes a strong constraint on the stream elevation profile, thus coupling the sediment transport process to the groundwater flow. From this model we show that, in the neighborhood of the channel head, stream elevation profiles increase with the distance from the tip to the power two thirds. This result, supported by field data, relates the shape of the stream to the amount of water captured by its tip. In particular, sediment transport into the stream influences not only the landscape around the head, but also the ravine

  10. Coupled ion Binding and Structural Transitions Along the Transport Cycle of Glutamate Transporters

    SciTech Connect

    Verdon, Gregory; Oh, SeCheol; Serio, Ryan N.; Boudker, Olga

    2014-05-19

    Membrane transporters that clear the neurotransmitter glutamate from synapses are driven by symport of sodium ions and counter-transport of a potassium ion. Previous crystal structures of a homologous archaeal sodium and aspartate symporter showed that a dedicated transport domain carries the substrate and ions across the membrane. We report new crystal structures of this homologue in ligand-free and ions-only bound outward- and inward-facing conformations. We then show that after ligand release, the apo transport domain adopts a compact and occluded conformation that can traverse the membrane, completing the transport cycle. Sodium binding primes the transport domain to accept its substrate and triggers extracellular gate opening, which prevents inward domain translocation until substrate binding takes place. Moreover, we describe a new cation-binding site ideally suited to bind a counter-transported ion. We suggest that potassium binding at this site stabilizes the translocation-competent conformation of the unloaded transport domain in mammalian homologues.

  11. Methane oxidation coupled to oxygenic photosynthesis in anoxic waters

    PubMed Central

    Milucka, Jana; Kirf, Mathias; Lu, Lu; Krupke, Andreas; Lam, Phyllis; Littmann, Sten; Kuypers, Marcel MM; Schubert, Carsten J

    2015-01-01

    Freshwater lakes represent large methane sources that, in contrast to the Ocean, significantly contribute to non-anthropogenic methane emissions to the atmosphere. Particularly mixed lakes are major methane emitters, while permanently and seasonally stratified lakes with anoxic bottom waters are often characterized by strongly reduced methane emissions. The causes for this reduced methane flux from anoxic lake waters are not fully understood. Here we identified the microorganisms and processes responsible for the near complete consumption of methane in the anoxic waters of a permanently stratified lake, Lago di Cadagno. Interestingly, known anaerobic methanotrophs could not be detected in these waters. Instead, we found abundant gamma-proteobacterial aerobic methane-oxidizing bacteria active in the anoxic waters. In vitro incubations revealed that, among all the tested potential electron acceptors, only the addition of oxygen enhanced the rates of methane oxidation. An equally pronounced stimulation was also observed when the anoxic water samples were incubated in the light. Our combined results from molecular, biogeochemical and single-cell analyses indicate that methane removal at the anoxic chemocline of Lago di Cadagno is due to true aerobic oxidation of methane fuelled by in situ oxygen production by photosynthetic algae. A similar mechanism could be active in seasonally stratified lakes and marine basins such as the Black Sea, where light penetrates to the anoxic chemocline. Given the widespread occurrence of seasonally stratified anoxic lakes, aerobic methane oxidation coupled to oxygenic photosynthesis might have an important but so far neglected role in methane emissions from lakes. PMID:25679533

  12. A process-based evapotranspiration model incorporating coupled soil water-atmospheric controls

    NASA Astrophysics Data System (ADS)

    Haghighi, Erfan; Kirchner, James

    2016-04-01

    Despite many efforts to develop evapotranspiration models (in the framework of the Penman-Monteith equation) with improved parametrizations of various resistance terms to water vapor transfer into the atmosphere, evidence suggests that estimates of evapotranspiration and its partitioning are prone to bias. Much of this bias could arise from the exclusion of surface hydro-thermal properties and of physical interactions close to the surface where heat and water vapor fluxes originate. Recent progress has been made in mechanistic modeling of surface-turbulence interactions, accounting for localized heat and mass exchange rates from bare soil surfaces covered by protruding obstacles. We seek to extend these results partially vegetated surfaces, to improve predictive capabilities and accuracy of remote sensing techniques quantifying evapotranspiration fluxes. The governing equations of liquid water, water vapor, and energy transport dynamics in the soil-plant-atmosphere system are coupled to resolve diffusive vapor fluxes from isolated pores (plant stomata and soil pores) across a near-surface viscous sublayer, explicitly accounting for pore-scale transport mechanisms and environmental forcing. Preliminary results suggest that this approach offers unique opportunities for directly linking transport properties in plants and adjacent bare soil with resulting plant transpiration and localized bare soil evaporation rates. It thus provides an essential building block for interpreting and upscaling results to field and landscape scales for a range of vegetation cover and atmospheric conditions.

  13. Ballistic transport through coupled T-shaped quantum wires

    NASA Astrophysics Data System (ADS)

    Lin, Yuh-Kae; Lin, Kao-Chin; Chuu, Der-San

    2004-05-01

    The ballistic conductance of a coupled T-shaped semiconductor quantum wire (CTQW) is studied. Two types of CTQW are considered, one of which is a Π-shaped quantum wire ( ΠQW) which consists of two vertical arms on the same side of the horizontal arm and the other a Π-clone quantum wire ( ΠCQW) which consists of two vertical armes on the opposite sides of the horizontal arm. The mode matching method and Landauer-Buttiker theory are employed to study the energy dependence of the ballistic conductance. Most of transmission profiles of ΠQW and ΠCQW are found to be distinguishable for large separation d between the two vertical arms. The transmission probability manifests oscillatory behavior when d is increased. When a potential is applied to the connection region, it results in decoupling or coupling effects between the two T-shaped quantum wires according to whether it is positive or negative. When magnetic field is applied to CTQW, the transmission profiles are found to be affected prominently even if the electron passes through the field free region only.

  14. Electron transfer activation of a second water channel for proton transport in [FeFe]-hydrogenase

    SciTech Connect

    Sode, Olaseni; Voth, Gregory A.

    2014-12-14

    Hydrogenase enzymes are important because they can reversibly catalyze the production of molecular hydrogen. Proton transport mechanisms have been previously studied in residue pathways that lead to the active site of the enzyme via residues Cys299 and Ser319. The importance of this pathway and these residues has been previously exhibited through site-specific mutations, which were shown to interrupt the enzyme activity. It has been shown recently that a separate water channel (WC2) is coupled with electron transport to the active site of the [FeFe]-hydrogenase. The water-mediated proton transport mechanisms of the enzyme in different electronic states have been studied using the multistate empirical valence bond reactive molecular dynamics method, in order to understand any role WC2 may have in facilitating the residue pathway in bringing an additional proton to the enzyme active site. In a single electronic state A{sup 2−}, a water wire was formed through which protons can be transported with a low free energy barrier. The remaining electronic states were shown, however, to be highly unfavorable to proton transport in WC2. A double amino acid substitution is predicted to obstruct proton transport in electronic state A{sup 2-} by closing a cavity that could otherwise fill with water near the proximal Fe of the active site.

  15. Computing and the electrical transport properties of coupled quantum networks

    NASA Astrophysics Data System (ADS)

    Cain, Casey Andrew

    In this dissertation a number of investigations were conducted on ballistic quantum networks in the mesoscopic range. In this regime, the wave nature of electron transport under the influence of transverse magnetic fields leads to interesting applications for digital logic and computing circuits. The work specifically looks at characterizing a few main areas that would be of interest to experimentalists who are working in nanostructure devices, and is organized as a series of papers. The first paper analyzes scaling relations and normal mode charge distributions for such circuits in both isolated and open (terminals attached) form. The second paper compares the flux-qubit nature of quantum networks to the well-established spintronics theory. The results found exactly contradict the conventional school of thought for what is required for quantum computation. The third paper investigates the requirements and limitations of extending the Thevenin theorem in classic electric circuits to ballistic quantum transport. The fourth paper outlines the optimal functionally complete set of quantum circuits that can completely satisfy all sixteen Boolean logic operations for two variables.

  16. Water transportation across narrow channel of nanometer dimension

    NASA Astrophysics Data System (ADS)

    Wan, Rongzheng; Fang, Haiping

    2010-06-01

    Since the discovery of the carbon nanotube and aquaporin, the study of the transportation of water across nanochannels has become one of the hot subjects. When the radius of a nanochannel is only about one nanometer or a little larger, water confined in those nanoscale channels usually exhibits dynamics different from those in bulk system, such as the wet-dry transition due to the confinement, concerted hydrogen-bond orientations and flipping, concerted motion of water molecules, and strong interactions with external charges. Those dynamics correlate with the unique behavior of the water transportation across the channels, such as the extra-high permeability, excellent on-off gating behavior with response to the external mechanical and electrical signals and noises, enhancement by structure outside the channel, directional transportation driven by charges close to a channel or electric field. In this article, we review some of the recent progress on the study of the water molecules inside those narrow nanochannels.

  17. Impact of inflow transport approximation on light water reactor analysis

    NASA Astrophysics Data System (ADS)

    Choi, Sooyoung; Smith, Kord; Lee, Hyun Chul; Lee, Deokjung

    2015-10-01

    The impact of the inflow transport approximation on light water reactor analysis is investigated, and it is verified that the inflow transport approximation significantly improves the accuracy of the transport and transport/diffusion solutions. A methodology for an inflow transport approximation is implemented in order to generate an accurate transport cross section. The inflow transport approximation is compared to the conventional methods, which are the consistent-PN and the outflow transport approximations. The three transport approximations are implemented in the lattice physics code STREAM, and verification is performed for various verification problems in order to investigate their effects and accuracy. From the verification, it is noted that the consistent-PN and the outflow transport approximations cause significant error in calculating the eigenvalue and the power distribution. The inflow transport approximation shows very accurate and precise results for the verification problems. The inflow transport approximation shows significant improvements not only for the high leakage problem but also for practical large core problem analyses.

  18. Conformational coupling of the nucleotide-binding and the transmembrane domains in ABC transporters.

    PubMed

    Wen, Po-Chao; Tajkhorshid, Emad

    2011-08-01

    Basic architecture of ABC transporters includes two transmembrane domains (TMDs) and two nucleotide-binding domains (NBDs). Although the transport process takes place in the TMDs, which provide the substrate translocation pathway across the cell membrane and control its accessibility between the two sides of the membrane, the energy required for the process is provided by conformational changes induced in the NBDs by binding and hydrolysis of ATP. Nucleotide-dependent conformational changes in the NBDs, therefore, need to be coupled to structural changes in the TMDs. Using molecular dynamics simulations, we have investigated the structural elements involved in the conformational coupling between the NBDs and the TMDs in the Escherichia coli maltose transporter, an ABC importer for which an intact structure is available both in inward-facing and outward-facing conformations. The prevailing model of coupling is primarily based on a single structural motif, known as the coupling helices, as the main structural element for the NBD-TMD coupling. Surprisingly, we find that in the absence of the NBDs the coupling helices can be conformationally decoupled from the rest of the TMDs, despite their covalent connection. That is, the structural integrity of the coupling helices and their tight coupling to the core of the TMDs rely on the contacts provided by the NBDs. Based on the conformational and dynamical analysis of the simulation trajectories, we propose that the core coupling elements in the maltose transporter involve contributions from several structural motifs located at the NBD-TMD interface, namely, the EAA loops from the TMDs, and the Q-loop and the ENI motifs from the NBDs. These three structural motifs in small ABC importers show a high degree of correlation in motion and mediate the necessary conformational coupling between the core of TMDs and the helical subdomains of NBDs. A comprehensive analysis of the structurally known ABC transporters shows a high degree

  19. Scaling behaviour for the water transport in nanoconfined geometries

    NASA Astrophysics Data System (ADS)

    Chiavazzo, Eliodoro; Fasano, Matteo; Asinari, Pietro; Decuzzi, Paolo

    2014-04-01

    The transport of water in nanoconfined geometries is different from bulk phase and has tremendous implications in nanotechnology and biotechnology. Here molecular dynamics is used to compute the self-diffusion coefficient D of water within nanopores, around nanoparticles, carbon nanotubes and proteins. For almost 60 different cases, D is found to scale linearly with the sole parameter θ as D(θ)=DB[1+(DC/DB-1)θ], with DB and DC the bulk and totally confined diffusion of water, respectively. The parameter θ is primarily influenced by geometry and represents the ratio between the confined and total water volumes. The D(θ) relationship is interpreted within the thermodynamics of supercooled water. As an example, such relationship is shown to accurately predict the relaxometric response of contrast agents for magnetic resonance imaging. The D(θ) relationship can help in interpreting the transport of water molecules under nanoconfined conditions and tailoring nanostructures with precise modulation of water mobility.

  20. Scaling behaviour for the water transport in nanoconfined geometries

    PubMed Central

    Chiavazzo, Eliodoro; Fasano, Matteo; Asinari, Pietro; Decuzzi, Paolo

    2014-01-01

    The transport of water in nanoconfined geometries is different from bulk phase and has tremendous implications in nanotechnology and biotechnology. Here molecular dynamics is used to compute the self-diffusion coefficient D of water within nanopores, around nanoparticles, carbon nanotubes and proteins. For almost 60 different cases, D is found to scale linearly with the sole parameter θ as D(θ)=DB[1+(DC/DB−1)θ], with DB and DC the bulk and totally confined diffusion of water, respectively. The parameter θ is primarily influenced by geometry and represents the ratio between the confined and total water volumes. The D(θ) relationship is interpreted within the thermodynamics of supercooled water. As an example, such relationship is shown to accurately predict the relaxometric response of contrast agents for magnetic resonance imaging. The D(θ) relationship can help in interpreting the transport of water molecules under nanoconfined conditions and tailoring nanostructures with precise modulation of water mobility. PMID:24699509

  1. Reactions in water: alkyl nitrile coupling reactions using Fenton's reagent.

    PubMed

    Keller, Christopher L; Dalessandro, James D; Hotz, Richard P; Pinhas, Allan R

    2008-05-01

    The coupling reaction of water-soluble alkyl nitriles using Fenton's reagent (Fe(II) and H2O2) is described. The best metal for the reaction is iron(II), and the greatest yields are obtained when the concentration of the metal is kept low. Hydrogen-atom abstraction is selective, preferentially producing the radical alpha to the nitrile. In order to increase the production of dinitrile, in situ reduction of iron(III) to iron(II), using a variety of reducing agents, was investigated. PMID:18363368

  2. Electric field geometries dominate quantum transport coupling in silicon nanoring

    SciTech Connect

    Lee, Tsung-Han E-mail: sfhu.hu@gmail.com; Hu, Shu-Fen E-mail: sfhu.hu@gmail.com

    2014-03-28

    Investigations on the relation between the geometries of silicon nanodevices and the quantum phenomenon they exhibit, such as the Aharonov–Bohm (AB) effect and the Coulomb blockade, were conducted. An arsenic doped silicon nanoring coupled with a nanowire by electron beam lithography was fabricated. At 1.47 K, Coulomb blockade oscillations were observed under modulation from the top gate voltage, and a periodic AB oscillation of ΔB = 0.178 T was estimated for a ring radius of 86 nm under a high sweeping magnetic field. Modulating the flat top gate and the pointed side gate was performed to cluster and separate the many electron quantum dots, which demonstrated that quantum confinement and interference effects coexisted in the doped silicon nanoring.

  3. Dynamics of magnetosphere-ionosphere coupling including turbulent transport

    NASA Technical Reports Server (NTRS)

    Lysak, R. L.; Dum, C. T.

    1982-01-01

    A two dimensional two-fluid MHD model including anomalous resistivity was used to investigate the dynamics of magnetosphere-ionosphere coupling. When a field-aligned current is generated on auroral field lines, the disturbance propagates towards the ionosphere in the form of a kinetic Alfven wave. When the current exceeds a critical value, microscopic turbulence is produced, which modifies the propagation of the Alfven wave. This process is modeled by a nonlinear collision frequency, which increases with the excess of the drift velocity over the critical value. Turbulence leads to absorption and reflection of the Alfven wave, partially decoupling the generator from the ionosphere. The approach to a steady-state is strongly dependent on the presence or absence of the turbulence. The current is self-limiting, since a current in excess of critical causes a diffusion of the magnetic field perturbation and a reduction of current.

  4. Evaluating the costs of desalination and water transport

    NASA Astrophysics Data System (ADS)

    Zhou, Yuan; Tol, Richard S. J.

    2005-03-01

    Many regions of the world are facing formidable freshwater scarcity. Although there is substantial scope for economizing on the consumption of water without affecting its service level, the main response to water scarcity has been to increase the supply. To a large extent, this is done by transporting water from places where it is abundant to places where it is scarce. At a smaller scale and without a lot of public and political attention, people have started to tap into the sheer limitless resource of desalinated water. This study looks at the development of desalination and its costs over time. The unit costs of desalinated water for five main processes are evaluated, followed by regressions to analyze the main influencing factors to the costs. The unit costs for all processes have fallen considerably over the years. This study suggests that a cost of $1/m3 for seawater desalination and $0.6/m3 for brackish water would be feasible today. The costs will continue to decline in the future as technology progresses. In addition, a literature review on the costs of water transport is conducted in order to estimate the total cost of desalination and the transport of desalinated water to selected water stress cities. Transport costs range from a few cents per cubic meter to over a dollar. A 100 m vertical lift is about as costly as a 100 km horizontal transport ($0.05-0.06/m3). Transport makes desalinated water prohibitively expensive in highlands and continental interiors but not elsewhere.

  5. Evaluating the costs of desalination and water transport

    NASA Astrophysics Data System (ADS)

    Zhou, Yuan; Tol, Richard S. J.

    2005-03-01

    Many regions of the world are facing formidable freshwater scarcity. Although there is substantial scope for economizing on the consumption of water without affecting its service level, the main response to water scarcity has been to increase the supply. To a large extent, this is done by transporting water from places where it is abundant to places where it is scarce. At a smaller scale and without a lot of public and political attention, people have started to tap into the sheer limitless resource of desalinated water. This study looks at the development of desalination and its costs over time. The unit costs of desalinated water for five main processes are evaluated, followed by regressions to analyze the main influencing factors to the costs. The unit costs for all processes have fallen considerably over the years. This study suggests that a cost of 1/m3 for seawater desalination and 0.6/m3 for brackish water would be feasible today. The costs will continue to decline in the future as technology progresses. In addition, a literature review on the costs of water transport is conducted in order to estimate the total cost of desalination and the transport of desalinated water to selected water stress cities. Transport costs range from a few cents per cubic meter to over a dollar. A 100 m vertical lift is about as costly as a 100 km horizontal transport ($0.05-0.06/m3). Transport makes desalinated water prohibitively expensive in highlands and continental interiors but not elsewhere.

  6. A Coupled Modeling System to Simulate Water Resources in the Rio Grande Basin

    SciTech Connect

    Bossert, J.E.; Breshears, D.D.; Campbell, K.; Costigan, K.R.; Greene, R.K.; Keating, E.H.; Kleifgen, L.M.; Langley, D.L.; Martens, S.N.; Sanderson, J.G.; Springer, E.P.; Stalker, J.R.; Tartakovsky, D.M.; Winter, C.L.; Zyvoloski, G.A.

    1999-01-11

    Limited availability of fresh water in arid and semi-arid regions of the world requires prudent management strategies from accurate, science-based assessments. These assessments demand a thorough understanding of the hydrologic cycle over long time periods within the individual water-sheds that comprise large river basins. Measurement and simulation of the hydrologic cycle is a tremendous challenge, involving a coupling between global to regional-scale atmospheric precipitation processes with regional to local-scale land surface and subsurface water transport. Los Alamos National Laboratory is developing a detailed modeling system of the hydrologic cycle and applying this tool at high resolution to assess the water balance within the upper Rio Grande river basin. The Rio Grande is a prime example of a river system in a semiarid environment, with a high demand from agricultural, industrial, recreational, and municipal interests for its water supply. Within this river basin, groundwater supplies often augment surface water. With increasing growth projected throughout the river basin, however, these multiple water users have the potential to significantly deplete groundwater resources, thereby increasing the dependence on surface water resources.

  7. Coupling of solute transport and cell expansion in pea stems

    NASA Technical Reports Server (NTRS)

    Schmalstig, J. G.; Cosgrove, D. J.

    1990-01-01

    As cells expand and are displaced through the elongation zone of the epicotyl of etiolated pea (Pisum sativum L. var Alaska) seedlings, there is little net dilution of the cell sap, implying a coordination between cell expansion and solute uptake from the phloem. Using [14C] sucrose as a phloem tracer (applied to the hypogeous cotyledons), the pattern of label accumulation along the stem closely matched the growth rate pattern: high accumulation in the growing zone, little accumulation in nongrowing regions. Several results suggest that a major portion of phloem contents enters elongating cells through the symplast. We propose that the coordination between phloem transport and cell expansion is accomplished via regulatory pathways affecting both plasmodesmata conductivity and cell expansion.

  8. Spin-polarized transport through a coupled double-dot

    NASA Astrophysics Data System (ADS)

    Yu, Hui; Liang, J.-Q.

    2006-10-01

    We propose, theoretically, a new type of design that generates the spin-polarized current through a mesoscopic device composed of lateral double-quantum-dot in the company of time oscillating and spin-polarization dependent tunneling. A formula for the spin-dependent current is obtained and is applied to discuss the transport properties. We demonstrate that the spin and charge currents are controllable by adjusting the gate voltage, the frequency of driving field and the magnitude of the magnetic field as well. In particular an interesting resonance phenomenon of the spin current is qualitatively explained in terms of the exact solutions of a time-dependent Schrödinger equation for an electron moving between the two quantum dots.

  9. Modeling multispecies reactive transport in ground water

    SciTech Connect

    Clement, T.P.; Sun, Y.; Hooker, B.S.; Petersen, J.N.

    1998-12-31

    In this paper, the details of RT3D, a general purpose, multispecies, reactive transport code, are presented. The code uses MODFLOW to simulate flow and several MT3D sub-programs to simulate advection and dispersion. A set of reaction modules were developed and incorporated into RT3D to simulate various types of multispecies reactive transport. This new computer model can be used for analyzing different types of subsurface contaminant reactions, microbial metabolisms, and microbial transport kinetics. Details of the model and numerical solution procedure are presented. The numerical formulation of the code is general enough to allow description of any type of reaction with any number of mobile/immobile species. Several example problems are presented to test the performance of the code, and to illustrate its features. The presented numerical model is shown to be a useful tool for analyzing different types of subsurface bioremediation systems. Prediction based on this model can be used for screening remediation alternatives including natural attenuation and/or for forecasting contaminant exposure levels and environmental risks at sensitive, downgradient receptors.

  10. Coupling Radar Rainfall to Hydrological Models for Water Abstraction Management

    NASA Astrophysics Data System (ADS)

    Asfaw, Alemayehu; Shucksmith, James; Smith, Andrea; MacDonald, Ken

    2015-04-01

    The impacts of climate change and growing water use are likely to put considerable pressure on water resources and the environment. In the UK, a reform to surface water abstraction policy has recently been proposed which aims to increase the efficiency of using available water resources whilst minimising impacts on the aquatic environment. Key aspects to this reform include the consideration of dynamic rather than static abstraction licensing as well as introducing water trading concepts. Dynamic licensing will permit varying levels of abstraction dependent on environmental conditions (i.e. river flow and quality). The practical implementation of an effective dynamic abstraction strategy requires suitable flow forecasting techniques to inform abstraction asset management. Potentially the predicted availability of water resources within a catchment can be coupled to predicted demand and current storage to inform a cost effective water resource management strategy which minimises environmental impacts. The aim of this work is to use a historical analysis of UK case study catchment to compare potential water resource availability using modelled dynamic abstraction scenario informed by a flow forecasting model, against observed abstraction under a conventional abstraction regime. The work also demonstrates the impacts of modelling uncertainties on the accuracy of predicted water availability over range of forecast lead times. The study utilised a conceptual rainfall-runoff model PDM - Probability-Distributed Model developed by Centre for Ecology & Hydrology - set up in the Dove River catchment (UK) using 1km2 resolution radar rainfall as inputs and 15 min resolution gauged flow data for calibration and validation. Data assimilation procedures are implemented to improve flow predictions using observed flow data. Uncertainties in the radar rainfall data used in the model are quantified using artificial statistical error model described by Gaussian distribution and

  11. Aquaporin-4–dependent K+ and water transport modeled in brain extracellular space following neuroexcitation

    PubMed Central

    Jin, Byung-Ju; Zhang, Hua; Binder, Devin K.

    2013-01-01

    Potassium (K+) ions released into brain extracellular space (ECS) during neuroexcitation are efficiently taken up by astrocytes. Deletion of astrocyte water channel aquaporin-4 (AQP4) in mice alters neuroexcitation by reducing ECS [K+] accumulation and slowing K+ reuptake. These effects could involve AQP4-dependent: (a) K+ permeability, (b) resting ECS volume, (c) ECS contraction during K+ reuptake, and (d) diffusion-limited water/K+ transport coupling. To investigate the role of these mechanisms, we compared experimental data to predictions of a model of K+ and water uptake into astrocytes after neuronal release of K+ into the ECS. The model computed the kinetics of ECS [K+] and volume, with input parameters including initial ECS volume, astrocyte K+ conductance and water permeability, and diffusion in astrocyte cytoplasm. Numerical methods were developed to compute transport and diffusion for a nonstationary astrocyte–ECS interface. The modeling showed that mechanisms b–d, together, can predict experimentally observed impairment in K+ reuptake from the ECS in AQP4 deficiency, as well as altered K+ accumulation in the ECS after neuroexcitation, provided that astrocyte water permeability is sufficiently reduced in AQP4 deficiency and that solute diffusion in astrocyte cytoplasm is sufficiently low. The modeling thus provides a potential explanation for AQP4-dependent K+/water coupling in the ECS without requiring AQP4-dependent astrocyte K+ permeability. Our model links the physical and ion/water transport properties of brain cells with the dynamics of neuroexcitation, and supports the conclusion that reduced AQP4-dependent water transport is responsible for defective neuroexcitation in AQP4 deficiency. PMID:23277478

  12. Thermal radiation transport in a fluidized dry water system

    NASA Astrophysics Data System (ADS)

    Taylan, Onur; Berberoglu, Halil

    2013-05-01

    This paper reports a numerical study on thermal radiation transport in a novel material called dry water. Dry water is a water-in-air inverse foam which consists of micrometer-sized water droplets encapsulated by hydrophobic fumed-silica nanoparticles. First, the size distribution of dry water was measured using a particle size analyzer. Then, the radiation characteristics of dry water were obtained using the Mie theory for coated spheres. One-dimensional, steady radiative transport in fluidized dry water system was modeled using the radiative transport equation (RTE) and was solved spectrally with the discrete ordinates method. The effects of silica coating and water droplet size as well as the volume fraction of dry water particles on reducing radiative heat transfer were studied parametrically. The results obtained using the size distributions from experimental measurements at a volume fraction of 10-4 showed that dry water reduced the local radiative heat flux by more than 60% with respect to that by silica particles alone whereas its performance was comparable to that of fine water mists. Moreover, reduction of the diameter of dry water particles from 150 to 50 μm and increasing their volume fraction from 10-4 to 10-3 decreased the radiative heat flux by 45% and 67%, respectively. Dry water is a novel and unique material that does not require high pressure fluid lines for producing fine mists and features a silica shell that can serve to encapsulate water soluble compounds, retard water evaporation from the core as well as increase scattering. With these unique features, dry water finds diverse engineering applications serving as a base for photo-catalytic nanoreactors, gas and chemical storage and delivery systems, as well as alternative mist systems in firefighting.

  13. Incomplete water securitization in coupled hydro-human production sytems

    NASA Astrophysics Data System (ADS)

    van den Boom, B.; Pande, S.

    2012-04-01

    Due to the dynamics, the externalities and the contingencies involved in managing local water resource for production, the water allocation at basin-level is a subtle balance between laws of nature (gravity; flux) and laws of economics (price; productivity). We study this balance by looking at inter-temporal basin-level water resource allocations in which subbasins enjoy a certain degree of autonomy. Each subbasin is represented as an economic agent i, following a gravity ordering with i=1 representing the most upstream area and i=I the downstream boundary. The water allocation is modeled as a decentralized equilibrium in a coupled conceptual hydro-human production system. Agents i=1,2,...,I in the basin produce a composite good according to a technology that requires water as a main input and that is specific to the subbasin. Agent i manages her use Xi and her storage Si, conceptualizing surface and subsurface water, of water with the purpose of maximizing the utility derived from consumption Ci of the composite good, where Ci is a scalar and Xi and Si are vectors which are composed of one element for each time period and for each contingency. A natural way to consume the good would be to absorb the own production. Yet, the agent may have two more option, namely, she might get a social transfer from other agents or she could use an income from trading water securities with her contiguous neighbors. To study these options, we compare water allocations (Ci, Xi, Si) all i=1,2,...,I for three different settings. We look at allocations without water securitization (water autarky equilibrium EA) first. Next, we describe the imaginary case of full securitization (contingent water markets equilibrium ECM) and, in between, we study limited securitization (incomplete water security equilibrium EWS). We show that allocations under contingent water markets ECM are efficient in the sense that, for the prevailing production technologies, no other allocation exists that is at

  14. Models of Fate and Transport of Pollutants in Surface Waters

    ERIC Educational Resources Information Center

    Okome, Gloria Eloho

    2013-01-01

    There is the need to answer very crucial questions of "what happens to pollutants in surface waters?" This question must be answered to determine the factors controlling fate and transport of chemicals and their evolutionary state in surface waters. Monitoring and experimental methods are used in establishing the environmental states.…

  15. Water and heat transport in hilly red soil of southern China: I. Experiment and analysis*

    PubMed Central

    Lu, Jun; Huang, Zhi-zhen; Han, Xiao-fei

    2005-01-01

    Studies on coupled transfer of soil moisture and heat have been widely carried out for decades. However, little work has been done on red soils, widespread in southern China. The simultaneous transfer of soil moisture and heat depends on soil physical properties and the climate conditions. Red soil is heavy clay and high content of free iron and aluminum oxide. The climate conditions are characterized by the clear four seasons and the serious seasonal drought. The great annual and diurnal air temperature differences result in significant fluctuation in soil temperature in top layer. The closed and evaporating columns experiments with red soil were conducted to simulate the coupled transfer of soil water and heat under the overlaying and opening fields’ conditions, and to analyze the effects of soil temperature gradient on the water transfer and the effects of initial soil water contents on the transfer of soil water and heat. The closed and evaporating columns were designed similarly with about 18 °C temperatures differences between the top and bottom boundary, except of the upper end closed or exposed to the air, respectively. Results showed that in the closed column, water moved towards the cold end driven by temperature gradient, while the transported water decreased with the increasing initial soil water content until the initial soil water content reached to field capacity equivalent, when almost no changes for the soil moisture profile. In the evaporating column, the net transport of soil water was simultaneously driven by evaporation and temperature gradients, and the drier soil was more influenced by temperature gradient than by evaporation. In drier soil, it took a longer time for the temperature to reach equilibrium, because of more net amount of transported water. PMID:15822143

  16. Water and heat transport in hilly red soil of southern China: I. Experiment and analysis.

    PubMed

    Lu, Jun; Huang, Zhi-Zhen; Han, Xiao-Fei

    2005-05-01

    Studies on coupled transfer of soil moisture and heat have been widely carried out for decades. However, little work has been done on red soils, widespread in southern China. The simultaneous transfer of soil moisture and heat depended on soil physical properties and the climate conditions. Red soil is heavy clay and high content of free iron and aluminum oxide. The climate conditions are characterized by the clear four seasons and the serious seasonal drought. The great air temperature differences annually and diurnally result in significant fluctuation in soil temperature in top layer. The closed and evaporating columns experiments with red soil were conducted to simulate the coupled transfer of soil water and heat under the overlaying and opening fields' conditions, and to analyze the effects of soil temperature gradient on the water transfer and the effects of initial soil water contents on the transfer of soil water and heat. The closed and evaporating columns were designed similarly with about 18 degrees C temperatures differences between the top and bottom boundary, except of the upper end closed or exposed to the air, respectively. Results showed that in the closed column, water moved towards the cold end driven by temperature gradient, while the transported water decreased with the increasing initial soil water content until the initial soil water content reached to field capacity equivalent, when almost no changes for the soil moisture profile. In the evaporating column, the net transport of soil water was simultaneously driven by evaporation and temperature gradients, and the drier soil was more influenced by temperature gradient than by evaporation. In drier soil, it took a longer time for the temperature to reach equilibrium, because of more net amount of transported water. PMID:15822143

  17. Dynamics of magnetosphere-ionosphere coupling including turbulent transport

    NASA Technical Reports Server (NTRS)

    Lysak, R. L.; Dum, C. T.

    1983-01-01

    The dynamics of magnetosphere-ionosphere coupling has been investigated by means of a two-dimensional two-fluid MHD model including anomalous resistivity. When field-aligned current is generated on auroral field lines, the disturbance propagates toward the ionosphere in the form of a kinetic Alfven wave. When the current exceeds a critical value, microscopic turbulence is produced, which modifies the propagation of the Alfven wave. This process is modeled by a nonlinear collision frequency, which increases with the excess of the drift velocity over the critical value. The system evolves toward an electrostatic structure, with the perpendicular electric field having a shorter scale than the field-aligned current. The approach to a steady state is strongly dependent on the presence or absence of the turbulence and on the boundary conditions imposed in the generator. As current is increased or scale size is decreased, the turbulent region reflects and absorbs most of the Alfven wave energy, decoupling the generator from the ionosphere.

  18. CO2-ECBM related coupled physical and mechanical transport processes

    NASA Astrophysics Data System (ADS)

    Gensterblum, Y.; Sartorius, M.; Busch, A.; Krooss, B. M.; Littke, R.

    2012-12-01

    The interrelation of cleat transport processes and mechanical properties was investigated by permeability tests at different stress levels (60% to 130% of in-situ stress) with sorbing (CH4, CO2) and inert gases (N2, Ar, He) on a subbituminous A coal from the Surat Basin, Queensland Australia (figure). From the flow tests under controlled triaxial stress conditions the Klinkenberg-corrected "true" permeability coefficients and the Klinkenberg slip factors were derived. The "true"-, absolute or Klinkenberg-corrected permeability depends on gas type. Following the approach of Seidle et al. (1992) the cleat volume compressibility (cf) was calculated from observed changes in apparent permeability upon variation of external stress (at equal mean gas pressures). The observed effects also show a clear dependence on gas type. Due to pore or cleat compressibility the cleat aperture decreases with increasing effective stress. Vice versa, with increasing mean pore pressure at lower confining pressure an increase in permeability is observed, which is attributed to a widening of cleat aperture. Non-sorbing gases like helium and argon show higher apparent permeabilities than sorbing gases like methane and CO2. Permeability coefficients measured with successively increasing mean gas pressures were consistently lower than those determined at decreasing mean gas pressures. The kinetics of matrix transport processes were studied by sorption tests on different particle sizes at various moisture contents and temperatures (cf. Busch et al., 2006). Methane uptake rates were determined from the pressure decline curves recorded for each particle-size fraction, and "diffusion coefficients" were calculated using several unipore and bidisperse diffusion models. While the CH4 sorption capacity of moisture-equilibrated coals was significantly lower (by 50%) than that of dry coals, no hysteresis was observed between sorption and desorption on dry and moisture-equilibrated samples and the

  19. Evaluation of the Water Vapor Transport over the Yellow River Basin in CMIP5 Models

    NASA Astrophysics Data System (ADS)

    Bao, Jiawei; Feng, Jinming

    2014-05-01

    Temperature, precipitation and water vapor transport in China, particularly in the Yellow River Basin simulated by the 16 models participating in phase 5 of the Coupled Model Inter-comparison Project (CMIP5) were evaluated for the period 1979-2005. Results suggest that most CMIP5 models are able to capture the climatological distribution patterns and inter-annual variations of surface air temperature, but with cold bias. Most models reproduce the spatial distribution pattern of warming trends identical with observations. Models tend to overestimate precipitation with relative biases ranging from 4.59 % to 61.46 %. Compared with observations, most models simulate more precipitation over the east of Tibetan Plateau and less in southeastern coastal regions. The spatial distribution of precipitation trends displayed in the observations cannot be well simulated by most models. The underestimation of temperature and the overestimation of precipitation simulated by some models over the east of Tibetan Plateau may be related to the anomalously strong western Pacific subtropical high and sufficient water vapor transport from Indian Ocean and western Pacific Ocean. In terms of the Yellow River Basin, modeled water vapor mainly flows in from eastern boundary and out from the western boundary. Water vapor also flows in through the southern boundary, but with smaller intensity. Owing to the overestimation of water vapor convergence, some models tend to exaggerate the climatological precipitation. Additionally, we found that the summer water vapor budget and precipitation keep pace with each other, which is well reflected by the FIO-ESM model. Models can also reproduce this relation in the lower reaches, with the total water vapor budget correlated strongly with water vapor transport from eastern, western and southern boundaries, indicating that water vapor budget and even the precipitation are strongly influenced by the water vapor transport from Indian Ocean and western

  20. Liquid water transport mechanism in the gas diffusion layer

    NASA Astrophysics Data System (ADS)

    Zhou, P.; Wu, C. W.

    We developed an equivalent capillary model of a microscale fiber-fence structure to study the microscale evolution and transport of liquid in a porous media and to reveal the basic principles of water transport in gas diffusion layer (GDL). Analytical solutions using the model show that a positive hydraulic pressure is needed to drive the liquid water to penetrate through the porous GDL even consisting of the hydrophilic fibers. Several possible contributions for the water configuration, such as capillary pressure, gravity, vapor condensation, wettability and microstructures of the GDL, are discussed using the lattice Boltzmann method (LBM). It is found that the distribution manners of the fibers and the spatial mixed-wettability in the GDL also play an important role in the transport of liquid water.

  1. CO2-ECBM related coupled physical and mechanical transport processes

    NASA Astrophysics Data System (ADS)

    Gensterblum, Yves; Satorius, Michael; Busch, Andreas; Krooß, Bernhard

    2013-04-01

    The interrelation of cleat transport processes and mechanical properties was investigated by permeability tests at different stress levels (60% to 130% of in-situ stress) with sorbing (CH4, CO2) and inert gases (N2, Ar, He) on a sub bituminous A coal from the Surat Basin, Queensland Australia. From the flow tests under controlled triaxial stress conditions the Klinkenberg-corrected "true" permeability coefficients and the Klinkenberg slip factors were derived. The "true"-, absolute or Klinkenberg corrected permeability shows a gas type dependence. Following the approach of Seidle et al. (1992) the cleat volume compressibility (cf) was calculated from observed changes in apparent permeability upon variation of external stress (at equal mean gas pressures). The observed effects also show a clear dependence on gas type. Due to pore or cleat compressibility the cleat aperture decreases with increasing effective stress. Vice versa we observe with increasing mean pressure at lower confining pressure an increase in permeability which we attribute to a cleat aperture widening. The cleat volume compressibility (cf) also shows a dependence on the mean pore pressure. Non-sorbing gases like helium and argon show higher apparent permeabilities than sorbing gases like methane. Permeability coefficients measured with successively increasing mean gas pressures were consistently lower than those determined at decreasing mean gas pressures. This permeability hysteresis is in accordance with results reported by Harpalani and McPherson (1985). The kinetics of matrix transport processes were studied by sorption tests on different particle sizes at various moisture contents and temperatures (cf. Busch et al., 2006). Methane uptake rates were determined from the pressure decline curves recorded for each particle-size fraction, and "diffusion coefficients" were calculated using several unipore and bidisperse diffusion models. While the CH4 sorption capacity of moisture-equilibrated coals

  2. CO2-ECBM related coupled physical and mechanical transport processes

    NASA Astrophysics Data System (ADS)

    Gensterblum, Y.; Sartorius, M.; Busch, A.; Cumming, D.; Krooss, B. M.

    2012-04-01

    The interrelation of cleat transport processes and mechanical properties was investigated by permeability tests at different stress levels (60% to 130% of in-situ stress) with sorbing (CH4, CO2) and inert gases (N2, Ar, He) on a sub bituminous A coal from the Surat Basin, Queensland Australia. From the flow tests under controlled triaxial stress conditions the Klinkenberg-corrected "true" permeability coefficients and the Klinkenberg slip factors were derived. The "true"-, absolute or Klinkenberg corrected permeability shows a gas type dependence. Following the approach of Seidle et al. (1992) the cleat volume compressibility (cf) was calculated from observed changes in apparent permeability upon variation of external stress (at equal mean gas pressures). The observed effects also show a clear dependence on gas type. Due to pore or cleat compressibility the cleat aperture decreases with increasing effective stress. Vice versa we observe with increasing mean pressure at lower confining pressure an increase in permeability which we attribute to a cleat aperture widening. The cleat volume compressibility (cf) also shows a dependence on the mean pore pressure. Non-sorbing gases like helium and argon show higher apparent permeabilities than sorbing gases like methane. Permeability coefficients measured with successively increasing mean gas pressures were consistently lower than those determined at decreasing mean gas pressures. This permeability hysteresis is in accordance with results reported by Harpalani and McPherson (1985). The kinetics of matrix transport processes were studied by sorption tests on different particle sizes at various moisture contents and temperatures (cf. Busch et al., 2006). Methane uptake rates were determined from the pressure decline curves recorded for each particle-size fraction, and "diffusion coefficients" were calculated using several unipore and bidisperse diffusion models. While the CH4 sorption capacity of moisture-equilibrated coals

  3. The "independence principle" in the processes of water transport.

    PubMed Central

    Hernández, J A; Fischbarg, J

    1994-01-01

    The processes of membrane transport exhibiting permeability coefficients depending on the species activities do not obey the "independence principle" and are assumed to take place by a mechanism of discrete nature, analyzable by a kinetic formalism. In this article, we study the dependence of the osmotic permeability coefficient on the water activities, from the steady-state analysis of a kinetic model of single-file water transport that simultaneously incorporates the vacancy-mediated and "knock-on" mechanisms into the state diagram. In particular, we study the relation between the near-equilibrium osmotic permeability (Pe) and the equilibrium water activity of the compartments (w). The analysis and numerical calculations performed for a simple case of the model show that, for values of the parameters consistent with experimental data, Pe exhibits only a small variation with w within the physiological range in the majority of the situations considered here. It is not possible to predict, from the study of these simple models, whether more complicated kinetic diagrams of water transport may be characterized by permeability coefficients with a more evident dependence on the water activities. Nevertheless, the results obtained here suggest that, for the case of physiological water pores, the analysis of the kinetic dependence of the permeability coefficients on the water activities may not yield evidence pointing to a discrete nature for the transport process. PMID:7529582

  4. Release of Entropic Spring Reveals Conformational Coupling Mechanism in the ABC Transporter BtuCD-F.

    PubMed

    Prieß, Marten; Schäfer, Lars V

    2016-06-01

    Substrate translocation by ATP-binding cassette (ABC) transporters involves coupling of ATP binding and hydrolysis in the nucleotide-binding domains (NBDs) to conformational changes in the transmembrane domains. We used molecular dynamics simulations to investigate the atomic-level mechanism of conformational coupling in the ABC transporter BtuCD-F, which imports vitamin B12 across the inner membrane of Escherichia coli. Our simulations show how an engineered disulfide bond across the NBD dimer interface reduces conformational fluctuations and hence configurational entropy. As a result, the disulfide bond is under substantial mechanical stress. Releasing this entropic spring, as is the case in the wild-type transporter, combined with analyzing the pairwise forces between individual residues, unravels the coupling mechanism. The identified pathways along which force is propagated from the NBDs via the coupling helix to the transmembrane domains are composed of highly conserved residues, underlining their functional relevance. This study not only reveals the details of conformational coupling in BtuCD-F, it also provides a promising approach to other long-range conformational couplings, e.g., in ABC exporters or other ATP-driven molecular machines. PMID:27276259

  5. Coupled modeling of groundwater flow solute transport, chemical reactions and microbial processes in the 'SP' island

    SciTech Connect

    Samper, Javier; Molinero, Jorg; Changbing, Yang; Zhang, Guoxiang

    2003-12-01

    The Redox Zone Experiment was carried out at the Aespoe HRL in order to study the redox behavior and the hydrochemistry of an isolated vertical fracture zone disturbed by the excavation of an access tunnel. Overall results and interpretation of the Redox Zone Project were reported by /Banwart et al, 1995/. Later, /Banwart et al, 1999/ presented a summary of the hydrochemistry of the Redox Zone Experiment. Coupled groundwater flow and reactive transport models of this experiment were carried out by /Molinero, 2000/ who proposed a revised conceptual model for the hydrogeology of the Redox Zone Experiment which could explain simultaneously measured drawdown and salinity data. The numerical model was found useful to understand the natural system. Several conclusions were drawn about the redox conditions of recharge waters, cation exchange capacity of the fracture zone and the role of mineral phases such as pyrite, calcite, hematite and goethite. This model could reproduce the measured trends of dissolved species, except for bicarbonate and sulfate which are affected by microbially-mediated processes. In order to explore the role of microbial processes, a coupled numerical model has been constructed which accounts for water flow, reactive transport and microbial processes. The results of this model is presented in this report. This model accounts for groundwater flow and reactive transport in a manner similar to that of /Molinero, 2000/ and extends the preliminary microbial model of /Zhang, 2001/ by accounting for microbially-driven organic matter fermentation and organic matter oxidation. This updated microbial model considers simultaneously the fermentation of particulate organic matter by yeast and the oxidation of dissolved organic matter, a product of fermentation. Dissolved organic matter is produced by yeast and serves also as a substrate for iron-reducing bacteria. Model results reproduce the observed increase in bicarbonate and sulfate concentration, thus

  6. A multi-substrate single-file model for ion-coupled transporters.

    PubMed Central

    Su, A; Mager, S; Mayo, S L; Lester, H A

    1996-01-01

    Ion-coupled transporters are simulated by a model that differs from contemporary alternating-access schemes. Beginning with concepts derived from multi-ion pores, the model assumes that substrates (both inorganic ions and small organic molecules) hop a) between the solutions and binding sites and b) between binding sites within a single-file pore. No two substrates can simultaneously occupy the same site. Rate constants for hopping can be increased both a) when substrates in two sites attract each other into a vacant site between them and b) when substrates in adjacent sites repel each other. Hopping rate constants for charged substrates are also modified by the membrane field. For a three-site model, simulated annealing yields parameters to fit steady-state measurements of flux coupling, transport-associated currents, and charge movements for the GABA transporter GAT1. The model then accounts for some GAT1 kinetic data as well. The model also yields parameters that describe the available data for the rat 5-HT transporter and for the rabbit Na(+)-glucose transporter. The simulations show that coupled fluxes and other aspects of ion transport can be explained by a model that includes local substrate-substrate interactions but no explicit global conformational changes. Images FIGURE 1 FIGURE 2 FIGURE 9 PMID:8789093

  7. Active water transport in unicellular algae: where, why, and how.

    PubMed

    Raven, John A; Doblin, Martina A

    2014-12-01

    The occurrence of active water transport (net transport against a free energy gradient) in photosynthetic organisms has been debated for several decades. Here, active water transport is considered in terms of its roles, where it is found, and the mechanisms by which it could occur. First there is a brief consideration of the possibility of active water transport into plant xylem in the generation of root pressure and the refilling of embolized xylem elements, and from an unsaturated atmosphere into terrestrial organisms living in habitats with limited availability of liquid water. There is then a more detailed consideration of volume and osmotic regulation in wall-less freshwater unicells, and the possibility of generation of buoyancy in marine phytoplankton such as large-celled diatoms. Calculations show that active water transport is a plausible mechanism to assist cells in upwards vertical movements, requires less energy than synthesis of low-density organic solutes, and potentially on a par with excluding certain ions from the vacuole. PMID:25205578

  8. TACK—a program coupling chemical kinetics with a two-dimensional transport model in geochemical systems

    NASA Astrophysics Data System (ADS)

    Källvenius, Göran; Ekberg, Christian

    2003-05-01

    The Transport And Chemical Kinetics (TACK) program has been designed to make predictions of the chemistry in the vicinity of a planned repository for nuclear waste, i.e. SFL 3-5, where SFL is the Swedish abbreviation for "Swedish repository for long-lived waste". This implies modelling transport and chemistry in fractured rock. The system concerned in the modelling of SFL is leaching water from decommissioning waste in concrete. The concrete will raise the pH in the water to between 12 and 13.5. So far, only a few calculations have been made on such systems. Coupled transport and chemical reaction programs should be used, since the system is important for safety assessments of the repository. At least two of programs can be used for this kind of problem, for example OS3D/GIMRT and PHAST. As it is also important to consider the uncertainty of the model, the TACK program fills an important purpose here. A slightly different approach to the problem may give significantly different results. Because validation is generally not possible, using several programs is the only key to identifying conceptual uncertainties. To illustrate this point, comparative calculations have been made between TACK and the PHAST program. The calculations gave qualitatively similar result but quantitatively somewhat differing results. The TACK program couples the well known PHREEQC geochemical program with a two-dimensional transport model. The PHREEQC calculations include speciation of solutions and mineral reactions involving kinetics. The reasons for choosing this program are that it is quite a general one and is relatively stable at the high pH values present in the systems used. The transport phenomena taken into account in the model are advection, diffusion and dispersion in two dimensions.

  9. Single photon transport in two waveguides chirally coupled by a quantum emitter.

    PubMed

    Cheng, Mu-Tian; Ma, Xiao-San; Zhang, Jia-Yan; Wang, Bing

    2016-08-22

    We investigate single photon transport in two waveguides coupled to a two-level quantum emitter (QE). With the deduced analytical scattering amplitudes, we show that under condition of the chiral coupling between the QE and the photon in the two waveguides, the QE can play the role of ideal quantum router to redirect a single photon incident from one waveguide into the other waveguide with a probability of 100% in the ideal condition. The influences of cross coupling between two waveguides and dissipations on the routing are also shown. PMID:27557274

  10. Coupled Particle Transport and Pattern Formation in a Nonlinear Leaky-Box Model

    NASA Technical Reports Server (NTRS)

    Barghouty, A. F.; El-Nemr, K. W.; Baird, J. K.

    2009-01-01

    Effects of particle-particle coupling on particle characteristics in nonlinear leaky-box type descriptions of the acceleration and transport of energetic particles in space plasmas are examined in the framework of a simple two-particle model based on the Fokker-Planck equation in momentum space. In this model, the two particles are assumed coupled via a common nonlinear source term. In analogy with a prototypical mathematical system of diffusion-driven instability, this work demonstrates that steady-state patterns with strong dependence on the magnetic turbulence but a rather weak one on the coupled particles attributes can emerge in solutions of a nonlinearly coupled leaky-box model. The insight gained from this simple model may be of wider use and significance to nonlinearly coupled leaky-box type descriptions in general.

  11. Investigating water transport through the xylem network in vascular plants.

    PubMed

    Kim, Hae Koo; Park, Joonghyuk; Hwang, Ildoo

    2014-04-01

    Our understanding of physical and physiological mechanisms depends on the development of advanced technologies and tools to prove or re-evaluate established theories, and test new hypotheses. Water flow in land plants is a fascinating phenomenon, a vital component of the water cycle, and essential for life on Earth. The cohesion-tension theory (CTT), formulated more than a century ago and based on the physical properties of water, laid the foundation for our understanding of water transport in vascular plants. Numerous experimental tools have since been developed to evaluate various aspects of the CTT, such as the existence of negative hydrostatic pressure. This review focuses on the evolution of the experimental methods used to study water transport in plants, and summarizes the different ways to investigate the diversity of the xylem network structure and sap flow dynamics in various species. As water transport is documented at different scales, from the level of single conduits to entire plants, it is critical that new results be subjected to systematic cross-validation and that findings based on different organs be integrated at the whole-plant level. We also discuss the functional trade-offs between optimizing hydraulic efficiency and maintaining the safety of the entire transport system. Furthermore, we evaluate future directions in sap flow research and highlight the importance of integrating the combined effects of various levels of hydraulic regulation. PMID:24609652

  12. Coupled atmospheric, land surface, and subsurface modeling: Exploring water and energy feedbacks in three-dimensions

    NASA Astrophysics Data System (ADS)

    Davison, Jason H.; Hwang, Hyoun-Tae; Sudicky, Edward A.; Lin, John C.

    2015-12-01

    Human activities amplified by climate change pose a significant threat to the sustainability of water resources. Coupled climate-hydrologic simulations commonly predict these threats by combining shallow 1-D land surface models (LSMs) with traditional 2-D and 3-D hydrology models. However, these coupled models limit the moisture and energy-feedback dynamics to the shallow near-surface. This paper presents a novel analysis by applying an integrated variably-saturated subsurface/surface hydrology and heat transport model, HydroGeoSphere (HGS), as a land surface model (LSM). Furthermore, this article demonstrates the coupling of HGS to a simple 0-D atmospheric boundary layer (ABL) model. We then applied our coupled HGS-ABL model to three separate test cases and reproduced the strong correlation between the atmospheric energy balance to the depth of the groundwater table. From our simulations, we found that conventional LSMs may overestimate surface temperatures for extended drought periods because they underestimate the heat storage in the groundwater zone. Our final test case of the atmospheric response to drought conditions illustrated that deeper roots buffered the atmosphere better than shallow roots by maintaining higher latent heat fluxes, lower sensible heat fluxes, and lower surface and atmospheric temperatures.

  13. The Transportation of Debris by Running Water

    USGS Publications Warehouse

    Gilbert, Grove Karl; Murphy, Edward Charles

    1914-01-01

    Scope.-The finer debris transported by a stream is borne in suspension. The coarser is swept along the channel bed. The suspended load is readily sampled and estimated, and much is known as to its quantity. The bed load is inaccessible and we are without definite information as to its amount. The primary purpose of the investigation was to learn the laws which control the movement of bed load, and especially to determine how the quantity of load is related to the stream's slope and discharge and to the degree of comminution of the debris. Method.-To this end a laboratory was equipped at Berkeley, Cal., and experiments were performed in which each of the three conditions mentioned was separately varied and the resulting variations of load were observed and measured. Sand and gravel were sorted by sieves into grades of uniform size. Determinate discharges were used. In each experiment a specific load was fed to a stream of specific width and discharge, and measurement was made of the slope to which the stream automatically adjusted its bed so as to enable the current to transport the load. The slope factor.-For each combination of discharge, width, and grade of debris there is a slope, called competent slope, which limits transportation. With lower slopes there is no load, or the stream has no capacity for load. With higher slopes capacity exists; and increase of slope gives increase of capacity. The value of capacity is approximately proportional to a power of the excess of slope above competent slope. If S equal the stream's slope and sigma equal competent slope, then the stream's capacity varies as (S - sigma)n. This is not a deductive, but an empiric law. The exponent n has not a fixed value, but an indefinite series of values depending on conditions. Its range of values in the experience of the laboratory is from 0.93 to 2.37, the values being greater as the discharges are smaller or the debris is coarser. The discharge factor.-For each combination of width

  14. Computational study of effect of water finger on ion transport through water-oil interface

    NASA Astrophysics Data System (ADS)

    Kikkawa, Nobuaki; Wang, Lingjian; Morita, Akihiro

    2016-07-01

    When an ion transports from water to oil through water-oil interface, it accompanies hydrated water molecules and transiently forms a chain of water, called "water finger." We thoroughly investigated the role of the water finger in chloride ion transport through water-dichloromethane interface by using molecular dynamics technique. We developed a proper coordinate w to describe the water finger structure and calculated the free energy landscape and the friction for the ion transport as a function of ion position z and the water finger coordinate w. It is clearly shown that the formation and break of water finger accompanies an activation barrier for the ion transport, which has been overlooked in the conventional free energy curve along the ion position z. The present analysis of the friction does not support the hypothesis of augmented local friction (reduced local diffusion coefficient) at the interface. These results mean that the experimentally observed rate constants of interfacial ion transfer are reduced from the diffusion-limited one because of the activation barrier associated to the water finger, not the anomalous local diffusion. We also found that the nascent ion just after the break of water finger has excessive hydration water than that in the oil phase.

  15. Computational study of effect of water finger on ion transport through water-oil interface.

    PubMed

    Kikkawa, Nobuaki; Wang, Lingjian; Morita, Akihiro

    2016-07-01

    When an ion transports from water to oil through water-oil interface, it accompanies hydrated water molecules and transiently forms a chain of water, called "water finger." We thoroughly investigated the role of the water finger in chloride ion transport through water-dichloromethane interface by using molecular dynamics technique. We developed a proper coordinate w to describe the water finger structure and calculated the free energy landscape and the friction for the ion transport as a function of ion position z and the water finger coordinate w. It is clearly shown that the formation and break of water finger accompanies an activation barrier for the ion transport, which has been overlooked in the conventional free energy curve along the ion position z. The present analysis of the friction does not support the hypothesis of augmented local friction (reduced local diffusion coefficient) at the interface. These results mean that the experimentally observed rate constants of interfacial ion transfer are reduced from the diffusion-limited one because of the activation barrier associated to the water finger, not the anomalous local diffusion. We also found that the nascent ion just after the break of water finger has excessive hydration water than that in the oil phase. PMID:27394116

  16. Renewable Water: Direct Contact Membrane Distillation Coupled With Solar Ponds

    NASA Astrophysics Data System (ADS)

    Suarez, F. I.; Tyler, S. W.; Childress, A. E.

    2010-12-01

    The exponential population growth and the accelerated increase in the standard of living have increased significantly the global consumption of two precious resources: water and energy. These resources are intrinsically linked and are required to allow a high quality of human life. With sufficient energy, water may be harvested from aquifers, treated for potable reuse, or desalinated from brackish and seawater supplies. Even though the costs of desalination have declined significantly, traditional desalination systems still require large quantities of energy, typically from fossil fuels that will not allow these systems to produce water in a sustainable way. Recent advances in direct contact membrane distillation can take advantage of low-quality or renewable heat to desalinate brackish water, seawater or wastewater. Direct contact membrane distillation operates at low pressures and can use small temperature differences between the feed and permeate water to achieve a significant freshwater production. Therefore, a much broader selection of energy sources can be considered to drive thermal desalination. A promising method for providing renewable source of heat for direct contact membrane distillation is a solar pond, which is an artificially stratified water body that captures solar radiation and stores it as thermal energy at the bottom of the pond. In this work, a direct contact membrane distillation/solar pond coupled system is modeled and tested using a laboratory-scale system. Freshwater production rates on the order of 2 L day-1 per m2 of solar pond (1 L hr-1 per m2 of membrane area) can easily be achieved with minimal operating costs and under low pressures. While these rates are modest, they are six times larger than those produced by other solar pond-powered desalination systems - and they are likely to be increased if heat losses in the laboratory-scale system are reduced. Even more, this system operates at much lower costs than traditional desalination

  17. Coupling Seepage and Radionuclide Transport in and Around Emplacement Drifts at Yucca Mountain

    NASA Astrophysics Data System (ADS)

    Zhang, G.; Spycher, N.; Sonnenthal, E.; Steefel, C.

    2007-12-01

    The proposed nuclear waste repository of the United States is located at Yucca Mountain, Nevada. Waste packages will be placed in deep (~350 m) underground drifts in volcanic tuff. Seepage may potentially occur at the repository drifts when the drifts get rewetted after a dryout period. The potential seepage water will be quickly evaporated or boiled to near dryness as long as it falls on the top of the hot waste package leading to formation of brine, precipitation of salts and volatilization of gases. These processes may potentially impact the long-term safety of waste packages in the drift. The objectives of this study are to: (1) develop a quantitative model of coupled thermal, hydrological, and chemical (THC) processes potentially leading to brine formation, salt precipitation and gas volatilization on top of waste packages and/or a drip shield and (2) dynamically integrate such a model into the larger-scale models of processes within and around waste emplacement drifts, as well as into the smaller-scale waste-package corrosion models. Process models were implemented into an existing reactive transport numerical simulator, TOUGHREACT, to allow modeling of (1) evaporative concentration to very high ionic strength (up to 40 molal), (2) boiling point elevation due to dissolved salts, (3) boiling/evaporation to dryness, and (4) salt deliquescence. An integrated near-field and in-drift THC simulation was run using a vertical 2-D grid extending from near the ground surface to the groundwater table, and covering a width equal to half the design drift spacing of 81 m. The integrated model was then used to simulate a discrete dripping event within the drift. The model considered the release of radionuclides into seepage water as this water contacts the waste package and flows through the invert. The precipitation of uranophane and Np-uranophane was also considered. These minerals form in the invert from the neutralization of mildly acidic seepage water by clay minerals

  18. NUTRIENT SOUIRCES, TRANSPORT, AND FATE IN COUPLED WATERSHED-ESTUARINE SYSTEMS OF COASTAL ALABAMA

    EPA Science Inventory

    The processes regulating sources, transport, and fate of nutrients were studied in 3 coupled watershed-estuarine systems that varied mainly by differences in the dominant land use-land cover (LULC), i.e. Weeks Bay -- agriculture, Dog River -- urban, and Fowl River -- forest. Mea...

  19. Coupled Factors Influencing Concentration Dependent Colloid Transport and Retention in Saturated Porous Media

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The coupled influence of input suspension concentration (Ci), ionic strength (IS) and hydrodynamics on the transport and retention of 1.1 'm carboxyl modified latex colloids in saturated quartz sand (150 'm) was investigated. Results from batch experiments and interaction energy calculations indica...

  20. Coupled Factors Influencing the Transport and Retention of Cryptosporidium Parvum Oocysts in Saturated Porous Media

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The coupled role of solution ionic strength (IS), system hydrodynamics and pore structure on the transport and retention of viable Cryptosporidium parvum oocyst was investigated via batch, packed-bed column, and micromodel systems. The experiments were conducted over a wide range of IS (0.1-100 mM)...

  1. The Transporter-Opsin-G protein-coupled receptor (TOG) Superfamily

    PubMed Central

    Yee, Daniel C.; Shlykov, Maksim A.; Västermark, Åke; Reddy, Vamsee S.; Arora, Sumit; Sun, Eric I.; Saier, Milton H.

    2013-01-01

    Visual Rhodopsins (VR) are recognized members of the large and diverse family of G protein-coupled receptors (GPCRs), but their evolutionary origin and relationships to other proteins, are not known. In an earlier publication (Shlykov et al., 2012), we characterized the 4-Toulene Sulfonate Uptake Permease (TSUP) family of transmembrane proteins, showing that these 7 or 8 TMS proteins arose by intragenic duplication of a 4 TMS-encoding gene, sometimes followed by loss of a terminal TMS. In this study, we show that the TSUP, GPCR and Microbial Rhodopsin (MR) families are related to each other and to six other currently recognized transport protein families. We designate this superfamily the Transporter-Opsin-G protein-coupled receptor (TOG) Superfamily. Despite their 8 TMS origins, members of most constituent families exhibit 7 TMS topologies that are well conserved, and these arose by loss of either the N-terminal (more frequent) or the C-terminal (less frequent) TMS, depending on the family. Phylogenetic analyses revealed familial relationships within the superfamily and protein relationships within each of the nine families. The statistical analyses leading to the conclusion of homology were confirmed using HMMs, Pfam, and 3D superimpositions. Proteins functioning by dissimilar mechanisms (channels, primary active transporters, secondary active transporters, group translocators and receptors) are interspersed on a phylogenetic tree of the TOG superfamily, suggesting that changes in the transport and energy-coupling mechanisms occurred multiple times during the evolution of this superfamily. PMID:23981446

  2. Coupling Substrate and Ion Binding to Extracellular Gate of a Sodium-Dependent Aspartate Transporter

    SciTech Connect

    Boudker,O.; Ryan, R.; Yernool, D.; Shimamoto, K.; Gouaux, E.

    2007-01-01

    Secondary transporters are integral membrane proteins that catalyze the movement of substrate molecules across the lipid bilayer by coupling substrate transport to one or more ion gradients, thereby providing a mechanism for the concentrative uptake of substrates. Here we describe crystallographic and thermodynamic studies of Glt{sub Ph}, a sodium (Na{sup +})-coupled aspartate transporter, defining sites for aspartate, two sodium ions and D,L-threo-{beta}-benzyloxyaspartate, an inhibitor. We further show that helical hairpin 2 is the extracellular gate that controls access of substrate and ions to the internal binding sites. At least two sodium ions bind in close proximity to the substrate and these sodium-binding sites, together with the sodium-binding sites in another sodium-coupled transporter, LeuT, define an unwound {alpha}-helix as the central element of the ion-binding motif, a motif well suited to the binding of sodium and to participation in conformational changes that accompany ion binding and unbinding during the transport cycle.

  3. Controllable single-photon transport between remote coupled-cavity arrays

    NASA Astrophysics Data System (ADS)

    Qin, Wei; Nori, Franco

    2016-03-01

    We develop an approach for controllable single-photon transport between two remote one-dimensional coupled-cavity arrays, used as quantum registers, mediated by an additional one-dimensional coupled-cavity array, acting as a quantum channel. A single two-level atom located inside one cavity of the intermediate channel is used to control the long-range coherent quantum coupling between two remote registers, thereby functioning as a quantum switch. With a time-independent perturbative treatment, we find that the leakage of quantum information can in principle be made arbitrarily small. Furthermore, our method can be extended to realize a quantum router in multiregister quantum networks, where single-photons can be either stored in one of the registers or transported to another on demand. These results are confirmed by numerical simulations.

  4. Well-to-Wheels Water Consumption: Tracking the Virtual Flow of Water into Transportation

    NASA Astrophysics Data System (ADS)

    Lampert, D. J.; Elgowainy, A.; Hao, C.

    2015-12-01

    Water and energy resources are fundamental to life on Earth and essential for the production of consumer goods and services in the economy. Energy and water resources are heavily interdependent—energy production consumes water, while water treatment and distribution consume energy. One example of this so-called energy-water nexus is the consumption of water associated with the production of transportation fuels. The Greenhouse Gases, Regulated Emissions, and Energy Use in Transportation (GREET) model is an analytical tool that can be used to compare the environmental impacts of different transportation fuels on a consistent basis. In this presentation, the expansion of GREET to perform life cycle water accounting or the "virtual flow" of water into transportation and other energy sectors and the associated implications will be discussed. The results indicate that increased usage of alternative fuels may increase freshwater resource consumption. The increased water consumption must be weighed against the benefits of decreased greenhouse gas and fossil energy consumption. Our analysis highlights the importance of regionality, co-product allocation, and consistent system boundaries when comparing the water intensity of alternative transportation fuel production pathways such as ethanol, biodiesel, compressed natural gas, hydrogen, and electricity with conventional petroleum-based fuels such as diesel and gasoline.

  5. Structural Determinants of Water Permeation through the Sodium-Galactose Transporter vSGLT

    PubMed Central

    Adelman, Joshua L.; Sheng, Ying; Choe, Seungho; Abramson, Jeff; Wright, Ernest M.; Rosenberg, John M.; Grabe, Michael

    2014-01-01

    Sodium-glucose transporters (SGLTs) facilitate the movement of water across the cell membrane, playing a central role in cellular homeostasis. Here, we present a detailed analysis of the mechanism of water permeation through the inward-facing state of vSGLT based on nearly 10 μs of molecular dynamics simulations. These simulations reveal the transient formation of a continuous water channel through the transporter that permits water to permeate the protein. Trajectories in which spontaneous release of galactose is observed, as well as those in which galactose remains in the binding site, show that the permeation rate, although modulated by substrate occupancy, is not tightly coupled to substrate release. Using a, to our knowledge, novel channel-detection algorithm, we identify the key residues that control water flow through the transporter and show that solvent gating is regulated by side-chain motions in a small number of residues on the extracellular face. A sequence alignment reveals the presence of two insertion sites in mammalian SGLTs that flank these outer-gate residues. We hypothesize that the absence of these sites in vSGLT may account for the high water permeability values for vSGLT determined via simulation compared to the lower experimental estimates for mammalian SGLT1. PMID:24655503

  6. Role of water states on water uptake and proton transport in Nafion using molecular simulations and bimodal network

    SciTech Connect

    Hwang, Gi Suk; Kaviany, Massoud; Gostick, Jeffrey T.; Kientiz, Brian; Weber, Adam Z.; Kim, Moo Hwan

    2011-04-07

    In this paper, using molecular simulations and a bimodal-domain network, the role of water state on Nafion water uptake and water and proton transport is investigated. Although the smaller domains provide moderate transport pathways, their effectiveness remains low due to strong, resistive water molecules/domain surface interactions. Finally, the water occupancy of the larger domains yields bulk-like water, and causes the observed transition in the water uptake and significant increases in transport properties.

  7. Transport and sorption of volatile organic compounds and water vapor in porous media

    SciTech Connect

    Lin, Tsair-Fuh

    1995-07-01

    To gain insight on the controlling mechanisms for VOC transport in porous media, the relations among sorbent properties, sorption equilibrium and intraparticle diffusion processes were studied at the level of individual sorbent particles and laboratory columns for soil and activated carbon systems. Transport and sorption of VOCs and water vapor were first elucidated within individual dry soil mineral grains. Soil properties, sorption capacity, and sorption rates were measured for 3 test soils; results suggest that the soil grains are porous, while the sorption isotherms are nonlinear and adsorption-desorption rates are slow and asymmetric. An intragranular pore diffusion model coupled with the nonlinear Freundlich isotherm was developed to describe the sorption kinetic curves. Transport of benzene and water vapor within peat was studied; partitioning and sorption kinetics were determined with an electrobalance. A dual diffusion model was developed. Transport of benzene in dry and moist soil columns was studied, followed by gaseous transport and sorption in activated carbon. The pore diffusion model provides good fits to sorption kinetics for VOCs to soil and VOC to granular activated carbon and activated carbon fibers. Results of this research indicate that: Intraparticle diffusion along with a nonlinea sorption isotherm are responsible for the slow, asymmetric sorption-desorption. Diffusion models are able to describe results for soil and activated carbon systems; when combined with mass transfer equations, they predict column breakthrough curves for several systems. Although the conditions are simplified, the mechanisms should provide insight on complex systems involving transport and sorption of vapors in porous media.

  8. Water and Molecular Transport across Nanopores in Monolayer Graphene Membranes

    NASA Astrophysics Data System (ADS)

    Jang, Doojoon; O'Hern, Sean; Kidambi, Piran; Boutilier, Michael; Song, Yi; Idrobo, Juan-Carlos; Kong, Jing; Laoui, Tahar; Karnik, Rohit

    2015-11-01

    Graphene's atomic thickness and high tensile strength allow it to outstand as backbone material for next-generation high flux separation membrane. Molecular dynamics simulations predicted that a single-layer graphene membrane could exhibit high permeability and selectivity for water over ions/molecules, qualifying as novel water desalination membranes. However, experimental investigation of water and molecular transport across graphene nanopores had remained barely explored due to the presence of intrinsic defects and tears in graphene. We introduce two-step methods to seal leakage across centimeter scale single-layer graphene membranes create sub-nanometer pores using ion irradiation and oxidative etching. Pore creation parameters were varied to explore the effects of created pore structures on water and molecular transport driven by forward osmosis. The results demonstrate the potential of nanoporous graphene as a reliable platform for high flux nanofiltration membranes.

  9. Heat and water transport in a polymer electrolyte fuel cell electrode

    SciTech Connect

    Mukherjee, Partha P; Mukundan, Rangachary; Borup, Rod L; Ranjan, Devesh

    2010-01-01

    In the present scenario of a global initiative toward a sustainable energy future, the polymer electrolyte fuel cell (PEFC) has emerged as one of the most promising alternative energy conversion devices for various applications. Despite tremendous progress in recent years, a pivotal performance limitation in the PEFC comes from liquid water transport and the resulting flooding phenomena. Liquid water blocks the open pore space in the electrode and the fibrous diffusion layer leading to hindered oxygen transport. The electrode is also the only component in the entire PEFC sandwich which produces waste heat from the electrochemical reaction. The cathode electrode, being the host to several competing transport mechanisms, plays a crucial role in the overall PEFC performance limitation. In this work, an electrode model is presented in order to elucidate the coupled heat and water transport mechanisms. Two scenarios are specifically considered: (1) conventional, Nafion{reg_sign} impregnated, three-phase electrode with the hydrated polymeric membrane phase as the conveyer of protons where local electro-neutrality prevails; and (2) ultra-thin, two-phase, nano-structured electrode without the presence of ionomeric phase where charge accumulation due to electro-statics in the vicinity of the membrane-CL interface becomes important. The electrode model includes a physical description of heat and water balance along with electrochemical performance analysis in order to study the influence of electro-statics/electro-migration and phase change on the PEFC electrode performance.

  10. Quantification of Water Absorption and Transport in Parchment

    NASA Astrophysics Data System (ADS)

    Herringer, Susan N.; Bilheux, Hassina Z.; Bearman, Greg

    Neutron radiography was utilized to quantify water absorption and desorption in parchment at the High Flux Isotope Reactor CG-1D imaging facility at Oak Ridge National Laboratory (ORNL). Sequential 60s radiographs of sections of a 15th century parchment were taken as the parchment underwent wetting and drying cycles. This provided time-resolved visualization and quantification of water absorption and transport in parchment.

  11. Modeling of diagenesis in relation to coupled mass and heat transport

    SciTech Connect

    Ondrak, R.

    1996-12-31

    Pore fluid flow is an important factor influencing the diagenetic evolution of rocks, as has been shown by various diagenetic studies, especially in connection with fluid inclusion measurements. A 3D- computer model is presented, which allows to simulate coupled mass and heat transport in porous rocks. The model is used to study the interaction of heat and mass transport with respect to the temporal and spatial evolution of sandstones. Mineral dissolution or precipitation change the mineralogical composition of rocks, and modify the physical properties at the same time. Altering the permeability of the rock affects the fluid flow system in the rock which determines the mass transport of the entire system. In addition to mass transport, fluid flow transports thermal energy, which may modify the temperature evolution of the rock. The model will be used to examine the effect of convective heat and mass transport on temperature and diagenetic evolution of clastic rocks. Although the model cannot claim to simulate nature, it can be used to study the effect of different mechanisms, and their interaction within the coupled system. For practical applications, the model may be used to determine possible flow rates, which are necessary to explain the observed diagenetic and thermal history of sandstones.

  12. Eolian transport of geogenic hexavalent chromium to ground water

    USGS Publications Warehouse

    Wood, W.W.; Clark, D.; Imes, J.L.; Councell, T.B.

    2010-01-01

    A conceptual model of eolian transport is proposed to address the widely distributed, high concentrations of hexavalent chromium (Cr+6) observed in ground water in the Emirate of Abu Dhabi, United Arab Emirates. Concentrations (30 to more than 1000 μg/L Cr+6) extend over thousands of square kilometers of ground water systems. It is hypothesized that the Cr is derived from weathering of chromium-rich pyroxenes and olivines present in ophiolite sequence of the adjacent Oman (Hajar) Mountains. Cr+3 in the minerals is oxidized to Cr+6 by reduction of manganese and is subsequently sorbed on iron and manganese oxide coatings of particles. When the surfaces of these particles are abraded in this arid environment, they release fine, micrometer-sized, coated particles that are easily transported over large distances by wind and subsequently deposited on the surface. During ground water recharge events, the readily soluble Cr+6 is mobilized by rain water and transported by advective flow into the underlying aquifer. Chromium analyses of ground water, rain, dust, and surface (soil) deposits are consistent with this model, as are electron probe analyses of clasts derived from the eroding Oman ophiolite sequence. Ground water recharge flux is proposed to exercise some control over Cr+6 concentration in the aquifer.

  13. CFD Model of Water Droplet Transport for ISS Hygiene Activity

    NASA Technical Reports Server (NTRS)

    Son, Chang H.

    2011-01-01

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

  14. Mechanism of coupling drug transport reactions located in two different membranes.

    PubMed

    Zgurskaya, Helen I; Weeks, Jon W; Ntreh, Abigail T; Nickels, Logan M; Wolloscheck, David

    2015-01-01

    Gram- negative bacteria utilize a diverse array of multidrug transporters to pump toxic compounds out of the cell. Some transporters, together with periplasmic membrane fusion proteins (MFPs) and outer membrane channels, assemble trans-envelope complexes that expel multiple antibiotics across outer membranes of Gram-negative bacteria and into the external medium. Others further potentiate this efflux by pumping drugs across the inner membrane into the periplasm. Together these transporters create a powerful network of efflux that protects bacteria against a broad range of antimicrobial agents. This review is focused on the mechanism of coupling transport reactions located in two different membranes of Gram-negative bacteria. Using a combination of biochemical, genetic and biophysical approaches we have reconstructed the sequence of events leading to the assembly of trans-envelope drug efflux complexes and characterized the roles of periplasmic and outer membrane proteins in this process. Our recent data suggest a critical step in the activation of intermembrane efflux pumps, which is controlled by MFPs. We propose that the reaction cycles of transporters are tightly coupled to the assembly of the trans-envelope complexes. Transporters and MFPs exist in the inner membrane as dormant complexes. The activation of complexes is triggered by MFP binding to the outer membrane channel, which leads to a conformational change in the membrane proximal domain of MFP needed for stimulation of transporters. The activated MFP-transporter complex engages the outer membrane channel to expel substrates across the outer membrane. The recruitment of the channel is likely triggered by binding of effectors (substrates) to MFP or MFP-transporter complexes. This model together with recent structural and functional advances in the field of drug efflux provides a fairly detailed understanding of the mechanism of drug efflux across the two membranes. PMID:25759685

  15. Mechanism of coupling drug transport reactions located in two different membranes

    PubMed Central

    Zgurskaya, Helen I.; Weeks, Jon W.; Ntreh, Abigail T.; Nickels, Logan M.; Wolloscheck, David

    2015-01-01

    Gram- negative bacteria utilize a diverse array of multidrug transporters to pump toxic compounds out of the cell. Some transporters, together with periplasmic membrane fusion proteins (MFPs) and outer membrane channels, assemble trans-envelope complexes that expel multiple antibiotics across outer membranes of Gram-negative bacteria and into the external medium. Others further potentiate this efflux by pumping drugs across the inner membrane into the periplasm. Together these transporters create a powerful network of efflux that protects bacteria against a broad range of antimicrobial agents. This review is focused on the mechanism of coupling transport reactions located in two different membranes of Gram-negative bacteria. Using a combination of biochemical, genetic and biophysical approaches we have reconstructed the sequence of events leading to the assembly of trans-envelope drug efflux complexes and characterized the roles of periplasmic and outer membrane proteins in this process. Our recent data suggest a critical step in the activation of intermembrane efflux pumps, which is controlled by MFPs. We propose that the reaction cycles of transporters are tightly coupled to the assembly of the trans-envelope complexes. Transporters and MFPs exist in the inner membrane as dormant complexes. The activation of complexes is triggered by MFP binding to the outer membrane channel, which leads to a conformational change in the membrane proximal domain of MFP needed for stimulation of transporters. The activated MFP-transporter complex engages the outer membrane channel to expel substrates across the outer membrane. The recruitment of the channel is likely triggered by binding of effectors (substrates) to MFP or MFP-transporter complexes. This model together with recent structural and functional advances in the field of drug efflux provides a fairly detailed understanding of the mechanism of drug efflux across the two membranes. PMID:25759685

  16. Transport through an impurity tunnel coupled to a Si/SiGe quantum dot

    SciTech Connect

    Foote, Ryan H. Ward, Daniel R.; Thorgrimsson, Brandur; Savage, D. E.; Friesen, Mark; Coppersmith, S. N.; Eriksson, M. A.; Prance, J. R.; Gamble, John King; Nielsen, Erik; Saraiva, A. L.

    2015-09-07

    Achieving controllable coupling of dopants in silicon is crucial for operating donor-based qubit devices, but it is difficult because of the small size of donor-bound electron wavefunctions. Here, we report the characterization of a quantum dot coupled to a localized electronic state and present evidence of controllable coupling between the quantum dot and the localized state. A set of measurements of transport through the device enable the determination that the most likely location of the localized state is consistent with a location in the quantum well near the edge of the quantum dot. Our results are consistent with a gate-voltage controllable tunnel coupling, which is an important building block for hybrid donor and gate-defined quantum dot devices.

  17. Quantum transport through a Coulomb blockaded quantum emitter coupled to a plasmonic dimer.

    PubMed

    Goker, A; Aksu, H

    2016-01-21

    We study the electron transmission through a Coulomb blockaded quantum emitter coupled to metal nanoparticles possessing plasmon resonances by employing the time-dependent non-crossing approximation. We find that the coupling of the nanoparticle plasmons with the excitons results in a significant enhancement of the conductance through the discrete state with higher energy beyond the unitarity limit while the other discrete state with lower energy remains Coulomb blockaded. We show that boosting the plasmon-exciton coupling well below the Kondo temperature increases the enhancement adding another quantum of counductance upon saturation. Finite bias and increasing emitter resonance energy tend to reduce this enhancement. We attribute these observations to the opening of an additional transport channel via the plasmon-exciton coupling. PMID:26686761

  18. Transport through an impurity tunnel coupled to a Si/SiGe quantum dot

    NASA Astrophysics Data System (ADS)

    Foote, Ryan H.; Ward, Daniel R.; Prance, J. R.; Gamble, John King; Nielsen, Erik; Thorgrimsson, Brandur; Savage, D. E.; Saraiva, A. L.; Friesen, Mark; Coppersmith, S. N.; Eriksson, M. A.

    2015-09-01

    Achieving controllable coupling of dopants in silicon is crucial for operating donor-based qubit devices, but it is difficult because of the small size of donor-bound electron wavefunctions. Here, we report the characterization of a quantum dot coupled to a localized electronic state and present evidence of controllable coupling between the quantum dot and the localized state. A set of measurements of transport through the device enable the determination that the most likely location of the localized state is consistent with a location in the quantum well near the edge of the quantum dot. Our results are consistent with a gate-voltage controllable tunnel coupling, which is an important building block for hybrid donor and gate-defined quantum dot devices.

  19. Transient analysis of water transport in PEM fuel cells

    NASA Astrophysics Data System (ADS)

    Yan, Wei-Mon; Chu, Hsin-Sen; Chen, Jian-Yao; Soong, Chyi-Yeou; Chen, Falin

    This paper theoretically studies the water transport phenomena in PEM fuel cells, mainly investigating the transient behavior in the gas diffusion layer (GDL), catalyst layer (CL) and proton exchange membrane (PEM). In the PEM, both diffusion and electro-osmosis processes are considered, while in the GDL and CL, only diffusion process is taken into account. The process of water uptake is employed to account for the water transport at the interface between the PEM and CL. The results indicate that the water content in the PEM and the time for reaching the steady state in the start-up process are influenced by the humidification constant, k, the humidification, and the thickness of PEM. The rise of the k increases the water content in the membrane and shortens the time for reaching the steady state. Insufficient humidification causes relatively small water content and long steady time. When the PEM is thinner, the water is more uniformly distributed, the water content gets higher, and the time for reaching the steady state is distinctly shorter.

  20. Quantifying impacts of coupled chemical and physical heterogeneity on water quality evolution during Aquifer Storage and Recovery

    NASA Astrophysics Data System (ADS)

    Deng, H.; Descourvieres, C.; Seibert, S.; Harris, B.; Atteia, O.; Siade, A. J.; Prommer, H.

    2014-12-01

    Aquifer storage and recovery (ASR) is an important water management option in water-scarce regions. During wet periods surplus water is injected into suitable aquifers for storage and later recovery. ASR sites are, however, also ideal natural laboratories that provide opportunities for studying coupled physical and geochemical processes and water quality evolution at field-scale under well-controlled hydrological conditions. In this study, we use reactive transport modelling to assess the impacts of physical and chemical heterogeneities on the water quality evolution during the injection of oxic surface water into the anoxic, pyrite-bearing Leederville aquifer in Perth, Western Australia. Physical heterogeneity was identified from geophysical well logs and time lapse temperature logs. Those data were used to define the spatial, depth-varying alternation of three lithofacies (sandstone, siltstone and clay). Chemical heterogeneity was incorporated through distinct chemical zones, based on data derived from a comprehensive pre-trial geochemical characterization and from dedicated laboratory respirometer experiments. Calibration of flow and conservative transport parameters was constrained by the spatially varying measured chloride breakthrough behavior. Subsequent reactive transport modeling discerned the key geochemical processes that affected the water quality evolution during ASR. Clearly identified processes included oxidation of pyrite, mineralization of sedimentary organic carbon, ion exchange, dissolution of calcite and precipitation of ferrihydrite and siderite. We use the calibrated model to analyze the individual and the combined effects of the physical and chemical heterogeneities on the chemical composition of the recovered water during ASR.

  1. Classroom Techniques to Illustrate Water Transport in Plants

    ERIC Educational Resources Information Center

    Lakrim, Mohamed

    2013-01-01

    The transport of water in plants is among the most difficult and challenging concepts to explain to students. It is even more difficult for students enrolled in an introductory general biology course. An easy approach is needed to demonstrate this complex concept. I describe visual and pedagogical examples that can be performed quickly and easily…

  2. Pupils' Response to a Model for Water Transport.

    ERIC Educational Resources Information Center

    Johnstone, A. H.; Mahmoud, N. A.

    1981-01-01

    Described is a model, based on the physical sciences, designed to teach secondary students about water transport through the use of an animated film. Pupils (N=440) taught by this method developed a self-consistent, although reduced, picture and understanding of osmosis. (Author/DC)

  3. Water Transport in Trees--An Artificial Laboratory Tree

    ERIC Educational Resources Information Center

    Susman, K.; Razpet, N.; Cepic, M.

    2011-01-01

    Water transport in tall trees is an everyday phenomenon, seldom noticed and not completely understood even by scientists. As a topic of current research in plant physiology it has several advantages for presentation within school physics lectures: it is interdisciplinary and clearly shows the connection between physics and biology; the…

  4. VIRAL TRANSPORT AND FATE MODELS FOR GROUND WATER VULNERABILITY

    EPA Science Inventory

    The purpose of this project is to develop a model to assess the vulnerability of public water systems to pathogens. It is focused on the sources, fate and transport of viruses in aquifer systems in specific hydrologic settings. It's intended to be used by resource managers or r...

  5. Structural insight in the toppling mechanism of an energy-coupling factor transporter

    PubMed Central

    Swier, Lotteke J. Y. M.; Guskov, Albert; Slotboom, Dirk J.

    2016-01-01

    Energy-coupling factor (ECF) transporters mediate uptake of micronutrients in prokaryotes. The transporters consist of an S-component that binds the transported substrate and an ECF module (EcfAA′T) that binds and hydrolyses ATP. The mechanism of transport is poorly understood but presumably involves an unusual step in which the membrane-embedded S-component topples over to carry the substrate across the membrane. In many ECF transporters, the S-component dissociates from the ECF module after transport. Subsequently, substrate-bound S-components out-compete the empty proteins for re-binding to the ECF module in a new round of transport. Here we present crystal structures of the folate-specific transporter ECF–FolT from Lactobacillus delbrueckii. Interaction of the ECF module with FolT stabilizes the toppled state, and simultaneously destroys the high-affinity folate-binding site, allowing substrate release into the cytosol. We hypothesize that differences in the kinetics of toppling can explain how substrate-loaded FolT out-competes apo-FolT for association with the ECF module. PMID:27026363

  6. Transport of quantum excitations coupled to spatially extended nonlinear many-body systems

    NASA Astrophysics Data System (ADS)

    Iubini, Stefano; Boada, Octavi; Omar, Yasser; Piazza, Francesco

    2015-11-01

    The role of noise in the transport properties of quantum excitations is a topic of great importance in many fields, from organic semiconductors for technological applications to light-harvesting complexes in photosynthesis. In this paper we study a semi-classical model where a tight-binding Hamiltonian is fully coupled to an underlying spatially extended nonlinear chain of atoms. We show that the transport properties of a quantum excitation are subtly modulated by (i) the specific type (local versus non-local) of exciton-phonon coupling and by (ii) nonlinear effects of the underlying lattice. We report a non-monotonic dependence of the exciton diffusion coefficient on temperature, in agreement with earlier predictions, as a direct consequence of the lattice-induced fluctuations in the hopping rates due to long-wavelength vibrational modes. A standard measure of transport efficiency confirms that both nonlinearity in the underlying lattice and off-diagonal exciton-phonon coupling promote transport efficiency at high temperatures, preventing the Zeno-like quench observed in other models lacking an explicit noise-providing dynamical system.

  7. INFLUENCE OF COUPLED PROCESSES ON CONTAMINANT FATE AND TRANSPORT IN SUBSURFACE ENVIRONMENTS

    SciTech Connect

    Jardine, Philip M

    2008-01-01

    The following chapter emphasizes subsurface environmental research investigations over the past 10 to 15 years that couple hydrological, geochemical, and biological processes as related to contaminant fate and transport. An attempt is made to focus on field-scale studies with possible reference to laboratory-scale endeavors. Much of the research discussed reflects investigations of the influence of coupled processes on the fate and transport of inorganic, radionuclide, and organic contaminants in subsurface environments as a result of natural processes or energy and weapons production endeavors that required waste disposal. The chapter provides on overview of the interaction between hydro-bio-geochemical processes in structured, heterogeneous subsurface environments and how these interactions control contaminant fate and transport, followed by experimental and numerical subsurface science research and case studies involving specific classes of inorganic and organic contaminants. Lastly, thought provoking insights are highlighted on why the study of subsurface coupled processes is paramount to understanding potential future contaminant fate and transport issues of global concern.

  8. Coupled processes of fluid flow, solute transport, and geochemical reactions in reactive barriers

    SciTech Connect

    Kim, Jeongkon; Schwartz, Franklin W.; Xu, Tianfu; Choi, Heechul, and Kim, In S.

    2004-01-02

    A complex pattern of coupling between fluid flow and mass transport develops when heterogeneous reactions occur. For instance, dissolution and precipitation reactions can change a porous medium's physical properties, such as pore geometry and thus permeability. These changes influence fluid flow, which in turn impacts the composition of dissolved constituents and the solid phases, and the rate and direction of advective transport. Two-dimensional modeling studies using TOUGHREACT were conducted to investigate the coupling between flow and transport developed as a consequence of differences in density, dissolution precipitation, and medium heterogeneity. The model includes equilibrium reactions for aqueous species, kinetic reactions between the solid phases and aqueous constituents, and full coupling of porosity and permeability changes resulting from precipitation and dissolution reactions in porous media. In addition, a new permeability relationship is implemented in TOUGHREACT to examine the effects of geochemical reactions and density difference on plume migration in porous media. Generally, the evolutions in the concentrations of the aqueous phase are intimately related to the reaction-front dynamics. Plugging of the medium contributed to significant transients in patterns of flow and mass transport.

  9. Coupled transport processes in semipermeable media. Part 2: Numerical method and results

    NASA Astrophysics Data System (ADS)

    Jacobsen, Janet S.; Carnahan, Chalon L.

    1990-04-01

    A numerical simulator has been developed to investigate the effects of coupled processes on heat and mass transport in semipermeable media. The governing equations on which the simulator is based were derived using the thermodynamics of irreversible processes. The equations are nonlinear and have been solved numerically using the n-dimensional Newton's method. As an example of an application, the numerical simulator has been used to investigate heat and solute transport in the vicinity of a heat source buried in a saturated clay-like medium, in part to study solute transport in bentonite packing material surrounding a nuclear waste canister. The coupled processes considered were thermal filtration, thermal osmosis, chemical osmosis and ultrafiltration. In the simulations, heat transport by coupled processes was negligible compared to heat conduction, but pressure and solute migration were affected. Solute migration was retarded relative to the uncoupled case when only chemical osmosis was considered. When both chemical osmosis and thermal osmosis were included, solute migration was enhanced.

  10. Multi-physical model of cation and water transport in ionic polymer-metal composite sensors

    NASA Astrophysics Data System (ADS)

    Zhu, Zicai; Chang, Longfei; Horiuchi, Tetsuya; Takagi, Kentaro; Aabloo, Alvo; Asaka, Kinji

    2016-03-01

    Ion-migration based electrical potential widely exists not only in natural systems but also in ionic polymer materials. We presented a multi-physical model and investigated the transport process of cation and water of ionic polymer-metal composites based on our thorough understanding on the ionic sensing mechanisms in this paper. The whole transport process was depicted by transport equations concerning convection flux under the total pressure gradient, electrical migration by the built-in electrical field, and the inter-coupling effect between cation and water. With numerical analysis, the influence of critical material parameters, the elastic modulus Ewet, the hydraulic permeability coefficient K, the diffusion coefficient of cation dII and water dWW, and the drag coefficient of water ndW, on the distribution of cation and water was investigated. It was obtained how these parameters correlate to the voltage characteristics (both magnitude and response speed) under a step bending. Additionally, it was found that the effective relative dielectric constant ɛr has little influence on the voltage but is positively correlated to the current. With a series of optimized parameters, the predicted voltage agreed with the experimental results well, which validated our model. Based on our physical model, it was suggested that an ionic polymer sensor can benefit from a higher modulus Ewet, a higher coefficient K and a lower coefficient dII, and a higher constant ɛr.

  11. Coupling mechanical forces to electrical signaling: molecular motors and the intracellular transport of ion channels.

    PubMed

    Barry, Joshua; Gu, Chen

    2013-04-01

    Proper localization of various ion channels is fundamental to neuronal functions, including postsynaptic potential plasticity, dendritic integration, action potential initiation and propagation, and neurotransmitter release. Microtubule-based forward transport mediated by kinesin motors plays a key role in placing ion channel proteins to correct subcellular compartments. PDZ- and coiled-coil-domain proteins function as adaptor proteins linking ionotropic glutamate and GABA receptors to various kinesin motors, respectively. Recent studies show that several voltage-gated ion channel/transporter proteins directly bind to kinesins during forward transport. Three major regulatory mechanisms underlying intracellular transport of ion channels are also revealed. These studies contribute to understanding how mechanical forces are coupled to electrical signaling and illuminating pathogenic mechanisms in neurodegenerative diseases. PMID:22910031

  12. Plasmodium falciparum chloroquine resistance transporter is a H+-coupled polyspecific nutrient and drug exporter

    PubMed Central

    Juge, Narinobu; Moriyama, Sawako; Miyaji, Takaaki; Kawakami, Mamiyo; Iwai, Haruka; Fukui, Tomoya; Nelson, Nathan; Omote, Hiroshi; Moriyama, Yoshinori

    2015-01-01

    Extrusion of chloroquine (CQ) from digestive vacuoles through the Plasmodium falciparum CQ resistance transporter (PfCRT) is essential to establish CQ resistance of the malaria parasite. However, the physiological relevance of PfCRT and how CQ-resistant PfCRT gains the ability to transport CQ remain unknown. We prepared proteoliposomes containing purified CQ-sensitive and CQ-resistant PfCRTs and measured their transport activities. All PfCRTs tested actively took up tetraethylammonium, verapamil, CQ, basic amino acids, polypeptides, and polyamines at the expense of an electrochemical proton gradient. CQ-resistant PfCRT exhibited decreased affinity for CQ, resulting in increased CQ uptake. Furthermore, CQ competitively inhibited amino acid transport. Thus, PfCRT is a H+-coupled polyspecific nutrient and drug exporter. PMID:25733858

  13. Plasmodium falciparum chloroquine resistance transporter is a H+-coupled polyspecific nutrient and drug exporter.

    PubMed

    Juge, Narinobu; Moriyama, Sawako; Miyaji, Takaaki; Kawakami, Mamiyo; Iwai, Haruka; Fukui, Tomoya; Nelson, Nathan; Omote, Hiroshi; Moriyama, Yoshinori

    2015-03-17

    Extrusion of chloroquine (CQ) from digestive vacuoles through the Plasmodium falciparum CQ resistance transporter (PfCRT) is essential to establish CQ resistance of the malaria parasite. However, the physiological relevance of PfCRT and how CQ-resistant PfCRT gains the ability to transport CQ remain unknown. We prepared proteoliposomes containing purified CQ-sensitive and CQ-resistant PfCRTs and measured their transport activities. All PfCRTs tested actively took up tetraethylammonium, verapamil, CQ, basic amino acids, polypeptides, and polyamines at the expense of an electrochemical proton gradient. CQ-resistant PfCRT exhibited decreased affinity for CQ, resulting in increased CQ uptake. Furthermore, CQ competitively inhibited amino acid transport. Thus, PfCRT is a H(+)-coupled polyspecific nutrient and drug exporter. PMID:25733858

  14. Coupling Mechanical Forces to Electrical Signaling: Molecular Motors and the Intracellular Transport of Ion Channels

    PubMed Central

    Barry, Joshua; Gu, Chen

    2013-01-01

    Proper localization of various ion channels is fundamental to neuronal functions, including postsynaptic potential plasticity, dendritic integration, action potential initiation and propagation, and neurotransmitter release. Microtubule-based forward transport mediated by kinesin motors plays a key role in placing ion channel proteins to correct subcellular compartments. PDZ- and coiled-coil-domain proteins function as adaptor proteins linking ionotropic glutamate and GABA receptors to various kinesin motors, respectively. Recent studies show that several voltage-gated ion channel/transporter proteins directly bind to kinesins during forward transport. Three major regulatory mechanisms underlying intracellular transport of ion channels are also revealed. These studies contribute to understanding how mechanical forces are coupled to electrical signaling and illuminating pathogenic mechanisms in neurodegenerative diseases. PMID:22910031

  15. A COMSOL-GEMS interface for modeling coupled reactive-transport geochemical processes

    NASA Astrophysics Data System (ADS)

    Azad, Vahid Jafari; Li, Chang; Verba, Circe; Ideker, Jason H.; Isgor, O. Burkan

    2016-07-01

    An interface was developed between COMSOL MultiphysicsTM finite element analysis software and (geo)chemical modeling platform, GEMS, for the reactive-transport modeling of (geo)chemical processes in variably saturated porous media. The two standalone software packages are managed from the interface that uses a non-iterative operator splitting technique to couple the transport (COMSOL) and reaction (GEMS) processes. The interface allows modeling media with complex chemistry (e.g. cement) using GEMS thermodynamic database formats. Benchmark comparisons show that the developed interface can be used to predict a variety of reactive-transport processes accurately. The full functionality of the interface was demonstrated to model transport processes, governed by extended Nernst-Plank equation, in Class H Portland cement samples in high pressure and temperature autoclaves simulating systems that are used to store captured carbon dioxide (CO2) in geological reservoirs.

  16. Experimental and modeling analysis of coupled non-Fickian transport and sorption in natural soils

    NASA Astrophysics Data System (ADS)

    Rubin, S.; Berkowitz, B.

    2011-12-01

    We present experimental breakthrough curve (BTC) data and a modeling investigation of conservative and sorbing tracer transport in natural soils. By analyzing the data using the continuous time random walk (CTRW) model, we probe the traditional approach of using conservative tracer model parameters as a basis for quantifying the transport of sorbing solutes in the same domain. Many known contaminants in groundwater are sorbed to the host solid porous medium, to varying extents, while being transported; this enhances the long tailing of BTCs which already arise because of the inherent non-Fickian nature of the transport. The CTRW framework has been shown to account very well for non-Fickian conservative (nonsorbing) transport. Here, we examine two BTC data sets in laboratory columns packed with natural soils; the first (previously published) comprises transport of (conservative) bromide and (sorbing) atrazine tracers, while the second comprises new data with bromide and tribromoneopentyl alcohol (TBNPA), a common flame retardant, as a sorbing solute. We find that the transport behavior of bromide is non-Fickian in all cases, which is caused by the heterogeneity of the soil. Analysis of the relation between the non-Fickian transport of the conservative and sorbing tracers demonstrates the coupling between transport and adsorption/desorption, and the result that transport parameters (average velocity and dispersion coefficient) calibrated for the conservative tracer parameters are not applicable to the transport of reactive tracers. Our analyses further confirm the relevance and applicability of CTRW theory to the case of laboratory-scale observations of sorbing solutes.

  17. Experimental and modeling analysis of coupled non-Fickian transport and sorption in natural soils

    NASA Astrophysics Data System (ADS)

    Rubin, Shira; Dror, Ishai; Berkowitz, Brian

    2012-05-01

    We present experimental breakthrough curve (BTC) data and a modeling investigation of conservative and sorbing tracer transport in natural soils. By analyzing the data using the continuous time random walk (CTRW) model, we probe the traditional approach of using conservative tracer model parameters as a basis for quantifying the transport of sorbing solutes in the same domain when non-Fickian transport is present. Many known contaminants in groundwater are sorbed to the host solid porous medium, to varying extents, while being transported; this enhances the long tailing of BTCs which often already occurs because of the inherent non-Fickian nature of the transport. The CTRW framework has been shown to account very well for non-Fickian conservative (nonsorbing) transport. Here, we examine two BTC data sets in laboratory columns packed with natural soils; the first (previously analyzed by Mao and Ren (2004)) comprises transport of (conservative) bromide and (sorbing) atrazine tracers, while the second presents new data with bromide and tribromoneopentyl alcohol (TBNPA), a key flame retardant, as a sorbing solute. TBNPA has received little attention in the past, and is shown to be sorbed onto Bet Dagan soil in a nonlinear manner. We find that the transport behavior of bromide is non-Fickian in all cases, which is caused by the heterogeneity of the soil. Comparative model analysis of the non-Fickian BTCs of the conservative, and sorbing tracers and examination of the fitting parameters, exemplify the coupling between transport and adsorption/desorption processes. The difference in transport parameters used to match the conservative and sorbing data sets shows that conservative tracer parameters (average velocity and dispersion coefficient) are not valid for the transport of reactive tracers.

  18. Experimental and modeling analysis of coupled non-Fickian transport and sorption in natural soils.

    PubMed

    Rubin, Shira; Dror, Ishai; Berkowitz, Brian

    2012-05-01

    We present experimental breakthrough curve (BTC) data and a modeling investigation of conservative and sorbing tracer transport in natural soils. By analyzing the data using the continuous time random walk (CTRW) model, we probe the traditional approach of using conservative tracer model parameters as a basis for quantifying the transport of sorbing solutes in the same domain when non-Fickian transport is present. Many known contaminants in groundwater are sorbed to the host solid porous medium, to varying extents, while being transported; this enhances the long tailing of BTCs which often already occurs because of the inherent non-Fickian nature of the transport. The CTRW framework has been shown to account very well for non-Fickian conservative (nonsorbing) transport. Here, we examine two BTC data sets in laboratory columns packed with natural soils; the first (previously analyzed by Mao and Ren (2004)) comprises transport of (conservative) bromide and (sorbing) atrazine tracers, while the second presents new data with bromide and tribromoneopentyl alcohol (TBNPA), a key flame retardant, as a sorbing solute. TBNPA has received little attention in the past, and is shown to be sorbed onto Bet Dagan soil in a nonlinear manner. We find that the transport behavior of bromide is non-Fickian in all cases, which is caused by the heterogeneity of the soil. Comparative model analysis of the non-Fickian BTCs of the conservative, and sorbing tracers and examination of the fitting parameters, exemplify the coupling between transport and adsorption/desorption processes. The difference in transport parameters used to match the conservative and sorbing data sets shows that conservative tracer parameters (average velocity and dispersion coefficient) are not valid for the transport of reactive tracers. PMID:22445833

  19. Water transport in limestone by X-ray CAT scanning

    USGS Publications Warehouse

    Mossoti, Victor G.; Castanier, Louis M.

    1989-01-01

    The transport of water through the interior of Salem limestone test briquettes can be dynamically monitored by computer aided tomography (commonly called CAT scanning in medical diagnostics). Most significantly, unless evaporation from a particular face of the briquette is accelerated by forced air flow (wind simulation), the distribution of water in the interior of the briquette remains more or less uniform throughout the complete drying cycle. Moreover, simulated solar illumination of the test briquette does not result in the production of significant water gradients in the briquette under steady-state drying conditions.

  20. On-line coupling of volcanic ash and aerosols transport with multiscale meteorological models

    NASA Astrophysics Data System (ADS)

    Marti, Alejandro; Folch, Arnau; Jorba, Oriol

    2014-05-01

    Large explosive volcanic eruptions can inject significant amounts of tephra and aerosols (e.g. SO2) into the atmosphere inducing a multi-scale array of physical, chemical and biological feedbacks within the environment. Effective coupled Numerical Weather Prediction (NWP) models capable to forecast on-line the spatial and temporal distribution of volcanic ash and aerosols are necessary to assess the magnitude of these feedback effects. However, due to several limitations (users from different communities, operational constrains, computational power, etc.), tephra transport models and NWP models have evolved independently. Within the framework of NEMOH(an Initial Training Network of the European Commission FP7 Program), we aim to quantify the feedback effects of volcanic ash clouds and aerosols emitted during large-magnitude eruptions on regional meteorology. As a first step, we have focused on the differences between the off-line hypothesis, currently assumed by tephra transport models (e.g. FALL3D), and the on-line approach, where transport and sedimentation of volcanic ash is coupled on-line to the NMMB (Non-hydrostatic Multiscale Meteorological model on a B grid) meteorological model; the evolution of the WRF-NMME meteorological model. We compared the spatiotemporal transport of volcanic ash particles simulated with the on-line coupled FALL3D-NMMB/BSC-CTM model with those from the off-line FALL3D model, by using the 2011 Cordón-Caulle eruption as a test-case and validating results against satellite data. Additionally, this presentation introduces the forthcoming steps to implement a sulfate aerosol module within the chemical transport module of the FALL3D-NMMB/BSC-CTM model, in order to quantify the feedback effects on the atmospheric radiative budget, particularly during large-magnitude explosive volcanic eruptions. Keywords: volcanic ash, SO2, FALL3D, NMMB, meteorology, on-line coupling, NEMOH.

  1. Free energy calculation of water addition coupled to reduction of aqueous RuO4-

    NASA Astrophysics Data System (ADS)

    Tateyama, Yoshitaka; Blumberger, Jochen; Ohno, Takahisa; Sprik, Michiel

    2007-05-01

    Free energy calculations were carried out for water addition coupled reduction of aqueous ruthenate, RuO4-+H2O +e-→[RuO3(OH)2]2-, using Car-Parrinello molecular dynamics simulations. The full reaction is divided into the reduction of the tetrahedral monoanion, RuO4-+e-→RuO42-, followed by water addition, RuO42-+H2O →[RuO3(OH)2]2-. The free energy of reduction is computed from the fluctuations of the vertical energy gap using the MnO4-+e -→MnO42- reaction as reference. The free energy for water addition is estimated using constrained molecular dynamics methods. While the description of this complex reaction, in principle, involves multiple reaction coordinates, we found that reversible transformation of the reactant into the product can be achieved by control of a single reaction coordinate consisting of a suitable linear combination of atomic distances. The free energy difference of the full reaction is computed to be -0.62eV relative to the normal hydrogen electrode. This is in good agreement with the experimental value of -0.59eV, lending further support to the hypothesis that, contrary to the ruthenate monoanion, the dianion is not tetrahedral but forms a trigonal-bipyramidal dihydroxo complex in aqueous solution. We construct an approximate two-dimensional free energy surface using the coupling parameter for reduction and the mechanical constraint for water addition as variables. Analyzing this surface we find that in the most favorable reaction pathway the reduction reaction precedes water addition. The latter takes place via the protonated complex [RuO3(OH)]- and subsequent transport of the created hydroxide ion to the fifth coordination site of Ru.

  2. Interfacial Water-Transport Effects in Proton-Exchange Membranes

    SciTech Connect

    Kienitz, Brian; Yamada, Haruhiko; Nonoyama, Nobuaki; Weber, Adam

    2009-11-19

    It is well known that the proton-exchange membrane is perhaps the most critical component of a polymer-electrolyte fuel cell. Typical membranes, such as Nafion(R), require hydration to conduct efficiently and are instrumental in cell water management. Recently, evidence has been shown that these membranes might have different interfacial morphology and transport properties than in the bulk. In this paper, experimental data combined with theoretical simulations will be presented that explore the existence and impact of interfacial resistance on water transport for Nafion(R) 21x membranes. A mass-transfer coefficient for the interfacial resistance is calculated from experimental data using different permeation cells. This coefficient is shown to depend exponentially on relative humidity or water activity. The interfacial resistance does not seem to exist for liquid/membrane or membrane/membrane interfaces. The effect of the interfacial resistance is to flatten the water-content profiles within the membrane during operation. Under typical operating conditions, the resistance is on par with the water-transport resistance of the bulk membrane. Thus, the interfacial resistance can be dominant especially in thin, dry membranes and can affect overall fuel-cell performance.

  3. Pore Water PAH Transport in Amended Sediment Caps

    NASA Astrophysics Data System (ADS)

    Gidley, P. T.; Kwon, S.; Ghosh, U.

    2009-05-01

    Capping is a common remediation strategy for contaminated sediments that creates a physical barrier between contaminated sediments and the water column. Diffusive flux of contaminants through a sediment cap is small. However, under certain hydrodynamic conditions such as groundwater potential and tidal pumping, groundwater advection can accelerate contaminant transport. Hydrophobic organic contaminants such as polycyclic aromatic hydrocarbons (PAHs) could be transported through the cap under advective conditions. To better understand PAH migration under these conditions, physical models of sediment caps were evaluated in the laboratory through direct measurement of pore water using solid phase micro-extraction with gas chromatography and mass spectrometry. Contaminated sediment and capping material was obtained from an existing Superfund site that was capped at Eagle Harbor, Washington. A PAH dissolution model linked to an advection-dispersion equation with retardation using published organic carbon-water partitioning coefficients (Koc) was compared to measured PAHs in the sediment and cap porewater of the physical model.

  4. Coupling hydro-chemical models and water quality datasets: signatures of mixing patterns and non-stationary travel time distributions

    NASA Astrophysics Data System (ADS)

    Benettin, P.; Botter, G.; Rinaldo, A.

    2013-12-01

    Water quality data in rivers represent an integrated measure of catchment transport processes, and their importance can hardly be overestimated. Recently, coupled hydrologic and geochemical models have provided new insight on catchment function and the dominant transport processes. The signals of hidden processes are thus being increasingly understood like e.g. those related to the presence of residual storages that are poorly visible in the hydrological response but strongly affect water quality dynamics. The increased availability of hydrochemical data, jointly with the related improved measurement accuracy, requires parallel improvements in the theoretical tools used to interpret such data. The newly available datasets, for instance, challenge simplistic modeling of long-term transport features, putting the focus on transient dynamics and fluctuations taking place at multiple time-scales, from single storm events to inter-annual timescales. The general formulation of transport by travel time distributions, being intrinsically robust owing to its integrated nature, is suitable to the above scopes in that it may account for spatial and temporal heterogeneity, say of chemical sources, flow fields and hydrologic forcings. Large-scale specification mixing processes is unavoidable, however, jointly with behavioral shifts occurring during floods and droughts. Here, we provide an assessment of recent theoretical results that involve the use of environmental tracers to identify emergent mixing patterns at catchment scale, and the related impacts on travel time distributions. Emphasis is placed on the improved process understanding achieved by coupling hydro-chemical models with highly resolved water quality datasets.

  5. Nonequilibrium steady state transport of collective-qubit system in strong coupling regime

    NASA Astrophysics Data System (ADS)

    Wang, Chen; Sun, Ke-Wei

    2015-11-01

    We investigate the steady state photon transport in a nonequilibrium collective-qubit model. By adopting the noninteracting blip approximation, which is applicable in the strong photon-qubit coupling regime, we describe the essential contribution of indirect qubit-qubit interaction to the population distribution, mediated by the photonic baths. The linear relations of both the optimal flux and noise power with the qubits system size are obtained. Moreover, the inversed power-law style for the finite-size scaling of the optimal photon-qubit coupling strength is exhibited, which is proposed to be universal.

  6. Coupled Hydrogeophysical Inversion for Characterizing Heterogeneous Permeability Field at a Groundwater-River Water Interaction Zone

    NASA Astrophysics Data System (ADS)

    Chen, X.; Johnson, T. C.; Hammond, G. E.; Zachara, J. M.

    2014-12-01

    The hydrological and biogeochemical processes at the groundwater and river water interface are largely controlled by the exchange dynamics between the two water bodies. Accurate characterization of the heterogeneous permeability field at such interface is critical for modeling the bulk flow as well as the biogeochemical processes that are coupled with the flow. Taking advantage of the distinct conductivities in groundwater and rive water, time lapse electrical resistivity tomography (ERT) can provide rich spatial and temporal data for characterizing the permeability field, by imaging the change in subsurface electric conductivity driven by river water intrusion and retreat. We installed a large-scale (300 m by 300 m) 3-dimensional ERT array to monitor river water intrusion and retreat through time at a major river corridor, and the 4-dimensional electrical geophysical data is assimilated to invert for the underlying permeability field using ensemble-based algorithms (e.g., ensemble Kalman filter and ensemble smoother). We developed a new high-performance hydrogeophysical code by coupling an ERT imaging code E4D (Johnson et al., 2010) with a site-scale flow and transport code, PFLOTRAN (Hammond et al., 2012). The coupled code provides the key modeling capability of multi-physics processes, parallel efficiency, and multi-realization simulation capability for hydrogeophysical inversion. We assimilated both well-based point measurements of water table and specific conductance and spatially continuous ERT images in a sequential Bayesian way. Our study demonstrates the effectiveness of joint hydrogeophysical inversion for large-scale characterization of subsurface properties in the groundwater and river water interaction zone. Our investigation of spatial versus temporal data assimilation strategies have inspired systematic data worth analyses to identify the most valuable data sets for hydrogeophysical inversion. The high performance computing is performed on the Hopper

  7. From The Cover: Osmotic water transport through carbon nanotube membranes

    NASA Astrophysics Data System (ADS)

    Kalra, Amrit; Garde, Shekhar; Hummer, Gerhard

    2003-09-01

    We use molecular dynamics simulations to study osmotically driven transport of water molecules through hexagonally packed carbon nanotube membranes. Our simulation setup comprises two such semipermeable membranes separating compartments of pure water and salt solution. The osmotic force drives water flow from the pure-water to the salt-solution compartment. Monitoring the flow at molecular resolution reveals several distinct features of nanoscale flows. In particular, thermal fluctuations become significant at the nanoscopic length scales, and as a result, the flow is stochastic in nature. Further, the flow appears frictionless and is limited primarily by the barriers at the entry and exit of the nanotube pore. The observed flow rates are high (5.8 water molecules per nanosecond and nanotube), comparable to those through the transmembrane protein aquaporin-1, and are practically independent of the length of the nanotube, in contrast to predictions of macroscopic hydrodynamics. All of these distinct characteristics of nanoscopic water flow can be modeled quantitatively by a 1D continuous-time random walk. At long times, the pure-water compartment is drained, and the net flow of water is interrupted by the formation of structured solvation layers of water sandwiched between two nanotube membranes. Structural and thermodynamic aspects of confined water monolayers are studied.

  8. Pedestal Fueling Simulations with a Coupled Kinetic-kinetic Plasma-neutral Transport Code

    SciTech Connect

    D.P. Stotler, C.S. Chang, S.H. Ku, J. Lang and G.Y. Park

    2012-08-29

    A Monte Carlo neutral transport routine, based on DEGAS2, has been coupled to the guiding center ion-electron-neutral neoclassical PIC code XGC0 to provide a realistic treatment of neutral atoms and molecules in the tokamak edge plasma. The DEGAS2 routine allows detailed atomic physics and plasma-material interaction processes to be incorporated into these simulations. The spatial pro le of the neutral particle source used in the DEGAS2 routine is determined from the uxes of XGC0 ions to the material surfaces. The kinetic-kinetic plasma-neutral transport capability is demonstrated with example pedestal fueling simulations.

  9. Energy Conservation Tests of a Coupled Kinetic-kinetic Plasma-neutral Transport Code

    SciTech Connect

    Stotler, D. P.; Chang, C. S.; Ku, S. H.; Lang, J.; Park, G.

    2012-08-29

    A Monte Carlo neutral transport routine, based on DEGAS2, has been coupled to the guiding center ion-electron-neutral neoclassical PIC code XGC0 to provide a realistic treatment of neutral atoms and molecules in the tokamak edge plasma. The DEGAS2 routine allows detailed atomic physics and plasma-material interaction processes to be incorporated into these simulations. The spatial pro le of the neutral particle source used in the DEGAS2 routine is determined from the uxes of XGC0 ions to the material surfaces. The kinetic-kinetic plasma-neutral transport capability is demonstrated with example pedestal fueling simulations.

  10. Quantized Water Transport: Ideal Desalination through Graphyne-4 Membrane

    PubMed Central

    Zhu, Chongqin; Li, Hui; Zeng, Xiao Cheng; Wang, E. G.; Meng, Sheng

    2013-01-01

    Graphyne sheet exhibits promising potential for nanoscale desalination to achieve both high water permeability and salt rejection rate. Extensive molecular dynamics simulations on pore-size effects suggest that γ-graphyne-4, with 4 acetylene bonds between two adjacent phenyl rings, has the best performance with 100% salt rejection and an unprecedented water permeability, to our knowledge, of ~13 L/cm2/day/MPa, 3 orders of magnitude higher than prevailing commercial membranes based on reverse osmosis, and ~10 times higher than the state-of-the-art nanoporous graphene. Strikingly, water permeability across graphyne exhibits unexpected nonlinear dependence on the pore size. This counter-intuitive behavior is attributed to the quantized nature of water flow at the nanoscale, which has wide implications in controlling nanoscale water transport and designing highly effective membranes. PMID:24196437

  11. Quantized water transport: ideal desalination through graphyne-4 membrane.

    PubMed

    Zhu, Chongqin; Li, Hui; Zeng, Xiao Cheng; Wang, E G; Meng, Sheng

    2013-01-01

    Graphyne sheet exhibits promising potential for nanoscale desalination to achieve both high water permeability and salt rejection rate. Extensive molecular dynamics simulations on pore-size effects suggest that γ-graphyne-4, with 4 acetylene bonds between two adjacent phenyl rings, has the best performance with 100% salt rejection and an unprecedented water permeability, to our knowledge, of ~13 L/cm(2)/day/MPa, 3 orders of magnitude higher than prevailing commercial membranes based on reverse osmosis, and ~10 times higher than the state-of-the-art nanoporous graphene. Strikingly, water permeability across graphyne exhibits unexpected nonlinear dependence on the pore size. This counter-intuitive behavior is attributed to the quantized nature of water flow at the nanoscale, which has wide implications in controlling nanoscale water transport and designing highly effective membranes. PMID:24196437

  12. Ground-water solute transport with hydrogeochemical reactions

    SciTech Connect

    Garcia-Delgado, R.A.; Koussis, A.D.

    1997-03-01

    Chemical contamination of ground water is typically associated with multicomponent solutions of reactive substances, the mobility of which is affected by their reactivity. In predicting geochemical transport, it is therefore important that the liquid and solid phase reactions be modeled, along with the flow-controlled processes. This demanding task is typically carried out on powerful computers. Frequently, however, field data are available for a limited number of species, or, a small number of species suffices to characterize ground-water quality. In such cases it is desirable to be able to model the transport on a widely available class of inexpensive computers. The authors report on the development of a 2-D model for the transport of reactive species that runs efficiently on PCs. The model follows a modified one-step procedure that adopts total (aqueous and adsorbed) concentrations and aqueous concentrations of components, and accounts for aqueous complexation and for competitive sorption via isotherms or selectivity coefficients. The use of principal directions of transport coordinates, dimensional splitting, and a specialized algorithm for handling advection-dominated transport render it compact and efficient. Mass conservation is satisfied with high accuracy.

  13. A turbulent transport network model in MULTIFLUX coupled with TOUGH2

    SciTech Connect

    Danko, G.; Bahrami, D.; Birkholzer, J.T.

    2011-02-15

    A new numerical method is described for the fully iterated, conjugate solution of two discrete submodels, involving (a) a transport network model for heat, moisture, and airflows in a high-permeability, air-filled cavity; and (b) a variably saturated fractured porous medium. The transport network submodel is an integrated-parameter, computational fluid dynamics solver, describing the thermal-hydrologic transport processes in the flow channel system of the cavity with laminar or turbulent flow and convective heat and mass transport, using MULTIFLUX. The porous medium submodel, using TOUGH2, is a solver for the heat and mass transport in the fractured rock mass. The new model solution extends the application fields of TOUGH2 by integrating it with turbulent flow and transport in a discrete flow network system. We present demonstrational results for a nuclear waste repository application at Yucca Mountain with the most realistic model assumptions and input parameters including the geometrical layout of the nuclear spent fuel and waste with variable heat load for the individual containers. The MULTIFLUX and TOUGH2 model elements are fully iterated, applying a programmed reprocessing of the Numerical Transport Code Functionalization model-element in an automated Outside Balance Iteration loop. The natural, convective airflow field and the heat and mass transport in a representative emplacement drift during postclosure are explicitly solved in the new model. The results demonstrate that the direction and magnitude of the air circulation patterns and all transport modes are strongly affected by the heat and moisture transport processes in the surrounding rock, justifying the need for a coupled, fully iterated model solution such as the one presented in the paper.

  14. A Modular Approach to Coupling Surface Water and Ground Water Models

    NASA Astrophysics Data System (ADS)

    Markstrom, S. L.; Boyle, D. P.; Pohll, G. M.; Viger, R. J.; Fluegel, W.; Leavesley, G. H.; McConnell, J. R.

    2002-12-01

    Due to the increasing complexity of environmental and water-resource problems, modeling techniques are required that simulate, on a basin scale, both the surface and subsurface hydrology. In previous studies, precipitation-runoff models have been used to generate groundwater-recharge information for subsurface models; however, incompatibilities in the spatial and temporal resolutions have been a significant impediment to a robust coupling of these models. Surface water models and groundwater models need to be integrated to provide the feedback between the models to allow a water balance to be achieved. The U.S. Geological Survey's (USGS) Modular Modeling System (MMS) provides a common framework where the most appropriate algorithms can be combined in ways that address a specific user's needs and constraints. In this study, several hybrid MMS model applications with varying levels of representation (spatial and vertical) of subsurface hydrologic processes are constructed using algorithms from the Precipitation-Runoff Modeling System (PRMS) surface-water model and the MODFLOW groundwater model. The coupled models are applied and tested on watersheds in the USGS and U.S. Bureau of Reclamation's Watershed and River System Management Program (WaRSMP). Multi-criteria performance comparisons are used to evaluate the benefits of the different levels of subsurface process representation.

  15. Differentiation of transport for particulate and dissolved water chemistry load indices in rainfall runoff from urban source area watersheds

    NASA Astrophysics Data System (ADS)

    Sheng, Y.; Ying, G.; Sansalone, J.

    2008-10-01

    SummaryControl of coupled hydrology and pollutant transport from urban areas generally specify a runoff (or rainfall) depth for treatment. Incarnations of such coupled transport and control include the "first flush" and recent, albeit similar, "water quality volume" (WQV) concepts. For a century the first flush, a mass limited behavior, has been held as the singular transport phenomena for urban areas. In contrast, this study hypothesizes that load transport can have two classifications; mass or flow limited for pollutant phases (dissolved and particulate). Recognition, quantification, and differentiation of two limiting behaviors and phases, is less common. Differentiation is defined physically (exponential or linear); and examined statistically (logistical regression, discriminant analysis); deriving load transport rules using only calibrated hydrologic parameters. The study is supported by 28 Baton Rouge and 14 Cincinnati events; both urban, paved source areas. Once calibrated with pollutant data, statistical approaches for such rules provide promise for transport differentiation based on more economical hydrologic data. Results demonstrate load transport from source areas can be differentiated into mass or flow limited behavior. Results also indicate that within a given event, pollutant phases exhibit differing transport. With hydrologic and chemical pollutant phase transport data, calibrated event-based differentiation rules can be combined with continuous simulations in tools such as SWMM. Such a combination allows time series differentiation of load transport behavior and unit operation volumetric requirements for urban source areas.

  16. Numerical Modeling of Coupled Water, Vapor and Energy in Soils and at the Soil-Atmosphere Interface

    NASA Astrophysics Data System (ADS)

    Simunek, J.; Bristow, K. L.; Saito, H.

    2015-12-01

    It is broadly accepted that mass and energy fluxes in the subsurface in general, and in arid and semi-arid regions in particular, are closely coupled and cannot be evaluated without considering their mutual interactions. However, only a few numerical models (if any) consider coupled water, vapor and energy transport in both the subsurface and at the soil-atmosphere interface. While the subsurface is commonly implemented in existing models, which often consider both isothermal and thermally induced water and vapor flow, the effects of slope inclination, slope azimuth, variable surface albedo and plant shading on incoming radiation and spatially variable surface mass and energy balance, and consequently soil moisture distribution, is rarely considered. In this presentation we discuss these missing elements and our attempts to implement them into the HYDRUS model. We demonstrate implications of some of their interactions, their impact on the spatial distributions of soil temperature and water content, and their effect on soil evaporation.

  17. Linear coupling of alignment with transport in a polymer electrolyte membrane

    NASA Astrophysics Data System (ADS)

    Li, Jing; Park, Jong Keun; Moore, Robert B.; Madsen, Louis A.

    2011-07-01

    Polymer electrolyte membranes (PEMs) selectively transport ions and polar molecules in a robust yet formable solid support. Tailored PEMs allow for devices such as solid-state batteries,‘artificial muscle’ actuators and reverse-osmosis water purifiers. Understanding how PEM structure and morphology relate to mobile species transport presents a challenge for designing next-generation materials. Material length scales from subnanometre to 1 μm (refs , ) influence bulk properties such as ion conductivity and water transport. Here we employ multi-axis pulsed-field-gradient NMR (ref. ) to measure diffusion anisotropy, and 2H NMR spectroscopy and synchrotron small-angle X-ray scattering to probe orientational order as a function of water content and of membrane stretching. Strikingly, transport anisotropy linearly depends on the degree of alignment, signifying that membrane stretching affects neither the nanometre-scale channel dimensions nor the defect structure,causing only domain reorientation. The observed reorientation of anisotropic domains without perturbation of the inherent nematic-like domain character parallels the behaviour of nematic elastomers, promises tailored membrane conduction and potentially allows understanding of tunable shape-memory effects in PEM materials. This quantitative understanding will drive PEM design efforts towardsoptimal membrane transport, thus enabling more efficient polymeric batteries, fuel cells, mechanical actuators and water purification.

  18. Gas production and transport during bench-scale electrical resistance heating of water and trichloroethene

    NASA Astrophysics Data System (ADS)

    Hegele, P. R.; Mumford, K. G.

    2014-09-01

    The effective remediation of chlorinated solvent source zones using in situ thermal treatment requires successful capture of gas that is produced. Replicate electrical resistance heating experiments were performed in a thin bench-scale apparatus, where water was boiled and pooled dense non-aqueous phase liquid (DNAPL) trichloroethene (TCE) and water were co-boiled in unconsolidated silica sand. Quantitative light transmission visualization was used to assess gas production and transport mechanisms. In the water boiling experiments, nucleation, growth and coalescence of the gas phase into connected channels were observed at critical gas saturations of Sgc = 0.233 ± 0.017, which allowed for continuous gas transport out of the sand. In experiments containing a colder region above a target heated zone, condensation prevented the formation of steam channels and discrete gas clusters that mobilized into colder regions were trapped soon after discontinuous transport began. In the TCE-water experiments, co-boiling at immiscible fluid interfaces resulted in discontinuous gas transport above the DNAPL pool. Redistribution of DNAPL was also observed above the pool and at the edge of the vapor front that propagated upwards through colder regions. These results suggest that the subsurface should be heated to water boiling temperatures to facilitate gas transport from specific locations of DNAPL to extraction points and reduce the potential for DNAPL redistribution. Decreases in electric current were observed at the onset of gas phase production, which suggests that coupled electrical current and temperature measurements may provide a reliable metric to assess gas phase development.

  19. Nanoscale transport of electrons and ions in water

    NASA Astrophysics Data System (ADS)

    Boynton, Paul Christopher

    The following dissertation discusses the theoretical study of water on the nanoscale, often involved with essential biological molecules such as DNA and proteins. First I introduce the study of water on the nanoscale and how experimentalists approach confinement with nanopores and nanogaps. Then I discuss the theoretical method we choose for understanding this important biological medium on the molecular level, namely classical molecular dynamics. This leads into transport mechanisms that utilize water on the nanoscale, in our case electronic and ionic transport. On the scale of mere nanometers or less electronic transport in water enters the tunneling regime, requiring the use of a quantum treatment. In addition, I discuss the importance of water in ionic transport and its known effects on biological phenomena such as ion selectivity. Water also has great influence over DNA and proteins, which are both introduced in the context of nanopore sequencing. Several techniques for nanopore sequencing are examined and the importance of protein sequencing is explained. In Chapter 2, we study the effect of volumetric constraints on the structure and electronic transport properties of distilled water in a nanopore with embedded electrodes. Combining classical molecular dynamics simulations with quantum scattering theory, we show that the structural motifs water assumes inside the pore can be probed directly by tunneling. In Chapter 3, we propose an improvement to the original sequencing by tunneling method, in which N pairs of electrodes are built in series along a synthetic nanochannel. Each current time series for each nucleobase is cross-correlated together, reducing noise in the signals. We show using random sampling of data from classical molecular dynamics, that indeed the sequencing error is significantly reduced as the number of pairs of electrodes, N, increases. In Chapter 4, we propose a new technique for de novo protein sequencing that involves translocating a

  20. Coupling lattice Boltzmann and continuum equations for flow and reactive transport in porous media.

    SciTech Connect

    Coon, Ethan; Porter, Mark L.; Kang, Qinjun; Moulton, John D.; Lichtner, Peter C.

    2012-06-18

    In spatially and temporally localized instances, capturing sub-reservoir scale information is necessary. Capturing sub-reservoir scale information everywhere is neither necessary, nor computationally possible. The lattice Boltzmann Method for solving pore-scale systems. At the pore-scale, LBM provides an extremely scalable, efficient way of solving Navier-Stokes equations on complex geometries. Coupling pore-scale and continuum scale systems via domain decomposition. By leveraging the interpolations implied by pore-scale and continuum scale discretizations, overlapping Schwartz domain decomposition is used to ensure continuity of pressure and flux. This approach is demonstrated on a fractured medium, in which Navier-Stokes equations are solved within the fracture while Darcy's equation is solved away from the fracture Coupling reactive transport to pore-scale flow simulators allows hybrid approaches to be extended to solve multi-scale reactive transport.

  1. Asymptotic Analysis of Time-Dependent Neutron Transport Coupled with Isotopic Depletion and Radioactive Decay

    SciTech Connect

    Brantley, P S

    2006-09-27

    We describe an asymptotic analysis of the coupled nonlinear system of equations describing time-dependent three-dimensional monoenergetic neutron transport and isotopic depletion and radioactive decay. The classic asymptotic diffusion scaling of Larsen and Keller [1], along with a consistent small scaling of the terms describing the radioactive decay of isotopes, is applied to this coupled nonlinear system of equations in a medium of specified initial isotopic composition. The analysis demonstrates that to leading order the neutron transport equation limits to the standard time-dependent neutron diffusion equation with macroscopic cross sections whose number densities are determined by the standard system of ordinary differential equations, the so-called Bateman equations, describing the temporal evolution of the nuclide number densities.

  2. Grid resolution study of ground water flow and transport.

    PubMed

    Bower, Kathleen M; Gable, Carl W; Zyvoloski, George A

    2005-01-01

    Three-dimensional grids representing a heterogeneous, ground water system are generated at 10 different resolutions in support of a site-scale flow and transport modeling effort. These grids represent hydrostratigraphy near Yucca Mountain, Nevada, consisting of 18 stratigraphic units with contrasting fluid flow and transport properties. The grid generation method allows the stratigraphy to be modeled by numerical grids of different resolution so that comparison studies can be performed to test for grid quality and determine the resolution required to resolve geologic structure and physical processes such as fluid flow and solute transport. The process of generating numerical grids with appropriate property distributions from geologic conceptual models is automated, thus making the entire process easy to implement with fewer user-induced errors. The series of grids of various resolutions are used to assess the level at which increasing resolution no longer influences the flow and solute transport results. Grid resolution is found to be a critical issue for ground water flow and solute transport. The resolution required in a particular instance is a function of the feature size of the model, the intrinsic properties of materials, the specific physics of the problem, and boundary conditions. The asymptotic nature of results related to flow and transport indicate that for a hydrologic model of the heterogeneous hydrostratigraphy under Yucca Mountain, a horizontal grid spacing of 600 m and vertical grid spacing of 40 m resolve the hydrostratigraphic model with sufficient precision to accurately model the hypothetical flow and solute transport to within 5% of the value that would be obtained with much higher resolution. PMID:15726930

  3. Nonisothermal water transport through hydrophobic membranes in a stirred cell

    SciTech Connect

    Vazquez-Gonzalez, M.I.; Martinez, L.

    1994-10-01

    This paper studies the transport of pure water through microporous hydrophobic membranes in a stirred cell when bathed by two phases at different temperatures. The dependence of the phenomena on the stirring rate and on the average temperature has been investigated. The influence of these operating conditions on the mass transfer rate is discussed while keeping in mind the theories of mass and heat transfer within the membrane and adjoining liquids. The concept of temperature polarization is introduced in the transport equations, and it is shown to be important in the interpretation of our experimental results.

  4. Transport properties of water at functionalized molecular interfaces

    PubMed Central

    Feng, Jun; Wong, Ka-Yiu; Dyer, Kippi; Pettitt, B. Montgomery

    2009-01-01

    Understanding transport properties of solvent such as diffusion and viscosity at interfaces with biomacromolecules and hard materials is of fundamental importance to both biology and biotechnology. Our study utilizes equilibrium molecular dynamics simulations to calculate solvent transport properties at a model peptide and microarray surface. Both diffusion and selected components of viscosity are considered. Solvent diffusion is found to be affected near the peptide and surface. The stress-stress correlation function of solvent near the hard surface exhibits long time memory. Both diffusion and viscosity are shown to be closely correlated with the density distribution function of water along the microarray surface. PMID:19791920

  5. Transport properties of water at functionalized molecular interfaces

    NASA Astrophysics Data System (ADS)

    Feng, Jun; Wong, Ka-Yiu; Dyer, Kippi; Pettitt, B. Montgomery

    2009-09-01

    Understanding transport properties of solvent such as diffusion and viscosity at interfaces with biomacromolecules and hard materials is of fundamental importance to both biology and biotechnology. Our study utilizes equilibrium molecular dynamics simulations to calculate solvent transport properties at a model peptide and microarray surface. Both diffusion and selected components of viscosity are considered. Solvent diffusion is found to be affected near the peptide and surface. The stress-stress correlation function of solvent near the hard surface exhibits long time memory. Both diffusion and viscosity are shown to be closely correlated with the density distribution function of water along the microarray surface.

  6. Production and pipeline transport of oil-water dispersions

    SciTech Connect

    Carniani, E.; Celsi, A.; Ercolani, D.

    1997-07-01

    Oil-water dispersions are becoming increasingly important for their potential application in the economical exploitation of heavy-oil fields and as novel fuels to be utilized for gasification in industrial power plants and in small heating systems. Snamprogetti in co-operation with Agip and Eniricerche is involved in a research project, partially supported by the Holding Company ENI and Europen Union (Thermie project), for the developing of a new integrated process to produce heavy crude oil from the marginal fields located in the Adriatic Sea as oil-water dispersions. The process scheme provides the multiphase pipeline transportation of the oil in reservoir water dispersion (primary dispersion) from the platform to the onshore processing Oil Centre for oil production and for the preparation of a very stable dispersion of oil in fresh water (secondary dispersion) to be utilized for direct burning. To obtain the necessary information for the design of the production, transportation and processing systems Snamprogetti has equipped a pilot plant to perform dispersion preparations and characterizations, single phase and multiphase transportation tests. The present work provides experimental data relevant to pumping tests of primary and secondary dispersions showing a stable flow configuration for the secondary and a tendency to stratification for the primary in certain flow conditions. During multiphase pumping tests of primary dispersions a markedly non-newtonian behavior has been observed when strong segregation phenomena occur. A comparison with results obtained by one-phase and multiphase flow programs is also presented.

  7. Water transport and cell survival in cryobiological procedures.

    PubMed

    Farrant, J

    1977-03-29

    Living cells may be cooled to 77 K (liquid nitrogen) either to destroy them selectively or to store them for long periods. Water transport across the cell membranes during freezing and thawing is a primary factor determining whether the cells survive. These water movements are controlled by phase changes both intracellular and extracellular and by other factors such as the nature of any cryoprotective agent present, and the rates of cooling and thawing. The relation between cooling procedure, water transport and cell survival is discussed. In particular, the crucial rôle of dilution shock is emphasized: this is the damage to cells induced during the dilution that occurs both as ice melts during rewarming and when any cryoprotective additives are removed after thawing. Apart from the usefulness of understanding these processes for maximizing preservation or controlling selective destruction, the diverse responses of cells to different combinations of water transport and temperature changes appear likely to provide basic information on the properties of cell membranes. PMID:17873

  8. Investigation of hurricane Ivan using the coupled ocean-atmosphere-wave-sediment transport (COAWST) model

    USGS Publications Warehouse

    Zambon, Joseph B.; He, Ruoying; Warner, John C.

    2014-01-01

    The coupled ocean–atmosphere–wave–sediment transport (COAWST) model is used to hindcast Hurricane Ivan (2004), an extremely intense tropical cyclone (TC) translating through the Gulf of Mexico. Sensitivity experiments with increasing complexity in ocean–atmosphere–wave coupled exchange processes are performed to assess the impacts of coupling on the predictions of the atmosphere, ocean, and wave environments during the occurrence of a TC. Modest improvement in track but significant improvement in intensity are found when using the fully atmosphere–ocean-wave coupled configuration versus uncoupled (e.g., standalone atmosphere, ocean, or wave) model simulations. Surface wave fields generated in the fully coupled configuration also demonstrates good agreement with in situ buoy measurements. Coupled and uncoupled model-simulated sea surface temperature (SST) fields are compared with both in situ and remote observations. Detailed heat budget analysis reveals that the mixed layer temperature cooling in the deep ocean (on the shelf) is caused primarily by advection (equally by advection and diffusion).

  9. Benchmark solutions for the galactic heavy-ion transport equations with energy and spatial coupling

    NASA Technical Reports Server (NTRS)

    Ganapol, Barry D.; Townsend, Lawrence W.; Lamkin, Stanley L.; Wilson, John W.

    1991-01-01

    Nontrivial benchmark solutions are developed for the galactic heavy ion transport equations in the straightahead approximation with energy and spatial coupling. Analytical representations of the ion fluxes are obtained for a variety of sources with the assumption that the nuclear interaction parameters are energy independent. The method utilizes an analytical LaPlace transform inversion to yield a closed form representation that is computationally efficient. The flux profiles are then used to predict ion dose profiles, which are important for shield design studies.

  10. Experimental and Theoretical Investigations of Reaction-Coupled Flow and Transport in Porous Media

    NASA Astrophysics Data System (ADS)

    Kim, J.; Schwartz, F. W.

    2004-12-01

    In some systems, it is possible to observe complex patterns of coupling between fluid and flow and mass transport when reactions involving a solid phase are operative. For example, dissolution and precipitation reactions can change a porous medium's physical properties such as porosity and permeability. These changes influence fluid flow, which affect the concentration of dissolved solids, the composition of solid phases, and the rate and direction of advective transport. Both experimental and modeling studies were conducted to investigate the coupling between flow and transport due to effects of fluid density, dissolution/precipitation reactions, and heterogeneity in medium properties. The complex chemical system is created by pumping a dilute Fe(ClO4)3 solution through a medium created by mixing glass beads and crushed calcite. Fe3+ rapidly hydrolyzes to produce hydroxo complexes and H+. As pH increases through reaction with calcite, a poorly crystallized solid, ferric oxyhydroxide precipitates. Two-dimensional flow tank studies are use to verify a novel modeling approach. In the model, there is full coupling of flow and transport due to permeability changes from dissolution/precipitation reactions. Further, TOUGHREACT is used to study reaction-front dynamics, and how the aqueous phase concentrations depend upon this pattern of evolution. Both the experimental and theoretical results highlight the complexity of coupling in systems with heterogeneous reactions. The important implication of this study is that details of interactions between pore fluid and the porous medium need to be well characterized in order to predict the changing aqueous concentrations.

  11. Water transport by the bacterial channel alpha-hemolysin

    NASA Technical Reports Server (NTRS)

    Paula, S.; Akeson, M.; Deamer, D.

    1999-01-01

    This study is an investigation of the ability of the bacterial channel alpha-hemolysin to facilitate water permeation across biological membranes. alpha-Hemolysin channels were incorporated into rabbit erythrocyte ghosts at varying concentrations, and water permeation was induced by mixing the ghosts with hypertonic sucrose solutions. The resulting volume decrease of the ghosts was followed by time-resolved optical absorption at pH 5, 6, and 7. The average single-channel permeability coefficient of alpha-hemolysin for water ranged between 1.3x10-12 cm/s and 1.5x10-12 cm/s, depending on pH. The slightly increased single-channel permeability coefficient at lower pH-values was attributed to an increase in the effective pore size. The activation energy of water transport through the channel was low (Ea=5.4 kcal/mol), suggesting that the properties of water inside the alpha-hemolysin channel resemble those of bulk water. This conclusion was supported by calculations based on macroscopic hydrodynamic laws of laminar water flow. Using the known three-dimensional structure of the channel, the calculations accurately predicted the rate of water flow through the channel. The latter finding also indicated that water permeation data can provide a good estimate of the pore size for large channels.

  12. Neutron imaging of root water uptake, transport and hydraulic redistribution

    NASA Astrophysics Data System (ADS)

    Warren, J.; Bilheux, H.; Kang, M.; Voisin, S.; Cheng, C.; Horita, J.; Perfect, E.

    2012-12-01

    Knowledge of plant water fluxes is critical for assessing mechanistic processes linked to biogeochemical cycles, yet resolving root water transport dynamics has been a particularly daunting task. Our objectives were to demonstrate the ability to non-invasively monitor individual root functionality and water fluxes within 1-3-week old Zea mays L. (maize) and Panicum virgatum L. (switchgrass) seedlings using neutron imaging. Seedlings were propagated in a growth chamber adjacent to the HFIR CG1 Beam Line at Oak Ridge National Laboratory in cylindrical or plate-like aluminum chambers containing sand. Seedlings were maintained under fairly dry conditions, with water added only to replace daily evapotranspiration. Plants were placed into the high flux cold neutron beam line and injections of H2O or deuterium oxide (D2O) were tracked through the soil and root systems by collecting consecutive CCD radiographs through time. Water fluxes within the root systems were manipulated by cycling on a growth lamp that altered foliar demand for water and thus internal water potential driving forces. 2D and 3D neutron radiography readily illuminated root structure, root growth, and relative plant and soil water content. 2D pulse-chase irrigation experiments with H2O and D2O, which have different neutron cross sections and thus differences in resulting image contrast, successfully allowed observation of uptake and mass flow of water within the root system. After irrigation there was rapid root water uptake from the newly wetted soil, followed by progressive hydraulic redistribution of water through the root systems to roots terminating in dry soil. Water flux within individual roots responded differentially to foliar illumination based on internal water potential gradients. Using 2D radiography, absolute fluxes of H2O or D2O through the system could not be easily determined since neutron attenuation through the sample was dependent on unknown and dynamic magnitudes of both D and H

  13. Dynamical coupling between magnetic equilibrium and transport in tokamak scenario modelling, with application to current ramps

    NASA Astrophysics Data System (ADS)

    Fable, E.; Angioni, C.; Ivanov, A. A.; Lackner, K.; Maj, O.; Medvedev, S. Yu; Pautasso, G.; Pereverzev, G. V.; Treutterer, W.; the ASDEX Upgrade Team

    2013-07-01

    The modelling of tokamak scenarios requires the simultaneous solution of both the time evolution of the plasma kinetic profiles and of the magnetic equilibrium. Their dynamical coupling involves additional complications, which are not present when the two physical problems are solved separately. Difficulties arise in maintaining consistency in the time evolution among quantities which appear in both the transport and the Grad-Shafranov equations, specifically the poloidal and toroidal magnetic fluxes as a function of each other and of the geometry. The required consistency can be obtained by means of iteration cycles, which are performed outside the equilibrium code and which can have different convergence properties depending on the chosen numerical scheme. When these external iterations are performed, the stability of the coupled system becomes a concern. In contrast, if these iterations are not performed, the coupled system is numerically stable, but can become physically inconsistent. By employing a novel scheme (Fable E et al 2012 Nucl. Fusion submitted), which ensures stability and physical consistency among the same quantities that appear in both the transport and magnetic equilibrium equations, a newly developed version of the ASTRA transport code (Pereverzev G V et al 1991 IPP Report 5/42), which is coupled to the SPIDER equilibrium code (Ivanov A A et al 2005 32nd EPS Conf. on Plasma Physics (Tarragona, 27 June-1 July) vol 29C (ECA) P-5.063), in both prescribed- and free-boundary modes is presented here for the first time. The ASTRA-SPIDER coupled system is then applied to the specific study of the modelling of controlled current ramp-up in ASDEX Upgrade discharges.

  14. Stochastic analysis of transverse dispersion in density-coupled transport in aquifers

    USGS Publications Warehouse

    Welty, C.; Kane, A. C., III; Kauffman, L.J.

    2003-01-01

    Spectral perturbation techniques have been used previously to derive integral expressions for dispersive mixing in concentration-dependent transport in three-dimensional, heterogeneous porous media, where fluid density and viscosity are functions of solute concentration. Whereas earlier work focused on evaluating longitudinal dispersivity in isotropic media and incorporating the result in a mean one-dimensional transport model, the emphasis of this paper is on evaluation of the complete dispersion tensor, including the more general case of anisotropic media. Approximate analytic expressions for all components of the macroscopic dispersivity tensor are derived, and the tensor is shown to be asymmetric. The tensor is separated into its symmetric and antisymmetric parts, where the symmetric part is used to calculate the principal components and principal directions of dispersivity, and the antisymmetric part of the tensor is shown to modify the velocity of the solute body compared to that of the background fluid. An example set of numerical simulations incorporating the tensor illustrates the effect of density-coupled dispersivity on a sinking plume in an aquifer. The simulations show that the effective transverse vertical spreading in a sinking plume to be significantly greater than would be predicted by a standard density-coupled transport model that does not incorporate the coupling in the dispersivity tensor.

  15. Coupled porohyperelastic mass transport (PHEXPT) finite element models for soft tissues using ABAQUS.

    PubMed

    Vande Geest, Jonathan P; Simon, B R; Rigby, Paul H; Newberg, Tyler P

    2011-04-01

    Finite element models (FEMs) including characteristic large deformations in highly nonlinear materials (hyperelasticity and coupled diffusive/convective transport of neutral mobile species) will allow quantitative study of in vivo tissues. Such FEMs will provide basic understanding of normal and pathological tissue responses and lead to optimization of local drug delivery strategies. We present a coupled porohyperelastic mass transport (PHEXPT) finite element approach developed using a commercially available ABAQUS finite element software. The PHEXPT transient simulations are based on sequential solution of the porohyperelastic (PHE) and mass transport (XPT) problems where an Eulerian PHE FEM is coupled to a Lagrangian XPT FEM using a custom-written FORTRAN program. The PHEXPT theoretical background is derived in the context of porous media transport theory and extended to ABAQUS finite element formulations. The essential assumptions needed in order to use ABAQUS are clearly identified in the derivation. Representative benchmark finite element simulations are provided along with analytical solutions (when appropriate). These simulations demonstrate the differences in transient and steady state responses including finite deformations, total stress, fluid pressure, relative fluid, and mobile species flux. A detailed description of important model considerations (e.g., material property functions and jump discontinuities at material interfaces) is also presented in the context of finite deformations. The ABAQUS-based PHEXPT approach enables the use of the available ABAQUS capabilities (interactive FEM mesh generation, finite element libraries, nonlinear material laws, pre- and postprocessing, etc.). PHEXPT FEMs can be used to simulate the transport of a relatively large neutral species (negligible osmotic fluid flux) in highly deformable hydrated soft tissues and tissue-engineered materials. PMID:21428686

  16. Correlation between transepithelial Na+ transport and transepithelial water movement across isolated frog skin (Rana esculenta).

    PubMed

    Nielsen, R

    1997-09-01

    In the present work the coupling under short-circuited conditions between the net Na(+)-influx across isolated frog skin and the transepithelial transport of water was examined i.e., the short-circuit current (Isc) and the transepithelial water movement (TEWM) were measured simultaneously. It has been shown repeatedly that the Isc across isolated frog skin is equal to the net transepithelial Na+ transport. Furthermore the coupling between transepithelial uptake of NaCl under open-circuit conditions and TEWM was also measured. The addition of antidiuretic hormone (AVT) to skins incubated under short-circuited conditions resulted in an increase in the Isc and TEWM. Under control conditions Isc was 9.14 +/- 2.43 and in the presence of AVT 45.9 +/- 7.3 neq cm-2 min-1 (n = 9) and TEWM changed from 12.45 +/- 4.46 to 132.8 +/- 15.8 nL cm-2 min-1. The addition of the Na+ channel blocking agent amiloride resulted in a reduction both in Isc and TEWM, and a linear correlation between Isc and TEWM was found. The correlation corresponds to that 160 +/- 15 (n = 7) molecules of water follow each Na+ across the skin. In another series of experiments it was found that there was a linear correlation between Isc and the increase in apical osmolarity needed to stop the TEWM. The data presented indicate that the observed coupling between the net transepithelial Na+ transport and TEWM is caused by local osmosis. PMID:9309211

  17. Fano effect dominance over Coulomb blockade in transport properties of parallel coupled quantum dot system

    SciTech Connect

    Brogi, Bharat Bhushan Ahluwalia, P. K.; Chand, Shyam

    2015-06-24

    Theoretical study of the Coulomb blockade effect on transport properties (Transmission Probability and I-V characteristics) for varied configuration of coupled quantum dot system has been studied by using Non Equilibrium Green Function(NEGF) formalism and Equation of Motion(EOM) method in the presence of magnetic flux. The self consistent approach and intra-dot Coulomb interaction is being taken into account. As the key parameters of the coupled quantum dot system such as dot-lead coupling, inter-dot tunneling and magnetic flux threading through the system can be tuned, the effect of asymmetry parameter and magnetic flux on this tuning is being explored in Coulomb blockade regime. The presence of the Coulomb blockade due to on-dot Coulomb interaction decreases the width of transmission peak at energy level ε + U and by adjusting the magnetic flux the swapping effect in the Fano peaks in asymmetric and symmetric parallel configuration sustains despite strong Coulomb blockade effect.

  18. Extending plasma transport theory to strong coupling through the concept of an effective interaction potential

    SciTech Connect

    Baalrud, Scott D.; Daligault, Jérôme

    2014-05-15

    A method for extending traditional plasma transport theories into the strong coupling regime is presented. Like traditional theories, this is based on a binary scattering approximation, but where physics associated with many body correlations is included through the use of an effective interaction potential. The latter is simply related to the pair-distribution function. Modeling many body effects in this manner can extend traditional plasma theory to orders of magnitude stronger coupling. Theoretical predictions are tested against molecular dynamics simulations for electron-ion temperature relaxation as well as diffusion in one component systems. Emphasis is placed on the connection with traditional plasma theory, where it is stressed that the effective potential concept has precedence through the manner in which screening is imposed. The extension to strong coupling requires accounting for correlations in addition to screening. Limitations of this approach in the presence of strong caging are also discussed.

  19. A coupling model of the radiative transport equation for calculating photon migration in biological tissue

    NASA Astrophysics Data System (ADS)

    Fujii, Hiroyuki; Okawa, Shinpei; Yamada, Yukio; Hoshi, Yoko; Watanabe, Masao

    2015-12-01

    Development of a physically accurate and computationally efficient photon migration model for turbid media is crucial for optical computed tomography such as diffuse optical tomography. For the development, this paper constructs a space-time coupling model of the radiative transport equation with the photon diffusion equation. In the coupling model, a space-time regime of the photon migration is divided into the ballistic and diffusive regimes with the interaction between the both regimes to improve the accuracy of the results and the efficiency of computation. The coupling model provides an accurate description of the photon migration in various turbid media in a wide range of the optical properties, and reduces computational loads when compared with those of full calculation of the RTE.

  20. Coupling between geochemical reactions and multicomponent gas and solute transport in unsaturated media: A reactive transport modeling study

    NASA Astrophysics Data System (ADS)

    Molins, S.; Mayer, K. U.

    2007-05-01

    The two-way coupling that exists between biogeochemical reactions and vadose zone transport processes, in particular gas phase transport, determines the composition of soil gas. To explore these feedback processes quantitatively, multicomponent gas diffusion and advection are implemented into an existing reactive transport model that includes a full suite of geochemical reactions. Multicomponent gas diffusion is described on the basis of the dusty gas model, which accounts for all relevant gas diffusion mechanisms. The simulation of gas attenuation in partially saturated landfill soil covers, methane production, and oxidation in aquifers contaminated by organic compounds (e.g., an oil spill site) and pyrite oxidation in mine tailings demonstrate that both diffusive and advective gas transport can be affected by geochemical reactions. Methane oxidation in landfill covers reduces the existing upward pressure gradient, thereby decreasing the contribution of advective methane emissions to the atmosphere and enhancing the net flux of atmospheric oxygen into the soil column. At an oil spill site, methane oxidation causes a reversal in the direction of gas advection, which results in advective transport toward the zone of oxidation both from the ground surface and the deeper zone of methane production. Both diffusion and advection contribute to supply atmospheric oxygen into the subsurface, and methane emissions to the atmosphere are averted. During pyrite oxidation in mine tailings, pressure reduction in the reaction zone drives advective gas flow into the sediment column, enhancing the oxidation process. In carbonate-rich mine tailings, calcite dissolution releases carbon dioxide, which partly offsets the pressure reduction caused by O2 consumption.

  1. Effect of wind forcing on the meridional heat transport in a coupled climate model: equilibrium response

    NASA Astrophysics Data System (ADS)

    Yang, Haijun; Dai, Haijin

    2015-09-01

    The effect of the ocean surface winds on the meridional heat transports is studied in a coupled model. Shutting down the global surface winds causes significant reductions in both wind-driven and thermohaline ocean circulations, resulting in a remarkable decrease in the poleward oceanic heat transport (OHT). The sea surface temperature responds with significant warming in the equator and cooling off the equator, causing an enhancement and equatorward shift in the Hadley cell. This increases the poleward atmospheric heat transport (AHT), which in turn compensates the decrease in the OHT. This compensation implies a fundamental constraint in changes of ocean-atmosphere energy transports. Several other compensation changes are also identified. For the OHT components, the changes in the Eulerian mean and bolus OHT are compensated with each other in the Southern Ocean, since a stronger wind driven Ekman transport is associated with a stronger meridional density gradient (stronger bolus circulation) and vice versa. For the AHT components, the changes in the dry static energy (DSE) and latent energy transports are compensated within the tropics (30°N/S), because a stronger Hadley cell causes a stronger equatorward convergence of moisture. In the extratropics, the changes in the mean and eddy DSE transports show perfect compensation, as a result of the equatorward shift of the Ferrell Cell and enhancement of atmospheric baroclinicity in mid-high latitudes, particularly over the North Atlantic. This work also shows how the Earth's climate is trying to maintain the balance between two hemispheres: the ocean in the Northern Hemisphere is colder than that in the Southern Hemisphere due to much reduced northward heat transports cross the Equator in the Atlantic, therefore, the atmosphere responds to the ocean with temperature colder in the Southern Hemisphere than in the Northern Hemisphere by transporting more heat northward cross the equator over the Pacific, in association

  2. Controlled electrostatic assembly of quantum dots vis-à-vis their electronic coupling and transport gap.

    PubMed

    Ghosh, Batu; Pal, Amlan J

    2011-05-28

    We correlate the electronic coupling between quantum dots and the transport gap of nanoparticle-passivated Si substrates. We vary the length of the stabilizers of CdS nanoparticles, which in turn alters the particle-to-particle separation and hence the electronic coupling between them. We also control the electronic coupling using time-restricted electrostatic-assembly of quantum dots, using short periods of time so that an incomplete monolayer or a sub-monolayer of CdS forms. In such a sub-monolayer, the nanoparticles remain isolated from each other with a controllable particle-to-particle separation. From electronic absorption spectroscopy of multilayer films and atomic force microscopy of a monolayer, we evidenced sub-monolayer formation in the controlled electrostatic assembly process. We measure the current-voltage characteristics of nanoparticle-passivated substrates with a scanning tunnelling microscope; we show that the transport gap of nanoparticle-passivated substrates depends on the electronic coupling between CdS particles in the monolayer. PMID:21465033

  3. Mass transport in low permeability rocks under the influence of coupled thermomechanical and hydrochemical effects - an overview

    SciTech Connect

    Tsang, C.F.

    1984-10-01

    The present paper gives a general overview of mass transport in low permeability rocks under the coupled thermomechanical and hydrochemical effects associated with a nuclear waste repository. A classification of coupled processes is given. Then an ess is presented. example of a coupled process is presented. Discussions of coupled processes based on a recent LBL Panel meeting are summarized. 5 references, 3 figures, 4 tables.

  4. Transport of dissolved organic carbon from soil to surface water: Identifying the transport pathways

    NASA Astrophysics Data System (ADS)

    Van Gaelen, Nele

    2013-04-01

    Over the last decades, increasing concentrations of dissolved organic carbon (DOC) have been found in surface waters. It has also become clear that land use is an important driver for DOC export. However, causal factors controlling this temporal and spatial variation are not clear. Efforts to model DOC export on a catchment scale are rare. In this research, we aim to determine the factors controlling variations in DOC concentration and quality in surface waters. Secondly, the importance of the different pathways (surface runoff, subsurface flow and groundwater flow) for the transport of dissolved organic matter from the soil to the surface water is investigated. Six headwater catchments (100 - 400 ha) were selected in Belgium, representing three different types of land use, namely forest, grassland and arable land. At the outlet of each catchment, a flow-proportional sampler has been collecting samples of base flow and peak discharge since January 2010. In addition, samples of groundwater, subsurface water and precipitation water were collected on a regular base in three of the catchments. Samples were analyzed for DOC, specific UV absorbance (SUVA) and dissolved silica (DSi). Elemental analysis was carried out using ICP-OES. Since 2012, precipitation water and a selection of river water samples was also analyzed for O and H isotopes. Overall, DOC concentrations were highest in forest catchments and lowest in grassland catchments. For all land use types, measured DOC concentrations were highest during peak discharge. The rise in DOC concentrations was associated with a change in DOC quality. During periods of greater discharge, higher SUVA values were measured, indicating DOC with higher aromaticity (humic and fulvic fractions) reaches the outlet. ICP and DSi results also showed a significant difference in geochemical composition of the river water if peak events are compared to base flow samples. During an event, Ca, Mg, Na, S and DSi concentrations were lowered

  5. Well-balanced central-upwind scheme for a fully coupled shallow water system modeling flows over erodible bed

    NASA Astrophysics Data System (ADS)

    Liu, Xin; Mohammadian, Abdolmajid; Kurganov, Alexander; Infante Sedano, Julio Angel

    2015-11-01

    Intense sediment transport and rapid bed evolution are frequently observed under highly-energetic flows, and bed erosion sometimes is of the same magnitude as the flow itself. Simultaneous simulation of multiple physical processes requires a fully coupled system to achieve an accurate hydraulic and morphodynamical prediction. In this paper, we develop a high-order well-balanced finite-volume method for a new fully coupled two-dimensional hyperbolic system consisting of the shallow water equations with friction terms coupled with the equations modeling the sediment transport and bed evolution. The nonequilibrium sediment transport equation is used to predict the sediment concentration variation. Since bed-load, sediment entrainment and deposition have significant effects on the bed evolution, an Exner-based equation is adopted together with the Grass bed-load formula and sediment entrainment and deposition models to calculate the morphological process. The resulting 5 × 5 hyperbolic system of balance laws is numerically solved using a Godunov-type central-upwind scheme on a triangular grid. A computationally expensive process of finding all of the eigenvalues of the Jacobian matrices is avoided: The upper/lower bounds on the largest/smallest local speeds of propagation are estimated using the Lagrange theorem. A special discretization of the bed-slope term is proposed to guarantee the well-balanced property of the designed scheme. The proposed fully coupled model is verified on a number of numerical experiments.

  6. Large-voltage behavior of charge transport characteristics in nanosystems with weak electron-vibration coupling.

    PubMed

    Novotný, Tomáš; Belzig, Wolfgang

    2015-01-01

    We study analytically the Full Counting Statistics of the charge transport through a nanosystem consisting of a few electronic levels weakly coupled to a discrete vibrational mode. In the limit of large transport voltage bias the cumulant generating function can be evaluated explicitly based solely on the intuitive physical arguments and classical master equation description of the vibration mode. We find that for the undamped vibrational modes mutual dynamical interplay between electronic and vibronic degrees of freedom leads to strongly nonlinear (in voltage) transport characteristics of the nanosystem. In particular, we find that for large voltages the k-th cumulant of the current grows as V (2k) to be contrasted with the linear dependence in case of more strongly externally damped and thus thermalized vibrational modes. PMID:26425436

  7. Large-voltage behavior of charge transport characteristics in nanosystems with weak electron–vibration coupling

    PubMed Central

    Belzig, Wolfgang

    2015-01-01

    Summary We study analytically the Full Counting Statistics of the charge transport through a nanosystem consisting of a few electronic levels weakly coupled to a discrete vibrational mode. In the limit of large transport voltage bias the cumulant generating function can be evaluated explicitly based solely on the intuitive physical arguments and classical master equation description of the vibration mode. We find that for the undamped vibrational modes mutual dynamical interplay between electronic and vibronic degrees of freedom leads to strongly nonlinear (in voltage) transport characteristics of the nanosystem. In particular, we find that for large voltages the k-th cumulant of the current grows as V 2k to be contrasted with the linear dependence in case of more strongly externally damped and thus thermalized vibrational modes. PMID:26425436

  8. The Effect of Yaw Coupling in Turning Maneuvers of Large Transport Aircraft

    NASA Technical Reports Server (NTRS)

    McNeill, Walter E.; Innis, Robert C.

    1965-01-01

    A study has been made, using a piloted moving simulator, of the effects of the yaw-coupling parameters N(sub p) and N(sub delta(sub a) on the lateral-directional handling qualities of a large transport airplane at landing-approach airspeed. It is shown that the desirable combinations of these parameters tend to be more proverse when compared with values typical of current aircraft. Results of flight tests in a large variable-stability jet transport showed trends which were similar to those of the simulator data. Areas of minor disagreement, which were traced to differences in airplane geometry, indicate that pilot consciousness of side acceleration forces can be an important factor in handling qualities of future long-nosed transport aircraft.

  9. Consecutive transitions from localized to delocalized transport states in the anharmonic chain of three coupled oscillators

    NASA Astrophysics Data System (ADS)

    Kislovsky, V.; Kovaleva, M.; Jayaprakash, K. R.; Starosvetsky, Y.

    2016-07-01

    In the present paper, we study the mechanism of formation and bifurcations of highly nonstationary regimes manifested by different energy transport intensities, emerging in an anharmonic trimer model. The basic model under investigation comprises a chain of three coupled anharmonic oscillators subject to localized excitation, where the initial energy is imparted to the first oscillator only. We report the formation of three basic nonstationary transport states traversed by locally excited regimes. These states differ by spatial energy distribution, as well as by the intensity of energy transport along the chain. In the current study, we focus on numerical and analytical investigation of the intricate resonant mechanism governing the inter-state transitions of locally excited regimes. Results of the analytical study are in good agreement with the numerical simulations of the trimer model.

  10. Cost Analysis of Water Transport for Climate Change Impact Assessment

    NASA Astrophysics Data System (ADS)

    Szaleniec, V.; Buytaert, W.

    2012-04-01

    It is expected that climate change will have a strong impact on water resources worldwide. Many studies exist that couple the output of global climate models with hydrological models to assess the impact of climate change on physical water availability. However, the water resources topology of many regions and especially that of cities can be very complex. Changes in physical water availability do therefore not translate easily into impacts on water resources for cities. This is especially the case for cities with a complex water supply topology, for instance because of geographical barriers, strong gradients in precipitation patterns, or competing water uses. In this study we explore the use of cost maps to enable the inclusion of water supply topologies in climate change impact studies. We use the city of Lima as a case study. Lima is the second largest desert city in the world. Although Peru as a whole has no water shortage, extreme gradients exist. Most of the economic activities including the city of Lima are located in the coastal desert. This region is geographically disconnected from the wet Amazon basin because of the Andes mountain range. Hence, water supply is precarious, provided by a complex combination of high mountain ecosystems including wetlands and glaciers, as well as groundwater aquifers depending on recharge from the mountains. We investigate the feasibility and costs of different water abstraction scenarios and the impact of climate change using cost functions for different resources. The option of building inter basins tunnels across the Andes is compared to the costs of desalinating seawater from the Pacific Ocean under different climate change scenarios and population growth scenarios. This approach yields recommendations for the most cost-effective options for the future.

  11. Interrelation of ethylene glycol, urea and water transport in the red cell.

    PubMed

    Toon, M R; Solomon, A K

    1987-04-23

    The reflection coefficient, sigma j, which measures the coupling between the jth solute and water transport across a semipermeable membrane, varies between 0 and 1.0. Values of sigma j significantly less than 1.0 provide irreversible thermodynamic proof that there is coupling between the transport of solute and solvent and thus that they share a common pathway. We have developed an improved method for measuring sigma and have used it to determine that sigma ethylene glycol = 0.71 +/- 0.03 and sigma urea = 0.65 +/- 0.03, in agreement with many, but not all, previous determinations. Since both of these values are significantly lower than 1.0, they show that there is a common ethylene glycol/water pathway and a common urea/water pathway. Addition of first one and then two methyl groups to urea increases sigma to 0.89 +/- 0.04 for methylurea and 0.98 +/- 0.4 for 1,3-dimethylurea, consistent with passage through an aqueous pore with a sharp cutoff in the 6-7 A region. PMID:3567182

  12. Numerical modeling of watershed-scale radiocesium transport coupled with biogeochemical cycling in forests

    NASA Astrophysics Data System (ADS)

    Mori, K.; Tada, K.; Tawara, Y.; Tosaka, H.; Ohno, K.; Asami, M.; Kosaka, K.

    2015-12-01

    Since the Fukushima Dai-ichi Nuclear Power Plant (FDNPP) accident, intensive monitoring and modeling works on radionuclide transfer in environment have been carried out. Although Cesium (Cs) concentration has been attenuating due to both physical and environmental half-life (i.e., wash-off by water and sediment), the attenuation rate depends clearly on the type of land use and land cover. In the Fukushima case, studying the migration in forest land use is important for predicting the long-term behavior of Cs because most of the contaminated region is covered by forests. Atmospheric fallout is characterized by complicated behavior in biogeochemical cycle in forests which can be described by biotic/abiotic interactions between many components. In developing conceptual and mathematical model on Cs transfer in forest ecosystem, defining the dominant components and their interactions are crucial issues (BIOMASS, 1997-2001). However, the modeling of fate and transport in geosphere after Cs exports from the forest ecosystem is often ignored. An integrated watershed modeling for simulating spatiotemporal redistribution of Cs that includes the entire region from source to mouth and surface to subsurface, has been recently developed. Since the deposited Cs can migrate due to water and sediment movement, the different species (i.e., dissolved and suspended) and their interactions are key issues in the modeling. However, the initial inventory as source-term was simplified to be homogeneous and time-independent, and biogeochemical cycle in forests was not explicitly considered. Consequently, it was difficult to evaluate the regionally-inherent characteristics which differ according to land uses, even if the model was well calibrated. In this study, we combine the different advantages in modeling of forest ecosystem and watershed. This enable to include more realistic Cs deposition and time series of inventory can be forced over the land surface. These processes are integrated

  13. Co-regulation of water and K(+) transport in sunflower plants during water stress recovery.

    PubMed

    Benlloch, Manuel; Benlloch-González, María

    2016-06-01

    16-day-old sunflower (Helianthus annuus L.) plants were subjected to deficit irrigation for 12 days. Following this period, plants were rehydrated for 2 days to study plant responses to post-stress recovery. The moderate water stress treatment applied reduced growth in all plant organs and the accumulation of K(+) in the shoot. After the rehydration period, the stem recovered its growth and reached a similar length to the control, an effect which was not observed in either root or leaves. Moreover, plant rehydration after water stress favored the accumulation of K(+) in the apical zone of the stem and expanding leaves. In the roots of plants under water stress, watering to field capacity, once the plants were de- topped, rapidly favored K(+) and water transport in the excised roots. This quick and short-lived response was not observed in roots of plants recovered from water stress for 2 days. These results suggest that the recovery of plant growth after water stress is related to coordinated water and K(+) transport from the root to the apical zone of the ​​stem and expanding leaves. This stimulation of K(+) transport in the root and its accumulation in the cells of the growing zones of the ​​stem must be one of the first responses induced in the plant during water stress recovery. PMID:27016874

  14. Tunable transport through a quantum dot chain with side-coupled Majorana bound states

    SciTech Connect

    Jiang, Cui; Lu, Gang; Gong, Wei-Jiang

    2014-09-14

    We investigate the transport properties of a quantum dot (QD) chain side-coupled to a pair of Majorana bound states (MBSs). It is found that the zero-bias conductance is tightly dependent on the parity of QD number. First, if a Majorana zero mode is introduced to couple to one QD of the odd-numbered QD structure, the zero-bias conductance is equal to (e{sup 2})/(2h) , but the zero-bias conductance will experience a valley-to-peak transition if the Majorana zero mode couples to the different QDs of the even-numbered QD structure. On the other hand, when the inter-MBS coupling is nonzero, the zero-bias conductance spectrum shows a peak in the odd-numbered QD structure, and in the even-numbered QD structure one conductance valley appears at the zero-bias limit. These results show the feasibility to manipulate the current in a multi-QD structure based on the QD-MBS coupling. Also, such a system can be a candidate for detecting the MBSs.

  15. Evaluation of bremsstrahlung contribution to photon transport in coupled photon-electron problems

    NASA Astrophysics Data System (ADS)

    Fernández, Jorge E.; Scot, Viviana; Di Giulio, Eugenio; Salvat, Francesc

    2015-11-01

    The most accurate description of the radiation field in x-ray spectrometry requires the modeling of coupled photon-electron transport. Compton scattering and the photoelectric effect actually produce electrons as secondary particles which contribute to the photon field through conversion mechanisms like bremsstrahlung (which produces a continuous photon energy spectrum) and inner-shell impact ionization (ISII) (which gives characteristic lines). The solution of the coupled problem is time consuming because the electrons interact continuously and therefore, the number of electron collisions to be considered is always very high. This complex problem is frequently simplified by neglecting the contributions of the secondary electrons. Recent works (Fernández et al., 2013; Fernández et al., 2014) have shown the possibility to include a separately computed coupled photon-electron contribution like ISII in a photon calculation for improving such a crude approximation while preserving the speed of the pure photon transport model. By means of a similar approach and the Monte Carlo code PENELOPE (coupled photon-electron Monte Carlo), the bremsstrahlung contribution is characterized in this work. The angular distribution of the photons due to bremsstrahlung can be safely considered as isotropic, with the point of emission located at the same place of the photon collision. A new photon kernel describing the bremsstrahlung contribution is introduced: it can be included in photon transport codes (deterministic or Monte Carlo) with a minimal effort. A data library to describe the energy dependence of the bremsstrahlung emission has been generated for all elements Z=1-92 in the energy range 1-150 keV. The bremsstrahlung energy distribution for an arbitrary energy is obtained by interpolating in the database. A comparison between a PENELOPE direct simulation and the interpolated distribution using the data base shows an almost perfect agreement. The use of the data base increases

  16. Characterization of the specific solid-water interfacial area-water saturation relationship and its import to reactive transport

    SciTech Connect

    Saripalli, Kanaka P.; Freedman, Vicky L.; McGrail, B. Peter; Meyer, Philip D.

    2006-05-01

    A modified rate equation for the dissolution of minerals in the unsaturated zone was proposed using a solid-water interfacial area (asw) varying as a function of water saturation (Sw). Vadose zone phenomena, such as infiltration, were discussed as example scenarios where such re-formulation may be useful. A constitutive relationship for the asw - Sw was derived, and used to formulate an approximate model of the proposed rate equation. Implementation of this new model in the reactive transport code CRUNCH was used to evaluate the influence of a changing asw on reactive transport behavior of silica in the vadose zone. These simulations clearly demonstrate that a changing asw can have a significant impact on the silica distribution profiles in the vadose zone. This is to be expected because changes in asw are substantial in the dry Sw range, whereas they are only moderate in the relatively wet region. These findings have significant implications for contaminant transport in the vadose zone, especially in arid regions. Ignoring the effect of a changing asw is likely to result in an overestimation of the net contaminant fluxes in these cases, which leads to highly conservative risk assessments. In case of nutrient flux calculations coupled with dissolution phenomena, it may lead to an overestimation of nutrient availability. Additional theoretical and experimental verification of the proposed models would be valuable.

  17. Full counting statistics of transport electrons through a two-level quantum dot with spin–orbit coupling

    SciTech Connect

    Wang, Z.M.; Xue, H.B.; Xue, N.T.; Liang, J.-Q.

    2015-02-15

    We study the full counting statistics of transport electrons through a semiconductor two-level quantum dot with Rashba spin–orbit (SO) coupling, which acts as a nonabelian gauge field and thus induces the electron transition between two levels along with the spin flip. By means of the quantum master equation approach, shot noise and skewness are obtained at finite temperature with two-body Coulomb interaction. We particularly demonstrate the crucial effect of SO coupling on the super-Poissonian fluctuation of transport electrons, in terms of which the SO coupling can be probed by the zero-frequency cumulants. While the charge currents are not sensitive to the SO coupling.

  18. Molecular level water and solute transport in reverse osmosis membranes

    NASA Astrophysics Data System (ADS)

    Lueptow, Richard M.; Shen, Meng; Keten, Sinan

    2015-11-01

    The water permeability and rejection characteristics of six solutes, methanol, ethanol, 2-propanol, urea, Na+, and Cl-, were studied for a polymeric reverse osmosis (RO) membrane using non-equilibrium molecular dynamics simulations. Results indicate that water flux increases with an increasing fraction of percolated free volume in the membrane polymer structure. Solute molecules display Brownian motion and hop from pore to pore as they pass through the membrane. The solute rejection depends on both the size of the solute molecule and the chemical interaction of the solute with water and the membrane. When the open spaces in the polymeric structure are such that solutes have to shed at least one water molecule from their solvation shell to pass through the membrane molecular structure, the water-solute pair interaction energy governs solute rejection. Organic solutes more easily shed water molecules than ions to more readily pass through the membrane. Hydrogen-bonding sites for molecules like urea also lead to a higher rejection. These findings underline the importance of the solute's solvation shell and solute-water-membrane chemistry in solute transport and rejection in RO membranes. Funded by the Institute for Sustainability and Energy at Northwestern with computing resources from XSEDE (NSF grant ACI-1053575).

  19. Chancellor Water Colloids: Characterization and Radionuclide Associated Transport

    SciTech Connect

    Reimus, Paul William; Boukhalfa, Hakim

    2014-09-26

    Column transport experiments were conducted in which water from the Chancellor nuclear test cavity was transported through crushed volcanic tuff from Pahute Mesa. In one experiment, the cavity water was spiked with solute 137Cs, and in another it was spiked with 239/240Pu(IV) nanocolloids. A third column experiment was conducted with no radionuclide spike at all, although the 137Cs concentrations in the water were still high enough to quantify in the column effluent. The radionuclides strongly partitioned to natural colloids present in the water, which were characterized for size distribution, mass concentration, zeta potential/surface charge, critical coagulation concentration, and qualitative mineralogy. In the spiked water experiments, the unanalyzed portion of the high-concentration column effluent samples were combined and re-injected into the respective columns as a second pulse. This procedure was repeated again for a third injection. Measurable filtration of the colloids was observed after each initial injection of the Chancellor water into the columns, but the subsequent injections (spiked water experiments only) exhibited no apparent filtration, suggesting that the colloids that remained mobile after relatively short transport distances were more resistant to filtration than the initial population of colloids. It was also observed that while significant desorption of 137Cs from the colloids occurred after the first injection in both the spiked and unspiked waters, subsequent injections of the spiked water exhibited much less 137Cs desorption (much greater 137Cs colloid-associated transport). This result suggests that the 137Cs that remained associated with colloids during the first injection represented a fraction that was more strongly adsorbed to the mobile colloids than the initial 137Cs associated with the colloids. A greater amount of the 239/240

  20. A Model to Couple Flow, Thermal and Reactive Chemical Transport, and Geo-mechanics in Variably Saturated Media

    NASA Astrophysics Data System (ADS)

    Yeh, G. T.; Tsai, C. H.

    2015-12-01

    This paper presents the development of a THMC (thermal-hydrology-mechanics-chemistry) process model in variably saturated media. The governing equations for variably saturated flow and reactive chemical transport are obtained based on the mass conservation principle of species transport supplemented with Darcy's law, constraint of species concentration, equation of states, and constitutive law of K-S-P (Conductivity-Degree of Saturation-Capillary Pressure). The thermal transport equation is obtained based on the conservation of energy. The geo-mechanic displacement is obtained based on the assumption of equilibrium. Conventionally, these equations have been implicitly coupled via the calculations of secondary variables based on primary variables. The mechanisms of coupling have not been obvious. In this paper, governing equations are explicitly coupled for all primary variables. The coupling is accomplished via the storage coefficients, transporting velocities, and conduction-dispersion-diffusion coefficient tensor; one set each for every primary variable. With this new system of equations, the coupling mechanisms become clear. Physical interpretations of every term in the coupled equations will be discussed. Examples will be employed to demonstrate the intuition and superiority of these explicit coupling approaches. Keywords: Variably Saturated Flow, Thermal Transport, Geo-mechanics, Reactive Transport.

  1. Modeling greenhouse gas emissions and nutrient transport in managed arable soils with a fully coupled hydrology-biogeochemical modeling system

    NASA Astrophysics Data System (ADS)

    Haas, Edwin; Klatt, Steffen; Kiese, Ralf; Butterbach-Bahl, Klaus; Kraft, Philipp; Breuer, Lutz

    2015-04-01

    The use of mineral nitrogen fertilizer sustains the global food production and therefore the livelihood of human kind. The rise in world population will put pressure on the global agricultural system to increase its productivity leading most likely to an intensification of mineral nitrogen fertilizer use. The fate of excess nitrogen and its distribution within landscapes is manifold. Process knowledge on the site scale has rapidly grown in recent years and models have been developed to simulate carbon and nitrogen cycling in managed ecosystems on the site scale. Despite first regional studies, the carbon and nitrogen cycling on the landscape or catchment scale is not fully understood. In this study we present a newly developed modelling approach by coupling the fully distributed hydrology model CMF (catchment modelling framework) to the process based regional ecosystem model LandscapeDNDC for the investigation of hydrological processes and carbon and nitrogen transport and cycling, with a focus on nutrient displacement and resulting greenhouse gas emissions in various virtual landscapes / catchment to demonstrate the capabilities of the modelling system. The modelling system was applied to simulate water and nutrient transport at the at the Yanting Agro-ecological Experimental Station of Purple Soil, Sichuan province, China. The catchment hosts cypress forests on the outer regions, arable fields on the sloping croplands cultivated with wheat-maize rotations and paddy rice fields in the lowland. The catchment consists of 300 polygons vertically stratified into 10 soil layers. Ecosystem states (soil water content and nutrients) and fluxes (evapotranspiration) are exchanged between the models at high temporal scales (hourly to daily) forming a 3-dimensional model application. The water flux and nutrients transport in the soil is modelled using a 3D Richards/Darcy approach for subsurface fluxes with a kinematic wave approach for surface water runoff and the

  2. Development of a GPU-based Monte Carlo dose calculation code for coupled electron-photon transport.

    PubMed

    Jia, Xun; Gu, Xuejun; Sempau, Josep; Choi, Dongju; Majumdar, Amitava; Jiang, Steve B

    2010-06-01

    Monte Carlo simulation is the most accurate method for absorbed dose calculations in radiotherapy. Its efficiency still requires improvement for routine clinical applications, especially for online adaptive radiotherapy. In this paper, we report our recent development on a GPU-based Monte Carlo dose calculation code for coupled electron-photon transport. We have implemented the dose planning method (DPM) Monte Carlo dose calculation package (Sempau et al 2000 Phys. Med. Biol. 45 2263-91) on the GPU architecture under the CUDA platform. The implementation has been tested with respect to the original sequential DPM code on the CPU in phantoms with water-lung-water or water-bone-water slab geometry. A 20 MeV mono-energetic electron point source or a 6 MV photon point source is used in our validation. The results demonstrate adequate accuracy of our GPU implementation for both electron and photon beams in the radiotherapy energy range. Speed-up factors of about 5.0-6.6 times have been observed, using an NVIDIA Tesla C1060 GPU card against a 2.27 GHz Intel Xeon CPU processor. PMID:20463376

  3. Applications of the compensating pressure theory of water transport.

    PubMed

    Canny, M

    1998-07-01

    Some predictions of the recently proposed theory of long-distance water transport in plants (the Compensating Pressure Theory) have been verified experimentally in sunflower leaves. The xylem sap cavitates early in the day under quite small water stress, and the compensating pressure P (applied as the tissue pressure of turgid cells) pushes water into embolized vessels, refilling them during active transpiration. The water potential, as measured by the pressure chamber or psychrometer, is not a measure of the pressure in the xylem, but (as predicted by the theory) a measure of the compensating pressure P. As transpiration increases, P is increased to provide more rapid embolism repair. In many leaf petioles this increase in P is achieved by the hydrolysis of starch in the starch sheath to soluble sugars. At night P falls as starch is reformed. A hypothesis is proposed to explain these observations by pressure-driven reverse osmosis of water from the ground parenchyma of the petiole. Similar processes occur in roots and are manifested as root pressure. The theory requires a pump to transfer water from the soil into the root xylem. A mechanism is proposed by which this pump may function, in which the endodermis acts as a one-way valve and a pressure-confining barrier. Rays and xylem parenchyma of wood act like the xylem parenchyma of petioles and roots to repair embolisms in trees. The postulated root pump permits a re-appraisal of the work done by evaporation during transpiration, leading to the proposal that in tall trees there is no hydrostatic gradient to be overcome in lifting water. Some published observations are re-interpreted in terms of the theory: doubt is cast on the validity of measurements of hydraulic conductance of wood; vulnerability curves are found not to measure the cavitation threshold of water in the xylem, but the osmotic pressure of the xylem parenchyma; if measures of xylem pressure and of hydraulic conductance are both suspect, the accepted

  4. The SLC36 family of proton-coupled amino acid transporters and their potential role in drug transport

    PubMed Central

    Thwaites, David T; Anderson, Catriona MH

    2011-01-01

    Members of the solute carrier (SLC) 36 family are involved in transmembrane movement of amino acids and derivatives. SLC36 consists of four members. SLC36A1 and SLC36A2 both function as H+-coupled amino acid symporters. SLC36A1 is expressed at the luminal surface of the small intestine but is also commonly found in lysosomes in many cell types (including neurones), suggesting that it is a multipurpose carrier with distinct roles in different cells including absorption in the small intestine and as an efflux pathway following intralysosomal protein breakdown. SLC36A1 has a relatively low affinity (Km 1–10 mM) for its substrates, which include zwitterionic amino and imino acids, heterocyclic amino acids and amino acid-based drugs and derivatives used experimentally and/or clinically to treat epilepsy, schizophrenia, bacterial infections, hyperglycaemia and cancer. SLC36A2 is expressed at the apical surface of the human renal proximal tubule where it functions in the reabsorption of glycine, proline and hydroxyproline. SLC36A2 also transports amino acid derivatives but has a narrower substrate selectivity and higher affinity (Km 0.1–0.7 mM) than SLC36A1. Mutations in SLC36A2 lead to hyperglycinuria and iminoglycinuria. SLC36A3 is expressed only in testes and is an orphan transporter with no known function. SLC36A4 is widely distributed at the mRNA level and is a high-affinity (Km 2–3 µM) transporter for proline and tryptophan. We have much to learn about this family of transporters, but from current knowledge, it seems likely that their function will influence the pharmacokinetic profiles of amino acid-based drugs by mediating transport in both the small intestine and kidney. LINKED ARTICLES This article is part of a themed section on Transporters. To view the other articles in this section visit http://dx.doi.org/10.1111/bph.2011.164.issue-7 PMID:21501141

  5. Woody debris transport modelling by a coupled DE-SW approach

    NASA Astrophysics Data System (ADS)

    Persi, Elisabetta; Petaccia, Gabriella; Sibilla, Stefano

    2016-04-01

    The presence of wood in rivers is gaining more and more attention: on one side, the inclusion of woody debris in streams is emphasized for its ecological benefits; on the other hand, particular attention must be paid to its management, not to affect hydraulic safety. Recent events have shown that wood can be mobilized during floodings (Comiti et al. 2008, Lange and Bezzola 2006), aggravating inundations, in particular near urban areas. For this reason, the inclusion of woody debris influence on the prediction of flooded areas is an important step toward the reduction of hydraulic risk. Numerical modelling plays an important role to this purpose. Ruiz-Villanueva et al. (2014) use a two-dimensional numerical model to calculate the kinetics of cylindrical woody debris transport, taking into account also the hydrodynamic effects of wood. The model here presented couples a Discrete Element approach (DE) for the calculation of motion of a cylindrical log with the solution of the Shallow Water Equations (SW), in order to simulate woody debris transport in a two-dimensional stream. In a first step, drag force, added mass force and side force are calculated from flow and log velocities, assuming a reference area and hydrodynamic coefficients taken from literature. Then, the equations of dynamics are solved to model the planar roto-translation of the wooden cylinder. Model results and its physical reliability are clearly affected by the values of the drag and side coefficients, which in turn depend upon log submergence and angle towards the flow direction. Experimental studies to evaluate drag and side coefficients can be found for a submerged cylinder, with various orientations (Gippel et al. 1996; Hoang et al. 2015). To extend such results to the case of a floating (non-totally submerged) cylinder, the authors performed a series of laboratory tests whose outcomes are implemented in the proposed DE-SW model, to assess the effects of these values on the dynamic of woody

  6. Modeling the coupled mechanics, transport, and growth processes in collagen tissues.

    SciTech Connect

    Holdych, David J.; Nguyen, Thao D.; Klein, Patrick A.; in't Veld, Pieter J.; Stevens, Mark Jackson

    2006-11-01

    The purpose of this project is to develop tools to model and simulate the processes of self-assembly and growth in biological systems from the molecular to the continuum length scales. The model biological system chosen for the study is the tendon fiber which is composed mainly of Type I collagen fibrils. The macroscopic processes of self-assembly and growth at the fiber scale arise from microscopic processes at the fibrillar and molecular length scales. At these nano-scopic length scales, we employed molecular modeling and simulation method to characterize the mechanical behavior and stability of the collagen triple helix and the collagen fibril. To obtain the physical parameters governing mass transport in the tendon fiber we performed direct numerical simulations of fluid flow and solute transport through an idealized fibrillar microstructure. At the continuum scale, we developed a mixture theory approach for modeling the coupled processes of mechanical deformation, transport, and species inter-conversion involved in growth. In the mixture theory approach, the microstructure of the tissue is represented by the species concentration and transport and material parameters, obtained from fibril and molecular scale calculations, while the mechanical deformation, transport, and growth processes are governed by balance laws and constitutive relations developed within a thermodynamically consistent framework.

  7. Pyridoxamine is a substrate of the energy-coupling factor transporter HmpT

    PubMed Central

    Wang, Tingliang; de Jesus, Armando Jerome; Shi, Yigong; Yin, Hang

    2015-01-01

    Energy-coupling factor (ECF) transporters belong to a novel family of proteins that forms a subset within the ATP-binding cassette (ABC) transporter family. These proteins are responsible for the uptake of micronutrients in bacteria. ECF transporters are composed of four proteins: the A- and A′-components, the T-component and the S-component. One of the ECF transporters, named HmpT, was crystallized in the apo form with all four components. It is currently unknown whether HmpT serves as a transporter for hydroxymethyl pyrimidine or the different forms of vitamin B6 (pyridoxine, pyridoxal or pyridoxamine). Using a combination of molecular dynamics (MD) simulations and mass spectrometry, we have identified pyridoxamine to be the preferred substrate of HmpT. Mass spectra show that the mass of the substrate from the HmpT–substrate complex matches that of pyridoxamine. MD simulations likewise indicate that pyridoxamine interacts most strongly with most of the conserved residues of the S-component (Glu 41, His 84 and Gln 43) compared with the other vitamin B6 forms. Furthermore, the simulations have implied that loops 1 and 5 of the S-component can participate in the gating action for HmpT. PMID:27462413

  8. Operator-splitting errors in coupled reactive transport codes for flow and transport under atmospheric boundary conditions or layered soil profiles

    Technology Transfer Automated Retrieval System (TEKTRAN)

    One possible way of integrating subsurface flow and transport processes with (bio)geochemical reactions is to couple by means of an operator-splitting approach two completely separate codes, one for variably-saturated flow and solute transport and one for equilibrium and kinetic biogeochemical react...

  9. Ion and water transport in charge-modified graphene nanopores

    NASA Astrophysics Data System (ADS)

    Qiu, Ying-Hua; Li, Kun; Chen, Wei-Yu; Si, Wei; Tan, Qi-Yan; Chen, Yun-Fei

    2015-10-01

    Porous graphene has a high mechanical strength and an atomic-layer thickness that makes it a promising material for material separation and biomolecule sensing. Electrostatic interactions between charges in aqueous solutions are a type of strong long-range interaction that may greatly influence fluid transport through nanopores. In this study, molecular dynamic simulations were conducted to investigate ion and water transport through 1.05-nm diameter monolayer graphene nanopores, with their edges charge-modified. Our results indicated that these nanopores are selective to counterions when they are charged. As the charge amount increases, the total ionic currents show an increase-decrease profile while the co-ion currents monotonically decrease. The co-ion rejection can reach 76.5% and 90.2% when the nanopores are negatively and positively charged, respectively. The Cl- ion current increases and reaches a plateau, and the Na+ current decreases as the charge amount increases in systems in which Na+ ions act as counterions. In addition, charge modification can enhance water transport through nanopores. This is mainly due to the ion selectivity of the nanopores. Notably, positive charges on the pore edges facilitate water transport much more strongly than negative charges. Project supported by the National Basic Research Program of China (Grant Nos. 2011CB707601 and 2011CB707605), the National Natural Science Foundation of China (Grant No. 50925519), the Fundamental Research Funds for the Central Universities, Funding of Jiangsu Provincial Innovation Program for Graduate Education, China (Grant No. CXZZ13_0087), and the Scientific Research Foundation of Graduate School of Southeast University (Grant No. YBJJ 1322).

  10. A faster numerical scheme for a coupled system modeling soil erosion and sediment transport

    NASA Astrophysics Data System (ADS)

    Le, M.-H.; Cordier, S.; Lucas, C.; Cerdan, O.

    2015-02-01

    Overland flow and soil erosion play an essential role in water quality and soil degradation. Such processes, involving the interactions between water flow and the bed sediment, are classically described by a well-established system coupling the shallow water equations and the Hairsine-Rose model. Numerical approximation of this coupled system requires advanced methods to preserve some important physical and mathematical properties; in particular, the steady states and the positivity of both water depth and sediment concentration. Recently, finite volume schemes based on Roe's solver have been proposed by Heng et al. (2009) and Kim et al. (2013) for one and two-dimensional problems. In their approach, an additional and artificial restriction on the time step is required to guarantee the positivity of sediment concentration. This artificial condition can lead the computation to be costly when dealing with very shallow flow and wet/dry fronts. The main result of this paper is to propose a new and faster scheme for which only the CFL condition of the shallow water equations is sufficient to preserve the positivity of sediment concentration. In addition, the numerical procedure of the erosion part can be used with any well-balanced and positivity preserving scheme of the shallow water equations. The proposed method is tested on classical benchmarks and also on a realistic configuration.

  11. Coupled Reactive Transport Modeling of CO2 Injection in Mt. Simon Sandstone Formation, Midwest USA

    NASA Astrophysics Data System (ADS)

    Liu, F.; Lu, P.; Zhu, C.; Xiao, Y.

    2009-12-01

    CO2 sequestration in deep geological formations is one of the promising options for CO2 emission reduction. While several large scale CO2 injections in saline aquifers have shown to be successful for the short-term, there is still a lack of fundamental understanding on key issues such as CO2 storage capacity, injectivity, and security over multiple spatial and temporal scales that need to be addressed. To advance these understandings, we applied multi-phase coupled reactive mass transport modeling to investigate the fate of injected CO2 and reservoir responses to the injection into Mt. Simon Formation. We developed both 1-D and 2-D reactive transport models in a radial region of 10,000 m surrounding a CO2 injection well to represent the Mt. Simon sandstone formation, which is a major regional deep saline reservoir in the Midwest, USA. Supercritical CO2 is injected into the formation for 100 years, and the modeling continues till 10,000 years to monitor both short-term and long-term behavior of injected CO2 and the associated rock-fluid interactions. CO2 co-injection with H2S and SO2 is also simulated to represent the flue gases from coal gasification and combustion in the Illinois Basin. The injection of CO2 results in acidified zones (pH ~3 and 5) adjacent to the wellbore, causing progressive water-rock interactions in the surrounding region. In accordance with the extensive dissolution of authigenic K-feldspar, sequential precipitations of secondary carbonates and clay minerals are predicted in this zone. The vertical profiles of CO2 show fingering pattern from the top of the reservoir to the bottom due to the density variation of CO2-impregnated brine, which facilitate convection induced mixing and solubility trapping. Most of the injected CO2 remains within a radial distance of 2500 m at the end of 10,000 years and is sequestered and immobilized by solubility and residual trapping. Mineral trapping via secondary carbonates, including calcite, magnesite

  12. Spin-orbit coupling, electron transport and pairing instabilities in two-dimensional square structures

    NASA Astrophysics Data System (ADS)

    Kocharian, Armen N.; Fernando, Gayanath W.; Fang, Kun; Palandage, Kalum; Balatsky, Alexander V.

    2016-05-01

    Rashba spin-orbit effects and electron correlations in the two-dimensional cylindrical lattices of square geometries are assessed using mesoscopic two-, three- and four-leg ladder structures. Here the electron transport properties are systematically calculated by including the spin-orbit coupling in tight binding and Hubbard models threaded by a magnetic flux. These results highlight important aspects of possible symmetry breaking mechanisms in square ladder geometries driven by the combined effect of a magnetic gauge field spin-orbit interaction and temperature. The observed persistent current, spin and charge polarizations in the presence of spin-orbit coupling are driven by separation of electron and hole charges and opposite spins in real-space. The modeled spin-flip processes on the pairing mechanism induced by the spin-orbit coupling in assembled nanostructures (as arrays of clusters) engineered in various two-dimensional multi-leg structures provide an ideal playground for understanding spatial charge and spin density inhomogeneities leading to electron pairing and spontaneous phase separation instabilities in unconventional superconductors. Such studies also fall under the scope of current challenging problems in superconductivity and magnetism, topological insulators and spin dependent transport associated with numerous interfaces and heterostructures.

  13. Use of boundary fluxes when simulating solute transport with the MODFLOW ground-water transport process

    USGS Publications Warehouse

    Konikow, L.F.; Hornberger, G.Z.

    2003-01-01

    This report describes modifications to a U.S. Geological Survey (USGS) threedimensional solute-transport model (MODFLOWGWT), which is incorporated into the USGS MODFLOW ground-water model as the Ground- Water Transport (GWT) Process. The modifications improve the capability of MODFLOW-GWT to accurately simulate solute transport in simulations that represent a nonzero flux across an aquifer boundary. In such situations, the new Boundary Flux Package (BFLX) will allow the user flexibility to assign the flux to specific cell faces, although that flexibility is limited for certain types of fluxes (such as recharge and evapotranspiration, which can only be assigned to the top face if either is to be represented as a boundary flux). The approach is consistent with that used in the MODPATH model. The application of the BFLX Package was illustrated using a test case in which the Lake Package was active. The results using the BFLX Package showed noticeably higher magnitudes of velocity in the cells adjacent to the lake than previous results without the BFLX Package. Consequently, solute was transported slightly faster through the lake-aquifer system when the BFLX Package is active. However, the overall solute distributions did not differ greatly from simulations made without using the BFLX Package.

  14. Structures of a Na+-coupled, substrate-bound MATE multidrug transporter.

    PubMed

    Lu, Min; Symersky, Jindrich; Radchenko, Martha; Koide, Akiko; Guo, Yi; Nie, Rongxin; Koide, Shohei

    2013-02-01

    Multidrug transporters belonging to the multidrug and toxic compound extrusion (MATE) family expel dissimilar lipophilic and cationic drugs across cell membranes by dissipating a preexisting Na(+) or H(+) gradient. Despite its clinical relevance, the transport mechanism of MATE proteins remains poorly understood, largely owing to a lack of structural information on the substrate-bound transporter. Here we report crystal structures of a Na(+)-coupled MATE transporter NorM from Neisseria gonorrheae in complexes with three distinct translocation substrates (ethidium, rhodamine 6G, and tetraphenylphosphonium), as well as Cs(+) (a Na(+) congener), all captured in extracellular-facing and drug-bound states. The structures revealed a multidrug-binding cavity festooned with four negatively charged amino acids and surprisingly limited hydrophobic moieties, in stark contrast to the general belief that aromatic amino acids play a prominent role in multidrug recognition. Furthermore, we discovered an uncommon cation-π interaction in the Na(+)-binding site located outside the drug-binding cavity and validated the biological relevance of both the substrate- and cation-binding sites by conducting drug resistance and transport assays. Additionally, we uncovered potential rearrangement of at least two transmembrane helices upon Na(+)-induced drug export. Based on our structural and functional analyses, we suggest that Na(+) triggers multidrug extrusion by inducing protein conformational changes rather than by directly competing for the substrate-binding amino acids. This scenario is distinct from the canonical antiport mechanism, in which both substrate and counterion compete for a shared binding site in the transporter. Collectively, our findings provide an important step toward a detailed and mechanistic understanding of multidrug transport. PMID:23341609

  15. Formation and transport of deethylatrazine and deisopropylatrazine in surface water

    USGS Publications Warehouse

    Thurman, E.M.; Meyer, M.T.; Mills, M.S.; Zimmerman, L.R.; Perry, C.A.; Goolsby, D.A.

    1994-01-01

    Field disappearance studies and a regional study of nine rivers in the Midwest Corn Belt show that deethylatrazine (DEA; 2-amino-4-chloro-6-isopropylamino-s-triazine) and deisopropylatrazine (DIA; 2-amino-4-chloro-6-ethylaminos-triazine) occur frequently in surface water that has received runoff from two parent triazine herbicides, atrazine (2-chloro-4-ethylamino-6-isopropylamino-s-triazine) and cyanazine (2-chloro-4-ethylamino-6-methylpropionitrileamino-s-triazine). The concentration of DEA and DIA in surface water varies with the hydrologic conditions of the basin and the timing of runoff, with maximum concentrations reaching 5 ??g/L (DEA + DIA). Early rainfall followed by a dry summer will result in an early peak concentration of metabolites in surface water. A wet summer will delay the maximum concentrations of metabolites and increase their runoff into surface water, occasionally resulting in a slight separation of the parent atrazine maximum concentrations from the metabolite maximum concentrations, giving a "second flush?? of triazine metabolites to surface water. Replicated field dissipation studies of atrazine and cyanazine indicate that DIA/DEA ratios will vary from 0.4 ?? 0.1 when atrazine is the major triazine present to 0.6 ?? 0.1 when significant amounts of cyanazine are present. A comparison of transport time of DEA and DIA from field plots to their appearance in surface water indicates that storage and dilution are occurring in the alluvial aquifers of the basin.

  16. 41 CFR 302-10.5 - May I transport a mobile home over water?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 41 Public Contracts and Property Management 4 2013-07-01 2012-07-01 true May I transport a mobile home over water? 302-10.5 Section 302-10.5 Public Contracts and Property Management Federal Travel... transport a mobile home over water? Yes, you may transport a mobile home over water when both the points...

  17. 41 CFR 302-10.5 - May I transport a mobile home over water?

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 41 Public Contracts and Property Management 4 2014-07-01 2014-07-01 false May I transport a mobile home over water? 302-10.5 Section 302-10.5 Public Contracts and Property Management Federal Travel... transport a mobile home over water? Yes, you may transport a mobile home over water when both the points...

  18. 41 CFR 302-10.5 - May I transport a mobile home over water?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 41 Public Contracts and Property Management 4 2010-07-01 2010-07-01 false May I transport a mobile home over water? 302-10.5 Section 302-10.5 Public Contracts and Property Management Federal Travel... transport a mobile home over water? Yes, you may transport a mobile home over water when both the points...

  19. A large-scale methane model by incorporating the surface water transport

    NASA Astrophysics Data System (ADS)

    Lu, Xiaoliang; Zhuang, Qianlai; Liu, Yaling; Zhou, Yuyu; Aghakouchak, Amir

    2016-06-01

    The effect of surface water movement on methane emissions is not explicitly considered in most of the current methane models. In this study, a surface water routing was coupled into our previously developed large-scale methane model. The revised methane model was then used to simulate global methane emissions during 2006-2010. From our simulations, the global mean annual maximum inundation extent is 10.6 ± 1.9 km2 and the methane emission is 297 ± 11 Tg C/yr in the study period. In comparison to the currently used TOPMODEL-based approach, we found that the incorporation of surface water routing leads to 24.7% increase in the annual maximum inundation extent and 30.8% increase in the methane emissions at the global scale for the study period, respectively. The effect of surface water transport on methane emissions varies in different regions: (1) the largest difference occurs in flat and moist regions, such as Eastern China; (2) high-latitude regions, hot spots in methane emissions, show a small increase in both inundation extent and methane emissions with the consideration of surface water movement; and (3) in arid regions, the new model yields significantly larger maximum flooded areas and a relatively small increase in the methane emissions. Although surface water is a small component in the terrestrial water balance, it plays an important role in determining inundation extent and methane emissions, especially in flat regions. This study indicates that future quantification of methane emissions shall consider the effects of surface water transport.

  20. Models of Fate and Transport of Pollutants in Surface Waters

    NASA Astrophysics Data System (ADS)

    Okome, Gloria Eloho

    There is the need to answer very crucial questions of "what happens to pollutants in surface waters?" This question must be answered to determine the factors controlling fate and transport of chemicals and their evolutionary state in surface waters. Monitoring and experimental methods are used in establishing the environmental states. These measurements are used with the known scientific principles to identify processes and to estimate the future environmental conditions. Conceptual and computational models are needed to analyze environmental processes by applying the knowledge gained from experimentation and theory. Usually, a computational framework includes the mathematics and the physics of the phenomenon, and the measured characteristics to model pollutants interactions and transport in surface water. However, under certain conditions, the complexity of the situation in the actual environment precludes the utilization of these techniques. Pollutants in several forms: Nitrogen (Nitrate, Nitrite, Kjeldhal Nitrogen and Ammonia), Phosphorus (orthophosphate and total phosphorus), bacteria (E-coli and Fecal coliform), Salts (Chloride and Sulfate) are chosen to follow for this research. The objective of this research is to model the fate and transport of these pollutants in non-ideal conditions of surface water measurements and to develop computational methods to forecast their fate and transport. In an environment of extreme drought such as in the Brazos River basin, where small streams flow intermittently, there is added complexity due to the absence of regularly sampled data. The usual modeling techniques are no longer applicable because of sparse measurements in space and time. Still, there is a need to estimate the conditions of the environment from the information that is present. Alternative methods for this estimation must be devised and applied to this situation, which is the task of this dissertation. This research devices a forecasting technique that is

  1. Relevance of the time-quasi-polynomials in the classic linear thermodynamic theory of coupled transport processes

    NASA Astrophysics Data System (ADS)

    Mészáros, Cs.; Kirschner, I.; Bálint, Á.

    2014-07-01

    A general description of the basic system of ordinary differential equations of coupled transport processes is given within framework of a linear approximation and treated by tools of matrix analysis and group representation theory. It is shown that the technique of hyperdyads directly generalizes the method of simple dyadic decomposition of operators used earlier in the classical linear irreversible thermodynamics and leads to possible new applications of the concept of quasi-polynomials at descriptions of coupled transport processes.

  2. Localization and spin transport in honeycomb structures with spin-orbit coupling

    NASA Astrophysics Data System (ADS)

    de Queiroz, S. L. A.

    2015-11-01

    Transfer-matrix methods are used for a tight-binding description of electron transport in graphenelike geometries in the presence of spin-orbit couplings. Application of finite-size scaling and phenomenological renormalization techniques shows that, for strong enough spin-orbit interactions and increasing on-site disorder, this system undergoes a metal-insulator transition characterized by the exponents ν =2.71 (8 ) , η =0.174 (2 ) . We show how one can extract information regarding spin polarization decay with distance from an injection edge, from the evolution of wave-function amplitudes in the transfer-matrix approach. For (relatively weak) spin-orbit coupling intensity μ , we obtain that the characteristic length Λs for spin-polarization decay behaves as Λs∝μ-2 .

  3. Anomalous Interlayer Transport of Quantum Hall Bilayers in the Strongly Josephson-Coupled Regime

    NASA Astrophysics Data System (ADS)

    Zhang, Ding; Dietsche, Werner; von Klitzing, Klaus

    2016-05-01

    We investigate Josephson coupling in a closely spaced quantum Hall bilayer. Reduction of the interlayer barrier from the widely used values of 10-12 nm to the present one of 8 nm leads to qualitatively different interlayer transport properties. The breakdown of interlayer coherence can be spatially confined in regions that are smaller than the device size. Such a spatial inhomogeneity depends crucially on the Josephson-coupling strength and can be removed by adding an in-plane magnetic field of about 0.5 T. At higher in-plane fields, the interlayer tunneling I -V curve develops unexpected overshoot features. These results challenge current theoretical understanding and suggest that our bilayer system has entered a previously unexplored regime.

  4. Coupled Aerodynamic and Structural Sensitivity Analysis of a High-Speed Civil Transport

    NASA Technical Reports Server (NTRS)

    Mason, B. H.; Walsh, J. L.

    2001-01-01

    An objective of the High Performance Computing and Communication Program at the NASA Langley Research Center is to demonstrate multidisciplinary shape and sizing optimization of a complete aerospace vehicle configuration by using high-fidelity, finite-element structural analysis and computational fluid dynamics aerodynamic analysis. In a previous study, a multi-disciplinary analysis system for a high-speed civil transport was formulated to integrate a set of existing discipline analysis codes, some of them computationally intensive, This paper is an extension of the previous study, in which the sensitivity analysis for the coupled aerodynamic and structural analysis problem is formulated and implemented. Uncoupled stress sensitivities computed with a constant load vector in a commercial finite element analysis code are compared to coupled aeroelastic sensitivities computed by finite differences. The computational expense of these sensitivity calculation methods is discussed.

  5. Water Transport and the Evolution of CM Parent Bodies

    NASA Technical Reports Server (NTRS)

    Coker, R.; Cohen, B.

    2014-01-01

    Extraterrestrial water-bearing minerals are of great importance both for understanding the formation and evolution of the solar system and for supporting future human activities in space. Asteroids are the primary source of meteorites, many of which show evidence of an early heating episode and varying degrees of aqueous alteration. The origin and characterization of hydrated minerals (minerals containing H2O or OH) among both the main-belt and near-earth asteroids is important for understanding a wide range of solar system formation and evolutionary processes, as well as for planning for human exploration. Current hypotheses postulate asteroids began as mixtures of water ice and anhydrous silicates. A heating event early in solar system history was then responsible for melting the ice and driving aqueous alteration. The link between asteroids and meteorites is forged by reflectance spectra, which show 3-µm bands indicative of bound OH or H2O on the C-class asteroids, which are believed to be the parent bodies of the carbonaceous chondrites in our collections. The conditions at which aqueous alteration occurred in the parent bodies of carbonaceous chondrites are thought to be well-constrained: at 0-25 C for less than 15 Myr after asteroid formation. In previous models, many scenarios exhibit peak temperatures of the rock and co-existing liquid water in more than 75 percent of the asteroid's volume rising to 150 C and higher, due to the exothermic hydration reactions triggering a thermal runaway effect. However, even in a high porosity, water-saturated asteroid very limited liquid water flow is predicted (distances of 100's nm at most). This contradiction has yet to be resolved. Still, it may be possible for water to become liquid even in the near-surface environment, for a long enough time to drive aqueous alteration before vaporizing or freezing then subliming. Thus, we are using physics- and chemistry-based models that include thermal and fluid transport as well

  6. Hormonal regulation of ion and water transport in anuran amphibians.

    PubMed

    Uchiyama, Minoru; Konno, Norifumi

    2006-05-15

    Amphibians occupy a wide variety of ecological habitats, and their adaptation is made possible through the specialization of the epithelia of their osmoregulatory organs, such as the skin, kidney, and urinary bladder, which control the hydromineral and acid-base balance of their internal medium. Amphibians can change drastically plasma Na+, Cl-, and urea levels and excretion rates in response to environmental stimuli such as acute desiccation and changes in external salinity. Several hormones and the autonomic nervous system act to control osmoregulation. Several ion channels including an epithelial sodium channel (ENaC), a urea transporter (UT), and water channels (AQPs) are found in epithelial tissues of their osmoregulatory organs. This mini review examines the currents status of our knowledge about hormone receptors for arginine vasotocin, angiotensin II and aldosterone, and membrane ion channels and transporters, such as ENaC, UT, and AQPs in amphibians. PMID:16472810

  7. Virus fate and transport during artificial recharge with recycled water

    NASA Astrophysics Data System (ADS)

    Anders, Robert; Chrysikopoulos, C. V.

    2005-10-01

    A field-scale experiment was conducted at a research site using bacterial viruses (bacteriophage) MS2 and PRD1 as surrogates for human viruses, bromide as a conservative tracer, and tertiary-treated municipal wastewater (recycled water) to investigate the fate and transport of viruses during artificial recharge. Observed virus concentrations were fitted using a mathematical model that simulates virus transport in one-dimensional, homogeneous, water-saturated porous media accounting for virus sorption (or filtration), virus inactivation, and time-dependent source concentration. The fitted time-dependent clogging rate constants were used to estimate the collision efficiencies for bacteriophage MS2 and PRD1 during vertical fully saturated flow. Furthermore, the corresponding time-dependent collision efficiencies for both bacteriophage asymptotically reached similar values at the various sampling locations. These results can be used to develop an optimal management scenario to maximize the amount of recycled water that can be applied to the spreading grounds while still maintaining favorable attachment conditions for virus removal.

  8. Virus fate and transport during artificial recharge with recycled water

    USGS Publications Warehouse

    Anders, R.; Chrysikopoulos, C.V.

    2005-01-01

    [1] A field-scale experiment was conducted at a research site using bacterial viruses (bacteriophage) MS2 and PRD1 as surrogates for human viruses, bromide as a conservative tracer, and tertiary-treated municipal wastewater (recycled water) to investigate the fate and transport of viruses during artificial recharge. Observed virus concentrations were fitted using a mathematical model that simulates virus transport in one-dimensional, homogeneous, water-saturated porous media accounting for virus sorption (or filtration), virus inactivation, and time-dependent source concentration. The fitted time-dependent clogging rate constants were used to estimate the collision efficiencies for bacteriophage MS2 and PRD1 during vertical fully saturated flow. Furthermore, the corresponding time-dependent collision efficiencies for both bacteriophage asymptotically reached similar values at the various sampling locations. These results can be used to develop an optimal management scenario to maximize the amount of recycled water that can be applied to the spreading grounds while still maintaining favorable attachment conditions for virus removal. Copyright 2005 by the American Geophysical Union.

  9. The efficiency of membrane transport of vitamin B6 coupled to poly(ester amine) gene transporter and transfection in cancer cells.

    PubMed

    Pandey, Shambhavi; Garg, Pankaj; Lim, Ki Taek; Kim, Jangho; Choung, Yun-Hoon; Choi, Yun-Jaie; Choung, Pill-Hoon; Cho, Chong-Su; Chung, Jong Hoon

    2013-05-01

    Vitamin B6 (VB6) plays an essential role as a coenzyme in various cellular metabolic functions, including DNA biosynthesis for cellular growth and proliferation. VB6 is taken up by cells through facilitated diffusion via VB6 transporting membrane carrier (VTC). In this study, we demonstrated that the VB6-coupled poly(ester amine) (VBPEA) gene transporter utilizes this uptake mechanism, leading to enhanced vector transport inside the rapidly proliferating cancer cells with relatively high affinity. Physicochemical characterization, cell viability assays, and transfection studies showed VBPEA to meet the standards of a good transfection agent. Competitive inhibition of VBPEA uptake by its structural analog 4'-deoxypyridoxine hydrochloride revealed the involvement of VB6 specific transporting membrane carrier in VBPEA internalization in tumor cells. VBPEA elicit higher transfection levels in lung cancer cells than in normal lung cells, indicating that cancer cells which have a high demand for VB6, have a higher affinity for VB6-coupled vector. VB6 coupling to the gene transporter is important to enforce a high level of VTC-mediated endocytosis compared to VB6 alone. This system illustrated how understanding of the VB6 membrane transporter specificity allowed for the design of a VB6-coupled gene transporter with accelerated transfection activity in cancer cells owing to an advanced mode of internalization. PMID:23425622

  10. Plasmon decay and thermal transport from spin-charge coupling in generic Luttinger liquids.

    PubMed

    Levchenko, Alex

    2014-11-01

    We discuss the violation of spin-charge separation in generic nonlinear Luttinger liquids and investigate its effect on the relaxation and thermal transport of genuine spin-1/2 electron liquids in ballistic quantum wires. We identify basic scattering processes compatible with the symmetry of the problem and conservation laws that lead to the decay of plasmons into the spin modes. We derive a closed set of coupled kinetic equations for the spin-charge excitations and solve the problem of thermal conductance of interacting electrons for an arbitrary relation between the quantum wire length and spin-charge thermalization length. PMID:25415912

  11. Plasmon Decay and Thermal Transport from Spin-Charge Coupling in Generic Luttinger Liquids

    NASA Astrophysics Data System (ADS)

    Levchenko, Alex

    2014-11-01

    We discuss the violation of spin-charge separation in generic nonlinear Luttinger liquids and investigate its effect on the relaxation and thermal transport of genuine spin-1 /2 electron liquids in ballistic quantum wires. We identify basic scattering processes compatible with the symmetry of the problem and conservation laws that lead to the decay of plasmons into the spin modes. We derive a closed set of coupled kinetic equations for the spin-charge excitations and solve the problem of thermal conductance of interacting electrons for an arbitrary relation between the quantum wire length and spin-charge thermalization length.

  12. Method and apparatus for measuring coupled flow, transport, and reaction processes under liquid unsaturated flow conditions

    DOEpatents

    McGrail, Bernard P.; Martin, Paul F.; Lindenmeier, Clark W.

    1999-01-01

    The present invention is a method and apparatus for measuring coupled flow, transport and reaction processes under liquid unsaturated flow conditions. The method and apparatus of the present invention permit distinguishing individual precipitation events and their effect on dissolution behavior isolated to the specific event. The present invention is especially useful for dynamically measuring hydraulic parameters when a chemical reaction occurs between a particulate material and either liquid or gas (e.g. air) or both, causing precipitation that changes the pore structure of the test material.

  13. Quantum transport of Dirac fermions in graphene with a spatially varying Rashba spin-orbit coupling

    NASA Astrophysics Data System (ADS)

    Razzaghi, Leila; Hosseini, Mir Vahid

    2015-08-01

    We theoretically study electronic transport through a region with inhomogeneous Rashba spin-orbit (RSO) coupling placed between two normal regions in a monolayer graphene. The inhomogeneous RSO region is characterized by linearly varying RSO strength within its borders and constant RSO strength in the central region. We calculate the transmission properties within the transfer matrix approach. It is shown that the amplitude of conductance oscillations reduces and at the same time the magnitude of conductance increases with increasing border thickness. We also investigate how the Fano factor can be modified by the border thickness of RSO region.

  14. Parallel processing implementation for the coupled transport of photons and electrons using OpenMP

    NASA Astrophysics Data System (ADS)

    Doerner, Edgardo

    2016-05-01

    In this work the use of OpenMP to implement the parallel processing of the Monte Carlo (MC) simulation of the coupled transport for photons and electrons is presented. This implementation was carried out using a modified EGSnrc platform which enables the use of the Microsoft Visual Studio 2013 (VS2013) environment, together with the developing tools available in the Intel Parallel Studio XE 2015 (XE2015). The performance study of this new implementation was carried out in a desktop PC with a multi-core CPU, taking as a reference the performance of the original platform. The results were satisfactory, both in terms of scalability as parallelization efficiency.

  15. A quasi-classical mapping approach to vibrationally coupled electron transport in molecular junctions

    SciTech Connect

    Li, Bin; Miller, William H.; Wilner, Eli Y.; Thoss, Michael

    2014-03-14

    We develop a classical mapping approach suitable to describe vibrationally coupled charge transport in molecular junctions based on the Cartesian mapping for many-electron systems [B. Li and W. H. Miller, J. Chem. Phys. 137, 154107 (2012)]. To properly describe vibrational quantum effects in the transport characteristics, we introduce a simple transformation rewriting the Hamiltonian in terms of occupation numbers and use a binning function to facilitate quantization. The approach provides accurate results for the nonequilibrium Holstein model for a range of bias voltages, vibrational frequencies, and temperatures. It also captures the hallmarks of vibrational quantum effects apparent in step-like structure in the current-voltage characteristics at low temperatures as well as the phenomenon of Franck-Condon blockade.

  16. Spherical Harmonic Expansion Method for Coupled Electron-Phonon Boltzmann Transport

    NASA Astrophysics Data System (ADS)

    Santia, Marco; Albrecht, John

    2014-03-01

    Thermoelectric transport modeling often relies on independent Boltzmann transport equations (BTEs) for electrons and phonons which work best near equilibrium (linearized) and steady-state. Device design relies heavily on this baseline approximation. Monte Carlo methods can allow for complex physical interactions (e.g., anharmonicity) but their stochastic nature has practical limits. Distribution functions with wide disparities in population (e.g., ratios >108 between majority and minority carriers.[1]) are a computational challenge. We present a coupled BTE solver based on a k-space spherical harmonic expansion (SHE) of the distribution functions and eigenstates of electrons and phonons. The method is deterministic and allows for detailed treatments of scattering processes, yet ameliorates the issues with population disparity within phase space. We set the formalism and examine the accuracy of the SHE for phonon band structures, calculate scattering rates determined within that representation, and compare our preliminary results for distribution statistics in control examples such as thermal conductivity and drift velocity.

  17. Interstitial Fibrosis Restricts Osmotic Water Transport in Encapsulating Peritoneal Sclerosis.

    PubMed

    Morelle, Johann; Sow, Amadou; Hautem, Nicolas; Bouzin, Caroline; Crott, Ralph; Devuyst, Olivier; Goffin, Eric

    2015-10-01

    Encapsulating peritoneal sclerosis (EPS) is a rare but severe complication of peritoneal dialysis (PD) characterized by extensive fibrosis of the peritoneum. Changes in peritoneal water transport may precede EPS, but the mechanisms and potential predictive value of that transport defect are unknown. Among 234 patients with ESRD who initiated PD at our institution over a 20-year period, 7 subsequently developed EPS. We evaluated changes in peritoneal transport over time on PD in these 7 patients and in 28 matched controls using 3.86% glucose peritoneal equilibration tests. Compared with long-term PD controls, patients with EPS showed early loss of ultrafiltration capacity and sodium sieving before the onset of overt EPS. Multivariate analysis revealed that loss of sodium sieving was the most powerful predictor of EPS. Compared with long-term PD control and uremic peritoneum, EPS peritoneum showed thicker submesothelial fibrosis, with increased collagen density and a greater amount of thick collagen fibers. Reduced osmotic conductance strongly correlated with the degree of peritoneal fibrosis, but not with vasculopathy. Peritoneal fibrosis was paralleled by an excessive upregulation of vascular endothelial growth factor and endothelial nitric oxide synthase, but the expression of endothelial aquaporin-1 water channels was unaltered. Our findings suggest that an early and disproportionate reduction in osmotic conductance during the course of PD is an independent predictor of EPS. This functional change is linked to specific alterations of the collagen matrix in the peritoneal membrane of patients with EPS, thereby validating the serial three-pore membrane/fiber matrix and distributed models of peritoneal transport. PMID:25636412

  18. Water flow and solute transport in floating fen root mats

    NASA Astrophysics Data System (ADS)

    Stofberg, Sija F.; EATM van der Zee, Sjoerd

    2015-04-01

    be very similar and likely functionally related. Our experimental field data were used for modelling water flow and solute transport in floating fens, using HYDRUS 2D. Fluctuations of surface water and root mat, as well as geometry and unsaturated zone parameters can have a major influence on groundwater fluctuations and the exchange between rain and surface water and the water in the root mats. In combination with the duration of salt pulses in surface water, and sensitivity of fen plants to salinity (Stofberg et al. 2014, submitted), risks for rare plants can be anticipated.

  19. A Synchronous and Iterative Flux-Correction Formalism for Coupled Transport Equations

    NASA Astrophysics Data System (ADS)

    Schär, Christoph; Smolarkiewicz, Piotr K.

    1996-10-01

    Many problems of fluid dynamics involve the coupled transport of several, density-like, dependent variables (for instance, densities of mass and momenta in elastic flows). In this paper, a conservative and synchronous flux-corrected transport (FCT) formalism is developed which aims at a consistent transport of such variables. The technique differs from traditional FCT algorithms in two respects. First, the limiting of transportive fluxes of the primary variables (e.g., mass and momentum) does not derive from smooth estimates of the variables, but it derives from analytic constraints implied by the Lagrangian form of the governing continuity equations, which are imposed on the specific mixing ratios of the variables (e.g., velocity components). Second, the traditional FCT limiting based on sufficiency conditions is augmented by an iterative procedure which approaches the necessity requirements. This procedure can also be used in the framework of traditional FCT schemes, and a demonstration is provided that it can significantly reduce some of the pathological behaviors of FCT algorithms. Although the approach derived is applicable to the transport of arbitrary conserved quantities, it is particularly useful for the synchronous transport of mass and momenta in elastic flows, where it assures intrinsic stability of the algorithm regardless of the magnitude of the mass-density variable. This latter property becomes especially important in fluids with large density variations, or in models with a material "vertical" coordinate (e.g., geophysical hydrostatic stratified flows in isopycnic/isentropic coordinates), where material surfaces can collapse to zero-mass layers admitting, therefore, arbitrarily large local Courant numbers.

  20. Aluminum in acidic surface waters: chemistry, transport, and effects.

    PubMed Central

    Driscoll, C T

    1985-01-01

    Ecologically significant concentrations of Al have been reported in surface waters draining "acid-sensitive" watersheds that are receiving elevated inputs of acidic deposition. It has been hypothesized that mineral acids from atmospheric deposition have remobilized Al previously precipitated within the soil during soil development. This Al is then thought to be transported to adjacent surface waters. Dissolved mononuclear Al occurs as aquo Al, as well as OH-, F-, SO4(2-), and organic complexes. Although past investigations have often ignored non-hydroxide complexes of Al, it appears that organic and F complexes are the predominant forms of Al in dilute (low ionic strength) acidic surface waters. The concentration of inorganic forms of Al increases exponentially with decreases in solution pH. This response is similar to the theoretical pH dependent solubility of Al mineral phases. The concentration of organic forms of Al, however, is strongly correlated with variations in organic carbon concentration of surface waters rather than pH. Elevated concentrations of Al in dilute acidic waters are of interest because: Al is an important pH buffer; Al may influence the cycling of important elements like P, organic carbon, and trace metals; and Al is potentially toxic to aquatic organisms. An understanding of the aqueous speciation of Al is essential for an evaluation of these processes. PMID:3935428

  1. Role of inter-tube coupling and quantum interference on electrical transport in carbon nanotube junctions

    NASA Astrophysics Data System (ADS)

    Tripathy, Srijeet; Bhattacharyya, Tarun Kanti

    2016-09-01

    Due to excellent transport properties, Carbon nanotubes (CNTs) show a lot of promise in sensor and interconnect technology. However, recent studies indicate that the conductance in CNT/CNT junctions are strongly affected by the morphology and orientation between the tubes. For proper utilization of such junctions in the development of CNT based technology, it is essential to study the electronic properties of such junctions. This work presents a theoretical study of the electrical transport properties of metallic Carbon nanotube homo-junctions. The study focuses on discerning the role of inter-tube interactions, quantum interference and scattering on the transport properties on junctions between identical tubes. The electronic structure and transport calculations are conducted with an Extended Hückel Theory-Non Equilibrium Green's Function based model. The calculations indicate conductance to be varying with a changing crossing angle, with maximum conductance corresponding to lattice registry, i.e. parallel configuration between the two tubes. Further calculations for such parallel configurations indicate onset of short and long range oscillations in conductance with respect to changing overlap length. These oscillations are attributed to inter-tube coupling effects owing to changing π orbital overlap, carrier scattering and quantum interference of the incident, transmitted and reflected waves at the inter-tube junction.

  2. A Radiation Transport Coupled Particle-In-Cell Model for Hg-Ar Discharges

    NASA Astrophysics Data System (ADS)

    Lee, Hae June; Verboncoeur, J. P.; Smith, H. B.; Parker, G. J.; Birdsall, C. K.

    2000-10-01

    We simulate a radial slice of the fluorescent lamp discharge in the positive column with a radiation transport coupled particle-in-cell (RT-PIC) code. In this model, the radiative and meta stable excited states of Hg-Ar mixture and their collisions as well as radiation transport are simulated by the fluid equations. The motions of electrons and ions and collisions with neutral or excited states are simulated by the conventional particle-in-cell method. We consider radiation transport of excited states using the Holstein equation[1] including the time varying nonuniform background gas density. The background gas density is calculated from the temperature profile by solving the heat transfer equation. The motion of charged particles are simulated by using the 1-D cylindrical particle-in-cell code, XPDC1[2]. Separate time scales are used for the charged particles, the excited states, and the neutral gas, respectively, and parallel processing can be used for the expensive calculation including radiation transport. This work was supported in part by General Electric Company contract GE-20000181. [1] T. Holstein, Phys. Rev. 72, 1213 (1947). [2] J. P. Verboncoeur, M. V. Alves, V. Vahedi, and C. K. Birdsall, Journal of Computational Physics 104(2), 321, (1993).

  3. Coupled effects of solution chemistry and hydrodynamics on the mobility and transport of quantum dot nanomaterials in the Vadose Zone

    Technology Transfer Automated Retrieval System (TEKTRAN)

    To investigate the coupled effects of solution chemistry and vadose zone processes on the mobility of quantum dot (QD) nanoparticles, laboratory scale transport experiments were performed. The complex coupled effects of ionic strength, size of QD aggregates, surface tension, contact angle, infiltrat...

  4. DETERMINATION OF BROMATE IN DRINKING WATERS BY ION CHROMATOGRAPHY WITH INDUCTIVELY COUPLED PLASMA MASS SPECTROMETRIC DETECTION

    EPA Science Inventory

    Bromate is a disinfection by-product in drinking water, formed during the ozonation of source water containing bromide. An inductively coupled plasma mass spectrometer is combined with an ion chromatograph for the analysis of bromate in drinking waters. Three chromatographic colu...

  5. COUPLING

    DOEpatents

    Hawke, B.C.

    1963-02-26

    This patent relates to a releasable coupling connecting a control rod to a control rod drive. This remotely operable coupling mechanism can connect two elements which are laterally and angviarly misaligned, and provides a means for sensing the locked condition of the elements. The coupling utilizes a spherical bayonet joint which is locked against rotation by a ball detent lock. (AEC)

  6. Simulation of Coupled Processes of Flow, Transport, and Storage of CO2 in Saline Aquifers

    SciTech Connect

    Wu, Yu-Shu; Chen, Zizhong; Kazemi, Hossein; Yin, Xiaolong; Pruess, Karsten; Oldenburg, Curt; Winterfeld, Philip; Zhang, Ronglei

    2014-09-30

    the Mandel-Cryer effect. For the latter, we obtained a good match of temperature and gas saturation profiles, and surface uplift, after injection of hot fluid into a model of a caldera structure. In task, “Incorporation of Geochemical Reactions of Selected Important Species,” we developed a novel mathematical model of THMC processes in porous and fractured saline aquifers, simulating geo-chemical reactions associated with CO2 sequestration in saline aquifers. Two computational frameworks, sequentially coupled and fully coupled, were used to simulate the reactions and transport. We verified capabilities of the THMC model to treat complex THMC processes during CO2 sequestration by analytical solutions and we constructed reactive transport models to analyze the THMC process quantitatively. Three of these are 1D reactive transport under chemical equilibrium, a batch reaction model with equilibrium chemical reactions, and a THMC model with CO2 dissolution. In task “Study of Instability in CO2 Dissolution-Diffusion-Convection Processes,” We reviewed literature related to the study of density driven convective flows and on the instability of CO2 dissolution-diffusion-convection processes. We ran simulations that model the density-driven flow instability that would occur during CO2 sequestration. CO2 diffused through the top of the system and dissolved in the aqueous phase there, increasing its density. Density fingers formed along the top boundary, and coalesced into a few prominent ones, causing convective flow that forced the fluid to the system bottom. These simulations were in two and three dimensions. We ran additional simulations of convective mixing with density contrast caused by variable dissolved CO2 concentration in saline water, modeled after laboratory experiments in which supercritical CO2 was circulated in the headspace above a brine saturated packed sand in a pressure vessel. As CO2 dissolved into the upper part of the saturated sand, liquid phase

  7. Coupled effects of hydrodynamic and solution chemistry conditions on long-term nanoparticle transport and deposition in saturated porous media

    Technology Transfer Automated Retrieval System (TEKTRAN)

    This study aims to systematically explore the coupled effects of hydrodynamic and solution chemistry conditions on the long-term transport and deposition kinetics of nanoparticles (NPs) in saturated porous media. Column transport experiments were carried out at various solution ionic strengths (IS),...

  8. Neutron transport with the method of characteristics for 3-D full core boiling water reactor applications

    NASA Astrophysics Data System (ADS)

    Thomas, Justin W.

    2006-12-01

    The Numerical Nuclear Reactor (NNR) is a code suite that is being developed to provide high-fidelity multi-physics capability for the analysis of light water nuclear reactors. The focus of the work here is to extend the capability of the NNR by incorporation of the neutronics module, DeCART, for Boiling Water Reactor (BWR) applications. The DeCART code has been coupled to the NNR fluid mechanics and heat transfer module STAR-CD for light water reactor applications. The coupling has been accomplished via an interface program, which is responsible for mapping the STAR-CD and DeCART meshes, managing communication, and monitoring convergence. DeCART obtains the solution of the 3-D Boltzmann transport equation by performing a series of 2-D modular ray tracing-based method of characteristics problems that are coupled within the framework of 3-D coarse-mesh finite difference. The relatively complex geometry and increased axial heterogeneity found in BWRs are beyond the modeling capability of the original version of DeCART. In this work, DeCART is extended in three primary areas. First, the geometric capability is generalized by extending the modular ray tracing scheme and permitting an unstructured mesh in the global finite difference kernel. Second, numerical instabilities, which arose as a result of the severe axial heterogeneity found in BWR cores, have been resolved. Third, an advanced nodal method has been implemented to improve the accuracy of the axial flux distribution. In this semi-analytic nodal method, the analytic solution to the transverse-integrated neutron diffusion equation is obtained, where the nonhomogeneous neutron source was first approximated by a quartic polynomial. The successful completion of these three tasks has allowed the application of the coupled DeCART/STAR-CD code to practical BWR problems.

  9. Subsurface Transport Over Reactive Multiphases (STORM): A general, coupled, nonisothermal multiphase flow, reactive transport, and porous medium alteration simulator, Version 2 user's guide

    SciTech Connect

    DH Bacon; MD White; BP McGrail

    2000-03-07

    The Hanford Site, in southeastern Washington State, has been used extensively to produce nuclear materials for the US strategic defense arsenal by the Department of Energy (DOE) and its predecessors, the US Atomic Energy Commission and the US Energy Research and Development Administration. A large inventory of radioactive and mixed waste has accumulated in 177 buried single- and double shell tanks. Liquid waste recovered from the tanks will be pretreated to separate the low-activity fraction from the high-level and transuranic wastes. Vitrification is the leading option for immobilization of these wastes, expected to produce approximately 550,000 metric tons of Low Activity Waste (LAW) glass. This total tonnage, based on nominal Na{sub 2}O oxide loading of 20% by weight, is destined for disposal in a near-surface facility. Before disposal of the immobilized waste can proceed, the DOE must approve a performance assessment, a document that described the impacts, if any, of the disposal facility on public health and environmental resources. Studies have shown that release rates of radionuclides from the glass waste form by reaction with water determine the impacts of the disposal action more than any other independent parameter. This report describes the latest accomplishments in the development of a computational tool, Subsurface Transport Over Reactive Multiphases (STORM), Version 2, a general, coupled non-isothermal multiphase flow and reactive transport simulator. The underlying mathematics in STORM describe the rate of change of the solute concentrations of pore water in a variably saturated, non-isothermal porous medium, and the alteration of waste forms, packaging materials, backfill, and host rocks.

  10. Mass-corrections for the conservative coupling of flow and transport on collocated meshes

    NASA Astrophysics Data System (ADS)

    Waluga, Christian; Wohlmuth, Barbara; Rüde, Ulrich

    2016-01-01

    Buoyancy-driven flow models demand a careful treatment of the mass-balance equation to avoid spurious source and sink terms in the non-linear coupling between flow and transport. In the context of finite-elements, it is therefore commonly proposed to employ sufficiently rich pressure spaces, containing piecewise constant shape functions to obtain local or even strong mass-conservation. In three-dimensional computations, this usually requires nonconforming approaches, special meshes or higher order velocities, which make these schemes prohibitively expensive for some applications and complicate the implementation into legacy code. In this paper, we therefore propose a lean and conservatively coupled scheme based on standard stabilized linear equal-order finite elements for the Stokes part and vertex-centered finite volumes for the energy equation. We show that in a weak mass-balance it is possible to recover exact conservation properties by a local flux-correction which can be computed efficiently on the control volume boundaries of the transport mesh. We discuss implementation aspects and demonstrate the effectiveness of the flux-correction by different two- and three-dimensional examples which are motivated by geophysical applications.

  11. Particle Communication and Domain Neighbor Coupling: Scalable Domain Decomposed Algorithms for Monte Carlo Particle Transport

    SciTech Connect

    O'Brien, M. J.; Brantley, P. S.

    2015-01-20

    In order to run Monte Carlo particle transport calculations on new supercomputers with hundreds of thousands or millions of processors, care must be taken to implement scalable algorithms. This means that the algorithms must continue to perform well as the processor count increases. In this paper, we examine the scalability of:(1) globally resolving the particle locations on the correct processor, (2) deciding that particle streaming communication has finished, and (3) efficiently coupling neighbor domains together with different replication levels. We have run domain decomposed Monte Carlo particle transport on up to 221 = 2,097,152 MPI processes on the IBM BG/Q Sequoia supercomputer and observed scalable results that agree with our theoretical predictions. These calculations were carefully constructed to have the same amount of work on every processor, i.e. the calculation is already load balanced. We also examine load imbalanced calculations where each domain’s replication level is proportional to its particle workload. In this case we show how to efficiently couple together adjacent domains to maintain within workgroup load balance and minimize memory usage.

  12. Testing of a benchscale Reverse Osmosis/Coupled Transport system for treating contaminated groundwater

    SciTech Connect

    Hodgson, K.M.; Lunsford, T.R.; Panjabi, G.

    1994-01-01

    The Reverse Osmosis/Coupled Transport process is a innovative means of removing radionuclides from contaminated groundwater at the Hanford Site. Specifically, groundwater in the 200 West Area of the Hanford Site has been contaminated with uranium, technetium, and nitrate. Investigations are proceeding to determine the most cost effective method to remove these contaminants. The process described in this paper combines three different membrane technologies (reverse osmosis, coupled transport, and nanofiltration to purify the groundwater while extracting and concentrating uranium, technetium, and nitrate into separate solutions. This separation allows for the future use of the radionuclides, if needed, and reduces the amount of waste that will need to be disposed of. This process has the potential to concentrate the contaminants into solutions with volumes in a ratio of 1/10,000 of the feed volume. This compares to traditional volume reductions of 10 to 100 for ion exchange and stand-alone reverse osmosis. The successful demonstration of this technology could result in significant savings in the overall cost of decontaminating the groundwater.

  13. MODELING COUPLING OF EEL GRASS ZOSTRA MARINA AND WATER FLOW

    EPA Science Inventory

    Ecological effects caused by submerged aquatic vegetation not only depend on the plants and their morphology but also on the flow and transport patterns of dissolved and suspended constituents near the canopy. The height of the canopy is a major parameter in any quantitative an...

  14. Coupling of WRF and Building-resolved CFD Simulations for Greenhouse Gas Transport and Dispersion

    NASA Astrophysics Data System (ADS)

    Prasad, K.; Hu, H.; McDermott, R.; Lopez-Coto, I.; Davis, K. J.; Whetstone, J. R.; Lauvaux, T.

    2014-12-01

    The Indianapolis Flux Experiment (INFLUX) aims to use a top-down inversion methodology to quantify sources of Greenhouse Gas (GHG) emissions over an urban domain with high spatial and temporal resolution. Atmospheric transport of tracer gases from an emission source to a tower mounted receptor are usually conducted using the Weather Research and Forecasting (WRF) model. WRF is used extensively in the atmospheric community to simulate mesoscale atmospheric transport. For such simulations, WRF employs a parameterized turbulence model and does not resolve the fine scale dynamics that are generated by the flow around buildings and communities that are part of a large city. Since the model domain includes the city of Indianapolis, much of the flow of interest is over an urban topography. The NIST Fire Dynamics Simulator (FDS) is a computational fluid dynamics model to perform large eddy simulations of flow around buildings, but it has not been nested within a larger-scale atmospheric transport model such as WRF. FDS has the potential to evaluate the impact of complex urban topography on near-field dispersion and mixing that cannot be simulated with a mesoscale atmospheric model, and which may be important to determining urban GHG emissions using atmospheric measurements. A methodology has been developed to run FDS as a sub-grid scale model within a WRF simulation. The coupling is based on nudging the FDS flow field towards the one computed by WRF, and is currently limited to one way coupling performed in an off-line mode. Using the coupled WRF / FDS model, NIST will investigate the effects of the urban canopy at horizontal resolutions of 2-10 m. The coupled WRF-FDS simulations will be used to calculate the dispersion of tracer gases in an urban domain and to evaluate the upwind areas that contribute to tower observations, referred to in the inversion community as influence functions. Predicted mixing ratios will be compared with tower measurements and WRF simulations

  15. Effect of polymer morphology on proton and water transport through ionomeric polymers. [Perfluorosulfonic ionomer

    SciTech Connect

    Fales, J.L.; Springer, T.E.; Vanderborgh, N.E.; Stroeve, P.

    1985-01-01

    The rate of ionic transport through perfluorosulfonic acid membranes is set by water content within mass transfer channels of the polymer. Consequently, control of water flux is important to control transport rates. Experiments show the influence of cation type on water transport properties and on polymer physical properties. These results support the model that channel geometries are determined by the interaction of coulombic forces within the membrane. Description of these transport processes is accomplished through several mathematical routes.

  16. Computational implementation of interfacial kinetic transport theory for water vapour transport in porous media

    PubMed Central

    Albaalbaki, Bashar; Hill, Reghan J.

    2014-01-01

    A computational framework is developed for applying interfacial kinetic transport theory to predict water vapour permeability of porous media. Modified conservation equations furnish spatially periodic disturbances from which the average flux and, thus, the effective diffusivity is obtained. The equations are solved exactly for a model porous medium comprising parallel layers of gas and solid with arbitrary solid volume fraction. From the microscale effective diffusivity, a two-point boundary-value problem is solved at the macroscale to furnish the water vapour transport rate in membranes subjected to a finite RH differential. Then, the microscale model is implemented using a computational framework (extended finite-element method) to examine the role of particle size, aspect ratio and positioning for periodic arrays of aligned super-ellipses (model particles that pack with high density). We show that the transverse water vapour permeability can be reduced by an order of magnitude only when fibres with a high-aspect ratio cross section are packed in a periodic staggered configuration. Maximum permeability is achieved at intermediate micro-structural length scales, where gas-phase diffusion is enhanced by surface diffusion, but not limited by interfacial-exchange kinetics. The two-dimensional computations demonstrated here are intended to motivate further efforts to develop efficient computational solutions for realistic three-dimensional microstructures. PMID:24399918

  17. Motor coupling through lipid membranes enhances transport velocities for ensembles of myosin Va

    PubMed Central

    Nelson, Shane R.; Trybus, Kathleen M.; Warshaw, David M.

    2014-01-01

    Myosin Va is an actin-based molecular motor responsible for transport and positioning of a wide array of intracellular cargoes. Although myosin Va motors have been well characterized at the single-molecule level, physiological transport is carried out by ensembles of motors. Studies that explore the behavior of ensembles of molecular motors have used nonphysiological cargoes such as DNA linkers or glass beads, which do not reproduce one key aspect of vesicular systems—the fluid intermotor coupling of biological lipid membranes. Using a system of defined synthetic lipid vesicles (100- to 650-nm diameter) composed of either 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC) (fluid at room temperature) or 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC) (gel at room temperature) with a range of surface densities of myosin Va motors (32–125 motors per μm2), we demonstrate that the velocity of vesicle transport by ensembles of myosin Va is sensitive to properties of the cargo. Gel-state DPPC vesicles bound with multiple motors travel at velocities equal to or less than vesicles with a single myosin Va (∼450 nm/s), whereas surprisingly, ensembles of myosin Va are able to transport fluid-state DOPC vesicles at velocities significantly faster (>700 nm/s) than a single motor. To explain these data, we developed a Monte Carlo simulation that suggests that these reductions in velocity can be attributed to two distinct mechanisms of intermotor interference (i.e., load-dependent modulation of stepping kinetics and binding-site exclusion), whereas faster transport velocities are consistent with a model wherein the normal stepping behavior of the myosin is supplemented by the preferential detachment of the trailing motor from the actin track. PMID:25201964

  18. Structure and Water Transport in Nafion Nanocomposite Membranes

    NASA Astrophysics Data System (ADS)

    Davis, Eric; Page, Kirt

    2014-03-01

    Perfluorinated ionomers, specifically Nafion, are the most widely used ion exchange membranes for vanadium redox flow battery applications, where an understanding of the relationship between membrane structure and transport of water/ions is critical to battery performance. In this study, the structure of Nafion/SiO2 nanocomposite membranes, synthesized using sol-gel chemistry, as well as cast directly from Nafion/SiO2 nanoparticle dispersions, was measured using both small-angle neutron scattering (SANS) and ultra-small-angle neutron scattering (USANS). Through contrast match studies of the SiO2 nanoparticles, direct information on the change in the structure of the Nafion membranes and the ion-transport channels within was obtained, where differences in membrane structure was observed between the solution-cast membranes and the membranes synthesized using sol-gel chemistry. Additionally, water sorption and diffusion in these Nafion/SiO2 nanocomposite membranes were measured using in situ time-resolved Fourier transform infrared-attenuated total reflectance (FTIR-ATR) spectroscopy and dynamic vapor sorption (DVS).

  19. RELIABLE ANALYSES OF WATER BY INDUCTIVELY COUPLED PLASMA EMISSION SPECTROSCOPY. ANALYTICAL CHEMISTRY BRANCH

    EPA Science Inventory

    Reduction of stray light in the inductively coupled plasma emission spectrometer (ICPES) has greatly increased its reliability as a technique for the multielemental analysis of water. Because of interferences introduced by matrix elements, reliable analysis of some less-sensitive...

  20. Structure-dependent water transport across nanopores of carbon nanotubes: toward selective gating upon temperature regulation.

    PubMed

    Zhao, Kuiwen; Wu, Huiying

    2015-04-28

    Determining water structure in nanopores and its influence on water transport behaviour is of great importance for understanding and regulating the transport across nanopores. Here we report an ultrafast-slow flow transition phenomenon for water transport across nanopores of carbon nanotubes owing to the change in water structure in nanopores induced by temperature. By performing extensive molecular dynamics simulations, we show the dependence of water transport behaviours on water structures. Our results indicate that owing to the change in water structure in nanopores, water flux across nanopores with certain pore sizes decreases sharply (nearly 3 orders of magnitude) with the decreasing temperature. This phenomenon is very sensitive to the pore size. The threshold temperatures for the occurrence of the ultrafast-slow flow transition for water transport are also determined for various pore sizes. These findings suggest a novel protocol for selective gating of water and proton conduction across nanopores and temperature-controlled drug release. PMID:25805425

  1. Coupled Ca2+/H+ transport by cytoplasmic buffers regulates local Ca2+ and H+ ion signaling.

    PubMed

    Swietach, Pawel; Youm, Jae-Boum; Saegusa, Noriko; Leem, Chae-Hun; Spitzer, Kenneth W; Vaughan-Jones, Richard D

    2013-05-28

    Ca(2+) signaling regulates cell function. This is subject to modulation by H(+) ions that are universal end-products of metabolism. Due to slow diffusion and common buffers, changes in cytoplasmic [Ca(2+)] ([Ca(2+)]i) or [H(+)] ([H(+)]i) can become compartmentalized, leading potentially to complex spatial Ca(2+)/H(+) coupling. This was studied by fluorescence imaging of cardiac myocytes. An increase in [H(+)]i, produced by superfusion of acetate (salt of membrane-permeant weak acid), evoked a [Ca(2+)]i rise, independent of sarcolemmal Ca(2+) influx or release from mitochondria, sarcoplasmic reticulum, or acidic stores. Photolytic H(+) uncaging from 2-nitrobenzaldehyde also raised [Ca(2+)]i, and the yield was reduced following inhibition of glycolysis or mitochondrial respiration. H(+) uncaging into buffer mixtures in vitro demonstrated that Ca(2+) unloading from proteins, histidyl dipeptides (HDPs; e.g., carnosine), and ATP can underlie the H(+)-evoked [Ca(2+)]i rise. Raising [H(+)]i tonically at one end of a myocyte evoked a local [Ca(2+)]i rise in the acidic microdomain, which did not dissipate. The result is consistent with uphill Ca(2+) transport into the acidic zone via Ca(2+)/H(+) exchange on diffusible HDPs and ATP molecules, energized by the [H(+)]i gradient. Ca(2+) recruitment to a localized acid microdomain was greatly reduced during intracellular Mg(2+) overload or by ATP depletion, maneuvers that reduce the Ca(2+)-carrying capacity of HDPs. Cytoplasmic HDPs and ATP underlie spatial Ca(2+)/H(+) coupling in the cardiac myocyte by providing ion exchange and transport on common buffer sites. Given the abundance of cellular HDPs and ATP, spatial Ca(2+)/H(+) coupling is likely to be of general importance in cell signaling. PMID:23676270

  2. A fully coupled Monte Carlo/discrete ordinates solution to the neutron transport equation. Final report

    SciTech Connect

    Filippone, W.L.; Baker, R.S.

    1990-12-31

    The neutron transport equation is solved by a hybrid method that iteratively couples regions where deterministic (S{sub N}) and stochastic (Monte Carlo) methods are applied. Unlike previous hybrid methods, the Monte Carlo and S{sub N} regions are fully coupled in the sense that no assumption is made about geometrical separation or decoupling. The hybrid method provides a new means of solving problems involving both optically thick and optically thin regions that neither Monte Carlo nor S{sub N} is well suited for by themselves. The fully coupled Monte Carlo/S{sub N} technique consists of defining spatial and/or energy regions of a problem in which either a Monte Carlo calculation or an S{sub N} calculation is to be performed. The Monte Carlo region may comprise the entire spatial region for selected energy groups, or may consist of a rectangular area that is either completely or partially embedded in an arbitrary S{sub N} region. The Monte Carlo and S{sub N} regions are then connected through the common angular boundary fluxes, which are determined iteratively using the response matrix technique, and volumetric sources. The hybrid method has been implemented in the S{sub N} code TWODANT by adding special-purpose Monte Carlo subroutines to calculate the response matrices and volumetric sources, and linkage subrountines to carry out the interface flux iterations. The common angular boundary fluxes are included in the S{sub N} code as interior boundary sources, leaving the logic for the solution of the transport flux unchanged, while, with minor modifications, the diffusion synthetic accelerator remains effective in accelerating S{sub N} calculations. The special-purpose Monte Carlo routines used are essentially analog, with few variance reduction techniques employed. However, the routines have been successfully vectorized, with approximately a factor of five increase in speed over the non-vectorized version.

  3. Transport through side-coupled multilevel double quantum dots in the Kondo regime

    NASA Astrophysics Data System (ADS)

    Andrade, J. A.; Cornaglia, Pablo S.; Aligia, A. A.

    2014-03-01

    We analyze the transport properties of a double quantum dot device in the side-coupled configuration. A small quantum dot (QD), having a single relevant electronic level, is coupled to source and drain electrodes. A larger QD, whose multilevel nature is considered, is tunnel-coupled to the small QD. A Fermi-liquid analysis shows that the low-temperature conductance of the device is determined by the total electronic occupation of the double QD. When the small dot is in the Kondo regime, an even number of electrons in the large dot leads to a conductance that reaches the unitary limit, while for an odd number of electrons a two-stage Kondo effect is observed and the conductance is strongly suppressed. The Kondo temperature of the second-stage Kondo effect is strongly affected by the multilevel structure of the large QD. For increasing level spacing, a crossover from a large Kondo temperature regime to a small Kondo temperature regime is obtained when the level spacing becomes of the order of the large Kondo temperature.

  4. Modeling of highly brines transport in large water bodies

    NASA Astrophysics Data System (ADS)

    Lyubimova, T. P.; Lepikhin, A. P.; Parshakova, Y. N.; Tiunov, A. A.

    2010-05-01

    The paper deals with the numerical modeling of a dilution and transport of highly brines in large water bodies taking into account the density stratification effects. This problem has an exceptional importance for the guarantee of ecological security of the Kama Reservoir in the conditions of extending exploitation of Verhnekamsk deposit of potassium and magnesium salts - one of the largest in the world. The output of million of tones of the potassium fertilizer is accompanied by the producing of the same quantity of highly brines demanding utilization. With the existing technologies the desalination of such quantity of brines is extremely energy-capacious and almost inapplicable. That is why main way for the brine utilization is the release into the surface water bodies or underground water-bearing horizons. Since the uncertainty level in the parameter setting for underground water-bearing horizons is higher than that for the surface water bodies, under the same or close conditions the release into the surface water bodies is considerably less dangerous. The main water body able to assimilate such huge amount of the removed brines is the upper part of the Kama Reservoir located within the Solikamsk-Berezniki industrial centre. The wastewater arriving from this centre make a decisive contribution to the formation of hydrochemical regime of Kama river. We suggested two-dimensional imitational hydrodynamical model allowing to determine the possible pollution zones depending on the flow rate and concentration of pollutant, flow rate and water level in the Kama river and wind characteristics in the zone of pollutant discharge. This model allows not only to calculate the distribution of pollution zones for various pollutant sources but also to estimate the consequences of emergencies. The Kama river near the Solikamsk-Berezniki industrial centre has complex morphometry. For the complete and efficient accounting for the morphometry peculiarities the non-linear orthogonal

  5. Numerical simulation of suspended sediment transport merging with satellite derived data in coastal waters

    NASA Astrophysics Data System (ADS)

    Yang, Xuefei; Mao, Zhihua; Huang, Haiqing; Wang, Tianyu; Liu, Dong

    2014-11-01

    The distribution and transport of suspended sediment in the coastal areas has attracted more and more attention. Monitoring and modeling of the distribution and transport of suspended sediment is significant. The mutual promotion of remote sensing and numerical simulation plays an important role on the coastal water quality study. In this study, a method of coupling derived suspended sediment concentration (SSC) images with numerical model, based on GOCI and COHERENS (COupled Hydrodynamical-Ecological model for REgioNal and Shelf seas) model, is proposed to monitor the suspended sediment dynamics in the East China Sea. The retrieved SSC were extracted from GOCI images, to set as initial condition and employed to calibrate the parameters and validation for the hydrodynamic modeling and sediment transport modeling, respectively. The model is forced by considering tidal surface elevation at open sea boundary, river discharges, surface stress as a function of wind speed, air temperature, relative humidity and cloud coverage, bottom roughness and heat flux through sea surface. The model results are in accord with the in situ measurements. The results show that: (1) Numerical model which initialized with satellite-derived SSC data can quickly response to the changes of sediment concentration in real sense. (2) Remote sensing is helpful to calibrate and validate the model for simulating the suspended sediment concentration distribution. (3)The proposed approach can obtain reasonable simulated results in the East China Sea. (4) It is of great significance to combine remote sensing and numerical simulation together to study the water quality in the coastal areas.

  6. Reactive Transport and Coupled THM Processes in Engineering Barrier Systems (EBS)

    SciTech Connect

    Steefel, Carl; Rutqvist, Jonny; Tsang, Chin-Fu; Liu, Hui-Hai; Sonnenthal, Eric; Houseworth, Jim; Birkholzer, Jens

    2010-08-31

    Geological repositories for disposal of high-level nuclear wastes generally rely on a multi-barrier system to isolate radioactive wastes from the biosphere. The multi-barrier system typically consists of a natural barrier system, including repository host rock and its surrounding subsurface environment, and an engineering barrier system (EBS). EBS represents the man-made, engineered materials placed within a repository, including the waste form, waste canisters, buffer materials, backfill and seals (OECD, 2003). EBS plays a significant role in the containment and long-term retardation of radionuclide release. EBS is involved in complex thermal, hydrogeological, mechanical, chemical and biological processes, such as heat release due to radionuclide decay, multiphase flow (including gas release due to canister corrosion), swelling of buffer materials, radionuclide diffusive transport, waste dissolution and chemical reactions. All these processes are related to each other. An in-depth understanding of these coupled processes is critical for the performance assessment (PA) for EBS and the entire repository. Within the EBS group of Used Fuel Disposition (UFD) Campaign, LBNL is currently focused on (1) thermal-hydraulic-mechanical-chemical (THMC) processes in buffer materials (bentonite) and (2) diffusive transport in EBS associated with clay host rock, with a long-term goal to develop a full understanding of (and needed modeling capabilities to simulate) impacts of coupled processes on radionuclide transport in different components of EBS, as well as the interaction between near-field host rock (e.g., clay) and EBS and how they effect radionuclide release. This final report documents the progress that LBNL has made in its focus areas. Specifically, Section 2 summarizes progress on literature review for THMC processes and reactive-diffusive radionuclide transport in bentonite. The literature review provides a picture of the state-of-the-art of the relevant research areas

  7. Self-Adjoint Angular Flux Equation for Coupled Electron-Photon Transport

    SciTech Connect

    Liscum-Powell, J.L.; Lorence, L.J. Jr.; Morel, J.E.; Prinja, A.K.

    1999-07-08

    Recently, Morel and McGhee described an alternate second-order form of the transport equation called the self adjoint angular flux (SAAF) equation that has the angular flux as its unknown. The SAAF formulation has all the advantages of the traditional even- and odd-parity self-adjoint equations, with the added advantages that it yields the full angular flux when it is numerically solved, it is significantly easier to implement reflective and reflective-like boundary conditions, and in the appropriate form it can be solved in void regions. The SAAF equation has the disadvantage that the angular domain is the full unit sphere and, like the even- and odd- parity form, S{sub n} source iteration cannot be implemented using the standard sweeping algorithm. Also, problems arise in pure scattering media. Morel and McGhee demonstrated the efficacy of the SAAF formulation for neutral particle transport. Here we apply the SAAF formulation to coupled electron-photon transport problems using multigroup cross-sections from the CEPXS code and S{sub n} discretization.

  8. Simultaneous parameter estimation and contaminant source characterization for coupled groundwater flow and contaminant transport modelling

    USGS Publications Warehouse

    Wagner, B.J.

    1992-01-01

    Parameter estimation and contaminant source characterization are key steps in the development of a coupled groundwater flow and contaminant transport simulation model. Here a methodologyfor simultaneous model parameter estimation and source characterization is presented. The parameter estimation/source characterization inverse model combines groundwater flow and contaminant transport simulation with non-linear maximum likelihood estimation to determine optimal estimates of the unknown model parameters and source characteristics based on measurements of hydraulic head and contaminant concentration. First-order uncertainty analysis provides a means for assessing the reliability of the maximum likelihood estimates and evaluating the accuracy and reliability of the flow and transport model predictions. A series of hypothetical examples is presented to demonstrate the ability of the inverse model to solve the combined parameter estimation/source characterization inverse problem. Hydraulic conductivities, effective porosity, longitudinal and transverse dispersivities, boundary flux, and contaminant flux at the source are estimated for a two-dimensional groundwater system. In addition, characterization of the history of contaminant disposal or location of the contaminant source is demonstrated. Finally, the problem of estimating the statistical parameters that describe the errors associated with the head and concentration data is addressed. A stage-wise estimation procedure is used to jointly estimate these statistical parameters along with the unknown model parameters and source characteristics. ?? 1992.

  9. Effects of electron-vibration coupling in transport through single molecules.

    PubMed

    Franke, Katharina J; Pascual, Jose Ignacio

    2012-10-01

    Using scanning tunneling spectroscopy, we study the transport of electrons through C(60) molecules on different metal surfaces. When electrons tunnel through a molecule, they may excite molecular vibrations. A fingerprint of these processes is a characteristic sub-structure in the differential conductance spectra of the molecular junction reflecting the onset of vibrational excitation. Although the intensity of these processes is generally weak, they become more important as the resonant character of the transport mechanism increases. The detection of single vibrational levels crucially depends on the energy level alignment and lifetimes of excited states. In the limit of large current densities, resonant electron-vibration coupling leads to an energy accumulation in the molecule, which eventually leads to its decomposition. With our experiments on C(60) we are able to depict a molecular scale picture of how electrons interact with the vibrational degrees of freedom of single molecules in different transport regimes. This understanding helps in the development of stable molecular devices, which may also carry a switchable functionality. PMID:22964796

  10. Electrical asymmetry effect for controlling the transport of micrometer-sized particles in capacitively coupled plasmas

    NASA Astrophysics Data System (ADS)

    Iwashita, Shinya; Schuengel, Edmund; Schulze, Julian; Uchida, Giichiro; Koga, Kazunori; Hartmann, Peter; Shiratani, Masaharu; Donko, Zoltan; Czarnetzki, Uwe

    2012-10-01

    We have developed a novel method to control the dust particle transport in capacitively coupled plasmas via the electrical asymmetry effect (EAE) [1]. At low pressures the EAE allows controlling the spatial potential profile and the ion density distribution by adjusting the phase angle between a fundamental frequency and its second harmonic, resulting in control of forces exerted on dust particles such as electrostatic and ion drag forces. We report the experimental results of this method using SiO2 particles of 1.5 μm in size, which are inserted into an argon discharge. Initially dust particles tend to be confined at the sheath edge near the bottom electrode, and the change of their equilibrium position with plasma due to the adiabatic phase shift can be well understood by the electric field profile obtained from a simple analytical model. By applying the abrupt change of phase angle from 90 to 0 dust particles are transported between both sheaths through the plasma bulk [1]. Based on the model of this transport [1] the potential profile can be obtained by experimental results.[4pt] [1] Iwashita S et al., Plasma Sources Sci. Technol. 21 (2012) 032001.

  11. The divergence, actions, roles, and relatives of sodium-coupled bicarbonate transporters.

    PubMed

    Parker, Mark D; Boron, Walter F

    2013-04-01

    The mammalian Slc4 (Solute carrier 4) family of transporters is a functionally diverse group of 10 multi-spanning membrane proteins that includes three Cl-HCO3 exchangers (AE1-3), five Na(+)-coupled HCO3(-) transporters (NCBTs), and two other unusual members (AE4, BTR1). In this review, we mainly focus on the five mammalian NCBTs-NBCe1, NBCe2, NBCn1, NDCBE, and NBCn2. Each plays a specialized role in maintaining intracellular pH and, by contributing to the movement of HCO3(-) across epithelia, in maintaining whole-body pH and otherwise contributing to epithelial transport. Disruptions involving NCBT genes are linked to blindness, deafness, proximal renal tubular acidosis, mental retardation, and epilepsy. We also review AE1-3, AE4, and BTR1, addressing their relevance to the study of NCBTs. This review draws together recent advances in our understanding of the phylogenetic origins and physiological relevance of NCBTs and their progenitors. Underlying these advances is progress in such diverse disciplines as physiology, molecular biology, genetics, immunocytochemistry, proteomics, and structural biology. This review highlights the key similarities and differences between individual NCBTs and the genes that encode them and also clarifies the sometimes confusing NCBT nomenclature. PMID:23589833

  12. Coupling Deterministic and Monte Carlo Transport Methods for the Simulation of Gamma-Ray Spectroscopy Scenarios

    SciTech Connect

    Smith, Leon E.; Gesh, Christopher J.; Pagh, Richard T.; Miller, Erin A.; Shaver, Mark W.; Ashbaker, Eric D.; Batdorf, Michael T.; Ellis, J. E.; Kaye, William R.; McConn, Ronald J.; Meriwether, George H.; Ressler, Jennifer J.; Valsan, Andrei B.; Wareing, Todd A.

    2008-10-31

    Radiation transport modeling methods used in the radiation detection community fall into one of two broad categories: stochastic (Monte Carlo) and deterministic. Monte Carlo methods are typically the tool of choice for simulating gamma-ray spectrometers operating in homeland and national security settings (e.g. portal monitoring of vehicles or isotope identification using handheld devices), but deterministic codes that discretize the linear Boltzmann transport equation in space, angle, and energy offer potential advantages in computational efficiency for many complex radiation detection problems. This paper describes the development of a scenario simulation framework based on deterministic algorithms. Key challenges include: formulating methods to automatically define an energy group structure that can support modeling of gamma-ray spectrometers ranging from low to high resolution; combining deterministic transport algorithms (e.g. ray-tracing and discrete ordinates) to mitigate ray effects for a wide range of problem types; and developing efficient and accurate methods to calculate gamma-ray spectrometer response functions from the deterministic angular flux solutions. The software framework aimed at addressing these challenges is described and results from test problems that compare coupled deterministic-Monte Carlo methods and purely Monte Carlo approaches are provided.

  13. Transport and trapping of dust particles in a potential well created by inductively coupled diffused plasmas.

    PubMed

    Choudhary, Mangilal; Mukherjee, S; Bandyopadhyay, P

    2016-05-01

    A versatile linear dusty (complex) plasma device is designed to study the transport and dynamical behavior of dust particles in a large volume. Diffused inductively coupled plasma is generated in the background of argon gas. A novel technique is used to introduce the dust particles in the main plasma by striking a secondary direct current glow discharge. These dust particles are found to get trapped in an electrostatic potential well, which is formed due to the combination of the ambipolar electric field caused by diffusive plasma and the field produced by the charged glass wall of the vacuum chamber. According to the requirements, the volume of the dust cloud can be controlled very precisely by tuning the plasma and discharge parameters. The present device can be used to address the underlying physics behind the transport of dust particles, self-excited dust acoustic waves, and instabilities. The detailed design of this device, plasma production and characterization, trapping and transport of the dust particle, and some of the preliminary experimental results are presented. PMID:27250421

  14. Transport and trapping of dust particles in a potential well created by inductively coupled diffused plasmas

    NASA Astrophysics Data System (ADS)

    Choudhary, Mangilal; Mukherjee, S.; Bandyopadhyay, P.

    2016-05-01

    A versatile linear dusty (complex) plasma device is designed to study the transport and dynamical behavior of dust particles in a large volume. Diffused inductively coupled plasma is generated in the background of argon gas. A novel technique is used to introduce the dust particles in the main plasma by striking a secondary direct current glow discharge. These dust particles are found to get trapped in an electrostatic potential well, which is formed due to the combination of the ambipolar electric field caused by diffusive plasma and the field produced by the charged glass wall of the vacuum chamber. According to the requirements, the volume of the dust cloud can be controlled very precisely by tuning the plasma and discharge parameters. The present device can be used to address the underlying physics behind the transport of dust particles, self-excited dust acoustic waves, and instabilities. The detailed design of this device, plasma production and characterization, trapping and transport of the dust particle, and some of the preliminary experimental results are presented.

  15. The Divergence, Actions, Roles, and Relatives of Sodium-Coupled Bicarbonate Transporters

    PubMed Central

    Boron, Walter F.

    2013-01-01

    The mammalian Slc4 (Solute carrier 4) family of transporters is a functionally diverse group of 10 multi-spanning membrane proteins that includes three Cl-HCO3 exchangers (AE1–3), five Na+-coupled HCO3− transporters (NCBTs), and two other unusual members (AE4, BTR1). In this review, we mainly focus on the five mammalian NCBTs-NBCe1, NBCe2, NBCn1, NDCBE, and NBCn2. Each plays a specialized role in maintaining intracellular pH and, by contributing to the movement of HCO3− across epithelia, in maintaining whole-body pH and otherwise contributing to epithelial transport. Disruptions involving NCBT genes are linked to blindness, deafness, proximal renal tubular acidosis, mental retardation, and epilepsy. We also review AE1–3, AE4, and BTR1, addressing their relevance to the study of NCBTs. This review draws together recent advances in our understanding of the phylogenetic origins and physiological relevance of NCBTs and their progenitors. Underlying these advances is progress in such diverse disciplines as physiology, molecular biology, genetics, immunocytochemistry, proteomics, and structural biology. This review highlights the key similarities and differences between individual NCBTs and the genes that encode them and also clarifies the sometimes confusing NCBT nomenclature. PMID:23589833

  16. Spin transport in normal metal/insulator/topological insulator coupled to ferromagnetic insulator structures

    SciTech Connect

    Kondo, Kenji

    2014-05-07

    In this study, we investigate the spin transport in normal metal (NM)/insulator (I)/topological insulator (TI) coupled to ferromagnetic insulator (FI) structures. In particular, we focus on the barrier thickness dependence of the spin transport inside the bulk gap of the TI with FI. The TI with FI is described by two-dimensional (2D) Dirac Hamiltonian. The energy profile of the insulator is assumed to be a square with barrier height V and thickness d along the transport-direction. This structure behaves as a tunnel device for 2D Dirac electrons. The calculation is performed for the spin conductance with changing the barrier thickness and the components of magnetization of FI layer. It is found that the spin conductance decreases with increasing the barrier thickness. Also, the spin conductance is strongly dependent on the polar angle θ, which is defined as the angle between the axis normal to the FI and the magnetization of FI layer. These results indicate that the structures are promising candidates for novel tunneling magnetoresistance devices.

  17. ITS Version 6 : the integrated TIGER series of coupled electron/photon Monte Carlo transport codes.

    SciTech Connect

    Franke, Brian Claude; Kensek, Ronald Patrick; Laub, Thomas William

    2008-04-01

    ITS is a powerful and user-friendly software package permitting state-of-the-art Monte Carlo solution of lineartime-independent coupled electron/photon radiation transport problems, with or without the presence of macroscopic electric and magnetic fields of arbitrary spatial dependence. Our goal has been to simultaneously maximize operational simplicity and physical accuracy. Through a set of preprocessor directives, the user selects one of the many ITS codes. The ease with which the makefile system is applied combines with an input scheme based on order-independent descriptive keywords that makes maximum use of defaults and internal error checking to provide experimentalists and theorists alike with a method for the routine but rigorous solution of sophisticated radiation transport problems. Physical rigor is provided by employing accurate cross sections, sampling distributions, and physical models for describing the production and transport of the electron/photon cascade from 1.0 GeV down to 1.0 keV. The availability of source code permits the more sophisticated user to tailor the codes to specific applications and to extend the capabilities of the codes to more complex applications. Version 6, the latest version of ITS, contains (1) improvements to the ITS 5.0 codes, and (2) conversion to Fortran 90. The general user friendliness of the software has been enhanced through memory allocation to reduce the need for users to modify and recompile the code.

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

    PubMed

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

    2015-01-01

    In this paper, we present a flexible approach for simulating one- and two-dimensional routing of surface water using a numerical surface water routing (SWR) code implicitly coupled to the groundwater-flow process in MODFLOW. Surface water routing in SWR can be simulated using a diffusive-wave approximation of the Saint-Venant equations and/or a simplified level-pool approach. SWR can account for surface water flow controlled by backwater conditions caused by small water-surface gradients or surface water control structures. A number of typical surface water control structures, such as culverts, weirs, and gates, can be represented, and it is possible to implement operational rules to manage surface water stages and streamflow. The nonlinear system of surface water flow equations formulated in SWR is solved by using Newton methods and direct or iterative solvers. SWR was tested by simulating the (1) Lal axisymmetric overland flow, (2) V-catchment, and (3) modified Pinder-Sauer problems. Simulated results for these problems compare well with other published results and indicate that SWR provides accurate results for surface water-only and coupled surface water/groundwater problems. Results for an application of SWR and MODFLOW to the Snapper Creek area of Miami-Dade County, Florida, USA are also presented and demonstrate the value of coupled surface water and groundwater simulation in managed, low-relief coastal settings. PMID:24902965

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

    USGS Publications Warehouse

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

    2015-01-01

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

  20. The Mars Dust and Water Cycles: Investigating the Influence of Clouds on the Vertical Distribution and Meridional Transport of Dust and Water

    NASA Astrophysics Data System (ADS)

    Kahre, Melinda A.; Haberle, Robert M.; Hollingsworth, Jeffery L.; Brecht, Amanda S.; Urata, Richard A.

    2015-11-01

    The dust and water cycles are critical to the current Martian climate, and they interact with each other through cloud formation. Dust modulates the thermal structure of the atmosphere and thus greatly influences atmospheric circulation. Clouds provide radiative forcing and control the net hemispheric transport of water through the alteration of the vertical distributions of water and dust. Recent advancements in the quality and sophistication of both climate models and observations enable an increased understanding of how the coupling between the dust and water cycles (through cloud formation) impacts the dust and water cycles. We focus here on the effects of clouds on the vertical distributions of dust and water and how those vertical distributions control the net meridional transport of water. We utilize observations of temperature, dust and water ice from the Mars Climate Sounder (MCS) on the Mars Reconnaissance Orbiter (MRO) and the NASA ARC Mars Global Climate Model (MGCM) to show that the magnitude and nature of the hemispheric exchange of water during NH summer is sensitive to the vertical structure of the simulated aphelion cloud belt. Further, we investigate how clouds influence atmospheric temperatures and thus the vertical structure of the cloud belt. Our goal is to isolate and understand the importance of radiative/dynamic feedbacks due to the physical processes involved with cloud formation and evolution on the current climate of Mars.

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

    NASA Astrophysics Data System (ADS)

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

    2015-04-01

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

  2. Coupling Mars' Dust and Water Cycles: Effects on Dust Lifting Vigor, Spatial Extent and Seasonality

    NASA Technical Reports Server (NTRS)

    Kahre, M. A.; Hollingsworth, J. L.; Haberle, R. M.; Montmessin, F.

    2012-01-01

    The dust cycle is an important component of Mars' current climate system. Airborne dust affects the radiative balance of the atmosphere, thus greatly influencing the thermal and dynamical state of the atmosphere. Dust raising events on Mars occur at spatial scales ranging from meters to planet-wide. Although the occurrence and season of large regional and global dust storms are highly variable from one year to the next, there are many features of the dust cycle that occur year after year. Generally, a low-level dust haze is maintained during northern spring and summer, while elevated levels of atmospheric dust occur during northern autumn and winter. During years without global-scale dust storms, two peaks in total dust loading were observed by MGS/TES: one peak occurred before northern winter solstice at Ls 200-240, and one peak occurred after northern winter solstice at L(sub s) 305-340. These maxima in dust loading are thought to be associated with transient eddy activity in the northern hemisphere, which has been observed to maximize pre- and post-solstice. Interactive dust cycle studies with Mars General Circulation Models (MGCMs) have included the lifting, transport, and sedimentation of radiatively active dust. Although the predicted global dust loadings from these simulations capture some aspects of the observed dust cycle, there are marked differences between the simulated and observed dust cycles. Most notably, the maximum dust loading is robustly predicted by models to occur near northern winter solstice and is due to dust lifting associated with down slope flows on the flanks of the Hellas basin. Thus far, models have had difficulty simulating the observed pre- and post- solstice peaks in dust loading. Interactive dust cycle studies typically have not included the formation of water ice clouds or their radiative effects. Water ice clouds can influence the dust cycle by scavenging dust from atmosphere and by interacting with solar and infrared radiation

  3. Generic reactive transport codes as flexible tools to integrate soil organic matter degradation models with water, transport and geochemistry in soils

    NASA Astrophysics Data System (ADS)

    Jacques, Diederik; Gérard, Fréderic; Mayer, Uli; Simunek, Jirka; Leterme, Bertrand

    2016-04-01

    A large number of organic matter degradation, CO2 transport and dissolved organic matter models have been developed during the last decades. However, organic matter degradation models are in many cases strictly hard-coded in terms of organic pools, degradation kinetics and dependency on environmental variables. The scientific input of the model user is typically limited to the adjustment of input parameters. In addition, the coupling with geochemical soil processes including aqueous speciation, pH-dependent sorption and colloid-facilitated transport are not incorporated in many of these models, strongly limiting the scope of their application. Furthermore, the most comprehensive organic matter degradation models are combined with simplified representations of flow and transport processes in the soil system. We illustrate the capability of generic reactive transport codes to overcome these shortcomings. The formulations of reactive transport codes include a physics-based continuum representation of flow and transport processes, while biogeochemical reactions can be described as equilibrium processes constrained by thermodynamic principles and/or kinetic reaction networks. The flexibility of these type of codes allows for straight-forward extension of reaction networks, permits the inclusion of new model components (e.g.: organic matter pools, rate equations, parameter dependency on environmental conditions) and in such a way facilitates an application-tailored implementation of organic matter degradation models and related processes. A numerical benchmark involving two reactive transport codes (HPx and MIN3P) demonstrates how the process-based simulation of transient variably saturated water flow (Richards equation), solute transport (advection-dispersion equation), heat transfer and diffusion in the gas phase can be combined with a flexible implementation of a soil organic matter degradation model. The benchmark includes the production of leachable organic matter

  4. Development of CO2 inversion system based on the adjoint of the global coupled transport model

    NASA Astrophysics Data System (ADS)

    Belikov, Dmitry; Maksyutov, Shamil; Chevallier, Frederic; Kaminski, Thomas; Ganshin, Alexander; Blessing, Simon

    2014-05-01

    We present the development of an inverse modeling system employing an adjoint of the global coupled transport model consisting of the National Institute for Environmental Studies (NIES) Eulerian transport model (TM) and the Lagrangian plume diffusion model (LPDM) FLEXPART. NIES TM is a three-dimensional atmospheric transport model, which solves the continuity equation for a number of atmospheric tracers on a grid spanning the entire globe. Spatial discretization is based on a reduced latitude-longitude grid and a hybrid sigma-isentropic coordinate in the vertical. NIES TM uses a horizontal resolution of 2.5°×2.5°. However, to resolve synoptic-scale tracer distributions and to have the ability to optimize fluxes at resolutions of 0.5° and higher we coupled NIES TM with the Lagrangian model FLEXPART. The Lagrangian component of the forward and adjoint models uses precalculated responses of the observed concentration to the surface fluxes and 3-D concentrations field simulated with the FLEXPART model. NIES TM and FLEXPART are driven by JRA-25/JCDAS reanalysis dataset. Construction of the adjoint of the Lagrangian part is less complicated, as LPDMs calculate the sensitivity of measurements to the surrounding emissions field by tracking a large number of "particles" backwards in time. Developing of the adjoint to Eulerian part was performed with automatic differentiation tool the Transformation of Algorithms in Fortran (TAF) software (http://www.FastOpt.com). This method leads to the discrete adjoint of NIES TM. The main advantage of the discrete adjoint is that the resulting gradients of the numerical cost function are exact, even for nonlinear algorithms. The overall advantages of our method are that: 1. No code modification of Lagrangian model is required, making it applicable to combination of global NIES TM and any Lagrangian model; 2. Once run, the Lagrangian output can be applied to any chemically neutral gas; 3. High-resolution results can be obtained over

  5. Coupled inverse geochemical and microbial reactive transport models in porous media

    NASA Astrophysics Data System (ADS)

    Samper, J.; Yang, C.

    2007-12-01

    Microbial processes play a major role in controlling geochemical conditions in subsurface systems. Various laboratory and in situ experiments have been performed to evaluate the relevance of microbial processes and derive key microbial parameters. Such experiments are often interpreted by suboptimal trial-and-error curve fitting. Here we present an inverse model for coupled flow, reactive solute transport, geochemical and microbial processes which overcomes the limitations of trial-and-error methods by making data interpretation in a systematic, objective, and efficient manner. It extends the capabilities of existing inverse models which deal mostly with flow and chemically-reactive solute transport. Our inverse model relies on the microbial reactive transport code BIOCORE of Samper et al. (2006a) and improves the inverse reactive transport model INVERSE- CORE of Dai and Samper (2004) by allowing the simultaneous estimation of geochemical and microbial parameters. The inverse model has been implemented in a finite element code, INVERSE-BIOCORE2D and its capabilities have been verified and tested with a synthetic experiment involving equilibrium speciation, kinetic sorption/desorption and kinetic biodegradation reactions. Model results indicate that both chemical and microbial parameters can be estimated accurately for error-free data. Estimation errors of microbial parameters are larger than those of kinetic sorption parameters and generally increase with increasing standard deviation of data noise. Estimation error of yield coefficient is the smallest among all microbial parameter and which does not depend on data noise. The inverse model has been used also to estimate microbial parameters of a laboratory experiment involving sucrose fermentation by yeast. Inverse estimation improves significantly the fit to measured data.

  6. Modeling Particulate Matter Plumes from 2007 California Wildland Fires Using a Coupled Emissions-Transport System

    NASA Astrophysics Data System (ADS)

    Koziol, B. W.; Owen, R. C.; Erickson, T. A.; French, N. H.

    2010-12-01

    Transport of particulate matter (PM) emissions from 2007 wildland fires in San Diego County were modeled using the HYbrid Single Particle Lagrangian Integrated Trajectory (HYSPLIT model). Fire PM sources (2.5 and 10) were estimated using a statistical, empirically-based fuel consumption and emission model (CONSUME) parameterized using weather data and fuel loadings from the Fuel Characteristics Classification System (FCCS). Using vectorized temporal burn perimeters derived from geostatistical interpolation of fire progression remote sensing images and local physiographic indicators, CONSUME emissions outputs were generated for the daily burned area and entered into HYSPLIT for the transport component. Total daily PM fire emissions were equally distributed over a 24-hour time period. Emissions are then transported in the model for three days. This poster describes the modeling system and reports on calibration and validation methods as well as results for the 2007 PM concentration time series. We evaluate the effectiveness of HYSPLIT’s fully 3-D particle plume scheme and its combined Gaussian-horizontal puff and vertical particle plume scheme. The primary source of calibration data are atmospheric monitoring stations located in the San Diego region. Also detailed are effects of fuel model spatial resolution (30-meter and 1-kilometer fuel beds modeled as separate CONSUME/HYSPLIT scenarios) and influential CONSUME parameters on modeled HYSPLIT concentrations at receptor locations. In addition, potential methods to identify the PM “signal” associated with fire v. anthropogenic emissions are discussed. These methods involve time series comparisons of modeled and in situ PM data in association with HYSPLIT-modeled anthropogenic PM source inventories. PM concentrations estimates from this coupled transport system will be used in a larger project assessing acute respiratory health impacts of fire-emitted pollutants in San Diego County.

  7. Modeling of coupled heat transfer and reactive transport processesin porous media: Application to seepage studies at Yucca Mountain, Nevada

    SciTech Connect

    Mukhopadhyay, S.; Sonnenthal, E.L.; Spycher, N.

    2007-01-15

    When hot radioactive waste is placed in subsurface tunnels, a series of complex changes occurs in the surrounding medium. The water in the pore space of the medium undergoes vaporization and boiling. Subsequently, vapor migrates out of the matrix pore space, moving away from the tunnel through the permeable fracture network. This migration is propelled by buoyancy, by the increased vapor pressure caused by heating and boiling, and through local convection. In cooler regions, the vapor condenses on fracture walls, where it drains through the fracture network. Slow imbibition of water thereafter leads to gradual rewetting of the rock matrix. These thermal and hydrological processes also bring about chemical changes in the medium. Amorphous silica precipitates from boiling and evaporation, and calcite from heating and CO{sub 2} volatilization. The precipitation of amorphous silica, and to a much lesser extent calcite, results in long-term permeability reduction. Evaporative concentration also results in the precipitation of gypsum (or anhydrite), halite, fluorite and other salts. These evaporative minerals eventually redissolve after the boiling period is over, however, their precipitation results in a significant temporary decrease in permeability. Reduction of permeability is also associated with changes in fracture capillary characteristics. In short, the coupled thermal-hydrological-chemical (THC) processes dynamically alter the hydrological properties of the rock. A model based on the TOUGHREACT reactive transport software is presented here to investigate the impact of THC processes on flow near an emplacement tunnel at Yucca Mountain, Nevada. We show how transient changes in hydrological properties caused by THC processes often lead to local flow channeling and saturation increases above the tunnel. For models that include only permeability changes to fractures, such local flow channeling may lead to seepage relative to models where THC effects are ignored

  8. Modeling of coupled heat transfer and reactive transport processesin porous media: Application to seepage studies at Yucca Mountain, Nevada

    SciTech Connect

    Mukhopadhyay, Sumit; Sonnenthal, Eric L.; Spycher, Nicolas

    2007-01-15

    When hot radioactive waste is placed in subsurface tunnels, a series of complex changes occurs in the surrounding medium. The water in the pore space of the medium undergoes vaporization and boiling. Subsequently, vapor migrates out of the matrix pore space, moving away from the tunnel through the permeable fracture network. This migration is propelled by buoyancy, by the increased vapor pressure caused by heating and boiling, and through local convection. In cooler regions, the vapor condenses on fracture walls, where it drains through the fracture network. Slow imbibition of water thereafter leads to gradual rewetting of the rock matrix. These thermal and hydrological processes also bring about chemical changes in the medium. Amorphous silica precipitates from boiling and evaporation, and calcite from heating and CO2 volatilization. The precipitation of amorphous silica, and to a much lesser extent calcite, results in long-term permeability reduction. Evaporative concentration also results in the precipitation of gypsum (or anhydrite), halite, fluorite and other salts. These evaporative minerals eventually redissolve after the boiling period is over, however, their precipitation results in a significant temporary decrease in permeability. Reduction of permeability is also associated with changes in fracture capillary characteristics. In short, the coupled thermal-hydrological-chemical (THC) processes dynamically alter the hydrological properties of the rock. A model based on the TOUGHREACT reactive transport software is presented here to investigate the impact of THC processes on flow near an emplacement tunnel at Yucca Mountain, Nevada. We show how transient changes in hydrological properties caused by THC processes often lead to local flow channeling and saturation increases above the tunnel. For models that include only permeability changes to fractures, such local flow channeling may lead to seepage relative to models where THC effects are ignored. However

  9. Analysis of the influence of coupled diffusion on transport in protein crystal growth for different gravity levels.

    PubMed

    Castagnolo, D; Vergara, A; Paduano, L; Sartorio, R; Annunziata, O

    2002-10-01

    Diffusion has a central role in protein crystal growth both in microgravity conditions and on ground. Recently several reports have been focused on the importance to use the generalized Fick's equations in n-component systems where crystals grow. In these equations the total flux of each component is produced by the own concentration gradient (main flow) and by the concentration gradient of the other components (cross-flow) present in the system. However in literature the latter effect is often neglected, and the so-called pseudo-binary approximation is used. Lin et al. (1995) proposed a mathematical model to evaluate the concentration profile of the species present around a growing protein crystal. Although the model is reliable, it suffers of the pseudo-binary approximation (neglecting cross term diffusion coefficients and using binary diffusion coefficients), probably because of the lack of multicomponent diffusion data. The present model is based on the experimental set-up proposed by Lin et al. (1995). Nevertheless we have included the coupled diffusion effects, according to the correct description of the matter transport through the generalized Fick's equations. The crystal growth rate is calculated for different gravity levels. The model has been applied to the ternary lysozyme-NaCl-water and quaternary lysozyme-poly(ethylene glycol) (PEG)-NaCl-water systems using recent diffusion data. PMID:12351876

  10. Monte Carlo electron-photon transport using GPUs as an accelerator: Results for a water-aluminum-water phantom

    SciTech Connect

    Su, L.; Du, X.; Liu, T.; Xu, X. G.

    2013-07-01

    An electron-photon coupled Monte Carlo code ARCHER - Accelerated Radiation-transport Computations in Heterogeneous Environments - is being developed at Rensselaer Polytechnic Institute as a software test bed for emerging heterogeneous high performance computers that utilize accelerators such as GPUs. In this paper, the preliminary results of code development and testing are presented. The electron transport in media was modeled using the class-II condensed history method. The electron energy considered ranges from a few hundred keV to 30 MeV. Moller scattering and bremsstrahlung processes above a preset energy were explicitly modeled. Energy loss below that threshold was accounted for using the Continuously Slowing Down Approximation (CSDA). Photon transport was dealt with using the delta tracking method. Photoelectric effect, Compton scattering and pair production were modeled. Voxelised geometry was supported. A serial ARHCHER-CPU was first written in C++. The code was then ported to the GPU platform using CUDA C. The hardware involved a desktop PC with an Intel Xeon X5660 CPU and six NVIDIA Tesla M2090 GPUs. ARHCHER was tested for a case of 20 MeV electron beam incident perpendicularly on a water-aluminum-water phantom. The depth and lateral dose profiles were found to agree with results obtained from well tested MC codes. Using six GPU cards, 6x10{sup 6} histories of electrons were simulated within 2 seconds. In comparison, the same case running the EGSnrc and MCNPX codes required 1645 seconds and 9213 seconds, respectively, on a CPU with a single core used. (authors)

  11. Role of direct electron-phonon coupling across metal-semiconductor interfaces in thermal transport via molecular dynamics

    SciTech Connect

    Lin, Keng-Hua; Strachan, Alejandro

    2015-07-21

    Motivated by significant interest in metal-semiconductor and metal-insulator interfaces and superlattices for energy conversion applications, we developed a molecular dynamics-based model that captures the thermal transport role of conduction electrons in metals and heat transport across these types of interface. Key features of our model, denoted eleDID (electronic version of dynamics with implicit degrees of freedom), are the natural description of interfaces and free surfaces and the ability to control the spatial extent of electron-phonon (e-ph) coupling. Non-local e-ph coupling enables the energy of conduction electrons to be transferred directly to the semiconductor/insulator phonons (as opposed to having to first couple to the phonons in the metal). We characterize the effect of the spatial e-ph coupling range on interface resistance by simulating heat transport through a metal-semiconductor interface to mimic the conditions of ultrafast laser heating experiments. Direct energy transfer from the conduction electrons to the semiconductor phonons not only decreases interfacial resistance but also increases the ballistic transport behavior in the semiconductor layer. These results provide new insight for experiments designed to characterize e-ph coupling and thermal transport at the metal-semiconductor/insulator interfaces.

  12. A coupled field study of subsurface fracture flow and colloid transport

    NASA Astrophysics Data System (ADS)

    Zhang, Wei; Tang, Xiang-Yu; Weisbrod, Noam; Zhao, Pei; Reid, Brian J.

    2015-05-01

    Field studies of subsurface transport of colloids, which may act as carriers of contaminants, are still rare. This is particularly true for heterogeneous and fractured matrices. To address this knowledge gap, a 30-m long monitoring trench was constructed at the lower end of sloping farmland in central Sichuan, southwest China. During the summer of 2013, high resolution dynamic and temporal fracture flow discharging from the interface between fractured mudrock and impermeable sandstone was obtained at intervals of 5 min (for fast rising stages), 30-60 min (for slow falling stages) or 15 min (at all other times). This discharge was analyzed to elucidate fracture flow and colloid transport in response to rainfall events. Colloid concentrations were observed to increase quickly once rainfall started (∼15-90 min) and reached peak values of up to 188 mg/L. Interestingly, maximum colloid concentration occurred prior to the arrival of flow discharge peak (i.e. maximum colloid concentration was observed before saturation of the soil layer). Rainfall intensity (rather than its duration) was noted to be the main factor controlling colloid response and transport. Dissolved organic carbon concentration and δ18O dynamics in combination with soil water potential were used to apportion water sources of fracture flow at different stages. These approaches suggested the main source of the colloids discharged to be associated with the flushing of colloids from the soil mesopores and macropores. Beyond the scientific interest of colloid mobilization and transport at the field scale, these results have important implications for a region of about 160,000 km2 in southwest China that featured similar hydrogeologic settings as the experimental site. In this agriculture-dominated area, application of pesticides and fertilizers to farmland is prevalent. These results highlight the need to avoid such applications immediately before rainfall events in order to reduce rapid migration to

  13. Interactions of solutes and streambed sediment. 2. A dynamic analysis of coupled hydrologic and chemical processes that determine solute transport.

    USGS Publications Warehouse

    Bencala, K.E.

    1984-01-01

    Solute transport in streams is determined by the interaction of physical and chemical processes. Data from an injection experiment for chloride and several cations indicate significant influence of solute-streambed processes on transport in a mountain stream. These data are interpreted in terms of transient storage processes for all tracers and sorption processes for the cations. Process parameter values are estimated with simulations based on coupled quasi-two-dimensional transport and first-order mass transfer sorption. Comparative simulations demonstrate the relative roles of the physical and chemical processes in determining solute transport. -from Author

  14. A coupling simulation based on a hydrodynamics and water quality model of the Pearl River Delta, China

    NASA Astrophysics Data System (ADS)

    Zhou, Nianqing; Westrich, Bernhard; Jiang, Simin; Wang, Yan

    2011-01-01

    SummaryThe rapid economic development has caused heavy pollution in the Pearl River Delta Region (PRDR) and neighboring regions. In order to investigate the polluted characteristics, a coupled modelling approach has been deployed and the study area in the Pear River Delta is divided into two modelling systems: a river network that is simulated by a 1D hydrodynamic and water quality model, and an estuary that is modelled by a 3D model. The 1D river network model is coupled with the 3D estuary model based on the mass conservation criteria. The hydrodynamic (HD) model is based on 1D hydrostatic shallow water equations, and is solved by the Alternating Direction Implicit Approach. The water quality (WQ) model component is based on advection-diffusion equations. Some physical and bio-chemical processes are included in the WQ model to address the water pollution problems by different pollution substances, in particular, to the chemical oxygen demand (COD). The water quality data of the main rivers from 2004 to 2007 were collected, processed and evaluated. Because no detailed water quality data in the river is available, the COD source pollution intensity in the water quality model is taking the pollutant load from the confluence of the main five outlets of the Pearl River Estuary (PRE) for 1996-2007 as surrogate. The results show that the pollutants from the PRDR have a large impact on the quality of the Hong Kong seawater and much more serious in the wet season with high river discharge. An insight of the flow and transportation mechanism in the river and estuary system has been obtained through the paper, and a reliable basis to control water pollution of the Pearl River Delta is provided in this paper.

  15. Isotonic secretion via frog skin glands in vitro. Water secretion is coupled to the secretion of sodium ions.

    PubMed

    Nielsen, R

    1990-05-01

    In isolated frog skin at least three different types of cells are engaged in the transepithelial ion and water transport; these are the granular cells, the mitochondria-rich cells and the glandular cells. The experiments presented were carried out on isolated frog skin bathed in Cl- or NO3- Ringer's solution, where the active transepithelial Na+ uptake via the granular cells was blocked by amiloride. Transepithelial current and water flow were measured. When a negative current was passed across the skins (the skins were clamped at -100 mV), the current was mainly carried by a net influx of Cl- via the mitochondria-rich cells. The current had no effect on the transepithelial water movement. This finding indicates that there is nearly no coupling between the Cl- flux and the movement of water via the mitochondria-rich cells. Prostaglandin E2 activates the glandular cells of the exocrine glands in the skin. When prostaglandin E2 was added under these experimental conditions (the skins were clamped at -100 mV, with amiloride in the apical bathing solution, and the glandular secretion of ions was blocked by the use of NO3- Ringer's solution), then the transepithelial current became more negative. This change in current was mainly due to an increase in the Na+ efflux via the glands. Thus PGE2 increase the Na+ conductance of the skin glands. Together with this increase in the Na+ efflux a highly significant increase in the water secretion was observed. The water movement (secretion) across the skin was under these conditions coupled to the PGE2-induced efflux of Na+, and when one Na+ was pulled from the basolateral to the apical solution via this pathway 215 molecules of water followed. This must be due to electro-osmosis (friction between ions and water) or current-induced local osmosis. PMID:2356751

  16. Uncertanity Analysis in Parameter Estimation of Coupled Bacteria-Sediment Fate and Transport in Streams

    NASA Astrophysics Data System (ADS)

    Massoudieh, A.; Le, T.; Pachepsky, Y. A.

    2014-12-01

    E. coli is widely used as an fecal indicator bacteria in streams. It has been shown that the interaction between sediments and the bacteria is an important factor in determining its fate and transport in water bodies. In this presentation parameter estimation and uncertainty analysis of a mechanistic model of bacteria-sediment interaction respectively using a hybrid genetic algorithm and Makov-Chain Monte Carlo (MCMC) approach will be presented. The physically-based model considers the advective-dispersive transport of sediments as well as both free-floating and sediment-associated bacteria in the water column and also the fate and transport of bacteria in the bed sediments in a small stream. The bed sediments are treated as a distributed system which allows modeling the evolution of the vertical distribution of bacteria as a result of sedimentation and resuspension, diffusion and bioturbation in the sediments. One-dimensional St. Venant's equation is used to model flow in the stream. The model is applied to sediment and E. coli concentration data collected during a high flow event in a small stream historically receiving agricultural runoff. Measured total suspended sediments and total E. coli concentrations in the water column at three sections of the stream are used for the parameter estimation. The data on the initial distribution of E. coli in the sediments was available and was used as the initial conditions. The MCMC method is used to estimate the joint probability distribution of model parameters including sediment deposition and erosion rates, critical shear stress for deposition and erosion, attachment and detachment rate constants of E. coli to/from sediments and also the effective diffusion coefficients of E. coli in the bed sediments. The uncertainties associated with the estimated parameters are quantified via the MCMC approach and the correlation between the posterior distribution of parameters have been used to assess the model adequacy and

  17. Bioelectrochemical systems-driven directional ion transport enables low-energy water desalination, pollutant removal, and resource recovery.

    PubMed

    Chen, Xi; Liang, Peng; Zhang, Xiaoyuan; Huang, Xia

    2016-09-01

    Bioelectrochemical systems (BESs) are integrated water treatment technologies that generate electricity using organic matter in wastewater. In situ use of bioelectricity can direct the migration of ionic substances in a BES, thereby enabling water desalination, resource recovery, and valuable substance production. Recently, much attention has been placed on the microbial desalination cells in BESs to drive water desalination, and various configurations have optimized electricity generation and desalination performance and also coupled hydrogen production, heavy metal reduction, and other reactions. In addition, directional transport of other types of charged ions can remediate polluted groundwater, recover nutrient, and produce valuable substances. To better promote the practical application, the use of BESs as directional drivers of ionic substances requires further optimization to improve energy use efficiency and treatment efficacy. This article reviews existing researches on BES-driven directional ion transport to treat wastewater and identifies a few key factors involved in efficiency optimization. PMID:26961714

  18. Hierarchical modeling of diffusive transport through nanochannels by coupling molecular dynamics with finite element method

    NASA Astrophysics Data System (ADS)

    Ziemys, A.; Kojic, M.; Milosevic, M.; Kojic, N.; Hussain, F.; Ferrari, M.; Grattoni, A.

    2011-06-01

    We present a successful hierarchical modeling approach which accounts for interface effects on diffusivity, ignored in classical continuum theories. A molecular dynamics derived diffusivity scaling scheme is incorporated into a finite element method to model transport through a nanochannel. In a 5 nm nanochannel, the approach predicts 2.2 times slower mass release than predicted by Fick's law by comparing time spent to release 90% of mass. The scheme was validated by predicting experimental glucose diffusion through a nanofluidic membrane with a correlation coefficient of 0.999. Comparison with experiments through a nanofluidic membrane showed interface effects to be crucial. We show robustness of our discrete continuum model in addressing complex diffusion phenomena in biomedical and engineering applications by providing flexible hierarchical coupling of molecular scale effects and preserving computational finite element method speed.

  19. Secondary fusion coupled deuteron/triton transport simulation and thermal-to-fusion neutron convertor measurement

    SciTech Connect

    Wang, G. B.; Wang, K.; Liu, H. G.; Li, R. D.

    2013-07-01

    A Monte Carlo tool RSMC (Reaction Sequence Monte Carlo) was developed to simulate deuteron/triton transportation and reaction coupled problem. The 'Forced particle production' variance reduction technique was used to improve the simulation speed, which made the secondary product play a major role. The mono-energy 14 MeV fusion neutron source was employed as a validation. Then the thermal-to-fusion neutron convertor was studied with our tool. Moreover, an in-core conversion efficiency measurement experiment was performed with {sup 6}LiD and {sup 6}LiH converters. Threshold activation foils was used to indicate the fast and fusion neutron flux. Besides, two other pivotal parameters were calculated theoretically. Finally, the conversion efficiency of {sup 6}LiD is obtained as 1.97x10{sup -4}, which matches well with the theoretical result. (authors)

  20. Two-scale approach for the coupled heat and moisture transport

    NASA Astrophysics Data System (ADS)

    Kruis, Jaroslav; Krejčí, Tomáš

    2016-06-01

    This paper describes two-level approach for coupled heat and moisture transport in masonry structures. Motivation for two-level description comes from two major difficulties connected with masonry. First, the size of stone blocks is much larger than the size of mortar layers and very fine mesh has to be used. Second, the masonry composition is always random and therefore the concept of representative volume is reasonable. In two-level approach, the macro-scale level deals with a structure while the meso-scale level is concentrated on detailed composition of the masonry. Connection between the macro and meso level will be described. This two-level approach is suitable for parallel computers.

  1. Thermal monitoring of transport infrastructures by infrared thermography coupled with inline local atmospheric conditions survey

    NASA Astrophysics Data System (ADS)

    Dumoulin, J.

    2013-09-01

    An infrared system architecture (software and hardware) has been studied and developed to allow long term monitoring of transport infrastructures in a standalone configuration. It is based on the implementation of low cost infrared thermal cameras (equipped with uncooled microbolometer focal plane array) available on the market coupled with other measurement systems. All data collected feed simplified radiative models running on GPU available on small PC to produce corrected thermal map of the surveyed structure at selected time step. Furthermore, added Web-enabled capabilities of this new infrared measurement system are also presented and discussed. A prototype of this system was tested and evaluated on real infrastructure opened to traffic. Results obtained by image and signal processing are presented. Finally, conclusions and perspectives for new implementation and new functionalities are presented and discussed.

  2. Transport through a strongly coupled graphene quantum dot in perpendicular magnetic field

    PubMed Central

    2011-01-01

    We present transport measurements on a strongly coupled graphene quantum dot in a perpendicular magnetic field. The device consists of an etched single-layer graphene flake with two narrow constrictions separating a 140 nm diameter island from source and drain graphene contacts. Lateral graphene gates are used to electrostatically tune the device. Measurements of Coulomb resonances, including constriction resonances and Coulomb diamonds prove the functionality of the graphene quantum dot with a charging energy of approximately 4.5 meV. We show the evolution of Coulomb resonances as a function of perpendicular magnetic field, which provides indications of the formation of the graphene specific 0th Landau level. Finally, we demonstrate that the complex pattern superimposing the quantum dot energy spectra is due to the formation of additional localized states with increasing magnetic field. PMID:21711781

  3. Lattice Boltzmann technique for heat transport phenomena coupled with melting process

    NASA Astrophysics Data System (ADS)

    Ibrahem, A. M.; El-Amin, M. F.; Mohammadein, A. A.; Gorla, Rama Subba Reddy

    2016-04-01

    In this work, the heat transport phenomena coupled with melting process are studied by using the enthalpy-based lattice Boltzmann method (LBM). The proposed model is a modified version of thermal LB model, where could avoid iteration steps and ensures high accuracy. The Bhatnagar-Gross-Krook (BGK) approximation with a D1Q2 lattice was used to determine the temperature field for one-dimensional melting by conduction and multi-distribution functions (MDF) with D2Q9 lattice was used to determine the density, velocity and temperature fields for two-dimensional melting by natural convection. Different boundary conditions including Dirichlet, adiabatic and bounce-back boundary conditions were used. The influence of increasing Rayleigh number (from 103 to 105) on temperature distribution and melting process is studied. The obtained results show that a good agreement with the analytical solution for melting by conduction case and with the benchmark solution for melting by convection.

  4. Anomalous quantum heat transport in a one-dimensional harmonic chain with random couplings.

    PubMed

    Yan, Yonghong; Zhao, Hui

    2012-07-11

    We investigate quantum heat transport in a one-dimensional harmonic system with random couplings. In the presence of randomness, phonon modes may normally be classified as ballistic, diffusive or localized. We show that these modes can roughly be characterized by the local nearest-neighbor level spacing distribution, similarly to their electronic counterparts. We also show that the thermal conductance G(th) through the system decays rapidly with the system size (G(th) ∼ L(-α)). The exponent α strongly depends on the system size and can change from α < 1 to α > 1 with increasing system size, indicating that the system undergoes a transition from a heat conductor to a heat insulator. This result could be useful in thermal control of low-dimensional systems. PMID:22713930

  5. Universal transport dynamics in a quenched tunnel-coupled Luttinger liquid

    NASA Astrophysics Data System (ADS)

    Gambetta, F. M.; Cavaliere, F.; Citro, R.; Sassetti, M.

    2016-07-01

    The transport dynamics of a quenched Luttinger liquid tunnel-coupled to a fermionic reservoir is investigated. In the transient dynamics, we show that for a sudden quench of the electron interaction universal power-law decay in time of the tunneling current occurs, ascribed to the presence of entangled compound excitations created by the quench. In sharp contrast to the usual nonuniversal power-law behavior of a zero-temperature nonquenched Luttinger liquid, the steady-state tunneling current is Ohmic and can be explained in terms of an effective quench-activated heating of the system. Our study unveils an unconventional dynamics for a quenched Luttinger liquid that could be identified in quenched cold Fermi gases.

  6. Heat Transport in Spin Chains with Weak Spin-Phonon Coupling.

    PubMed

    Chernyshev, A L; Rozhkov, A V

    2016-01-01

    The heat transport in a system of S=1/2 large-J Heisenberg spin chains, describing closely Sr(2)CuO(3) and SrCuO(2) cuprates, is studied theoretically at T≪J by considering interactions of the bosonized spin excitations with optical phonons and defects. Treating rigorously the multiboson processes, we derive a microscopic spin-phonon scattering rate that adheres to an intuitive picture of phonons acting as thermally populated defects for the fast spin excitations. The mean-free path of the latter exhibits a distinctive T dependence reflecting a critical nature of spin chains and gives a close description of experiments. By the naturalness criterion of realistically small spin-phonon interaction, our approach stands out from previous considerations that require large coupling constants to explain the data and thus imply a spin-Peierls transition, absent in real materials. PMID:26799043

  7. Electronic transport in DNA sequences: The role of correlations and inter-strand coupling

    NASA Astrophysics Data System (ADS)

    Albuquerque, E. L.; Lyra, M. L.; de Moura, F. A. B. F.

    2006-10-01

    We investigate the electronic properties in sequences of single and double-strand DNA molecules made up from the nucleotides guanine G, adenine A, cytosine C and thymine T. Using a tight-binding formulation we solve the time-dependent Schrödinger equation to compute the spread of initially localized wave packets. We also compute the localization length in finite segments by employing a Green's function recursion method. We compare the results for the genomic DNA sequence with those of two artificial sequences, namely the quasiperiodic Rudin-Shapiro one, which has long-range correlations, and a intra-strand pair correlated DNA sequence. We found that the short-range character of the intra-strand correlations suffices for a quantitative description of the one-electron wave-packet dynamics in the double-strand real DNA sequences. Further, the inter-strand coupling promotes electronic transport over a longer segment.

  8. Fluctuation-induced transport of two coupled particles: Effect of the interparticle interaction

    NASA Astrophysics Data System (ADS)

    Makhnovskii, Yurii A.; Rozenbaum, Viktor M.; Sheu, Sheh-Yi; Yang, Dah-Yen; Trakhtenberg, Leonid I.; Lin, Sheng Hsien

    2014-06-01

    We consider a system of two coupled particles fluctuating between two states, with different interparticle interaction potentials and particle friction coefficients. An external action drives the interstate transitions that induces reciprocating motion along the internal coordinate x (the interparticle distance). The system moves unidirectionally due to rectification of the internal motion by asymmetric friction fluctuations and thus operates as a dimeric motor that converts input energy into net movement. We focus on how the law of interaction between the particles affects the dimer transport and, in particular, the role of thermal noise in the motion inducing mechanism. It is argued that if the interaction potential behaves at large distances as xα, depending on the value of the exponent α, the thermal noise plays a constructive (α > 2), neutral (α = 2), or destructive (α < 2) role. In the case of α = 1, corresponding piecewise linear potential profiles, an exact solution is obtained and discussed in detail.

  9. TART97 a coupled neutron-photon 3-D, combinatorial geometry Monte Carlo transport code

    SciTech Connect

    Cullen, D.E.

    1997-11-22

    TART97 is a coupled neutron-photon, 3 Dimensional, combinatorial geometry, time dependent Monte Carlo transport code. This code can on any modern computer. It is a complete system to assist you with input preparation, running Monte Carlo calculations, and analysis of output results. TART97 is also incredibly FAST; if you have used similar codes, you will be amazed at how fast this code is compared to other similar codes. Use of the entire system can save you a great deal of time and energy. TART97 is distributed on CD. This CD contains on- line documentation for all codes included in the system, the codes configured to run on a variety of computers, and many example problems that you can use to familiarize yourself with the system. TART97 completely supersedes all older versions of TART, and it is strongly recommended that users only use the most recent version of TART97 and its data riles.

  10. Dynamic simulation of multicomponent reaction transport in water distribution systems.

    PubMed

    Munavalli, G R; Mohan Kumar, M S M S

    2004-04-01

    Given the presence of nutrients, regrowth of bacteria within a distribution system is possible. The bacterial growth phenomena, which can be studied by developing a multicomponent (substrate, biomass and disinfectant) reaction transport model, is governed by its relationship with the substrate (organic carbon) and disinfectant (chlorine). The multicomponent reaction transport model developed in the present study utilizes the simplified expressions for the basic processes (in bulk flow and at pipe wall) such as bacterial growth and decay, attachment to and detachment from the surface, substrate utilization and disinfectant action involved in the model. The usefulness of the model is further enhanced by the incorporation of an expression for bulk reaction parameter relating it with the organic carbon. The model is validated and applied to study the sensitive behavior of the components using a hypothetical network. The developed model is able to simulate the biodegradable organic carbon threshold in accordance with the values reported in the literature. The spread of contaminant intruded into the system at any location can also be simulated by the model. The multicomponent model developed is useful for water supply authorities in identifying the locations with high substrate concentrations, bacterial growth and lower chlorine residuals. PMID:15087178

  11. Biocolloid transport in water saturated columns packed with sand

    NASA Astrophysics Data System (ADS)

    Syngouna, V. I.; Chrysikopoulos, C.

    2010-12-01

    Protection of groundwater supplies from microbial contamination necessitates a solid understanding of the factors controlling the migration and retention of pathogenic organisms (biocolloids) in the subsurface. The transport behavior of three waterborne pathogens (Escherichia coli, MS2, and ΦΧ174) was investigated using laboratory-scale columns packed with clean quartz sand. Various grain sizes and pore water velocities were examined. Though coliform bacteria and coliphages are used worldwide to indicate fecal pollution of groundwater, the various parameters controlling the transport of Escherichia coli MS2 and ΦΧ174 in the subsurface are not fully understood. In this study, the attachment behavior of Escherichia coli, MS2, and ΦΧ174 onto ultra-pure quartz sand were evaluated. The mass recoveries of the three biocolloids examined were found to be proportional to the sand size. The observed mass recoveries were in the order: Escherichia coli > ΦΧ174 > MS2. To assess the importance of biocolloid attachment, the single collector removal efficiency, and the collision efficiency were quantified using the classical colloid filtration theory. Our results indicate that the secondary energy minimum plays an important role in biocolloid deposition even for smaller biocolloid particles (e.g. viruses).

  12. Experimental Study of Water Transport through Hydrophilic Nanochannels

    NASA Astrophysics Data System (ADS)

    Alibakhshi, Mohammad Amin; Xie, Quan; Li, Yinxiao; Duan, Chuanhua

    2015-11-01

    In this paper, we investigate one of the fundamental aspects of Nanofluidics, which is the experimental study of water transport through nanoscale hydrophilic conduits. A new method based on spontaneous filling and a novel hybrid nanochannel design is developed to measure the pure mass flow resistance of single nanofluidic channels/tubes. This method does not require any pressure and flow sensors and also does not rely on any theoretical estimations, holding the potential to be standards for nanofluidic flow characterization. We have used this method to measure the pure mass flow resistance of single 2-D hydrophilic silica nanochannels with heights down to 7 nm. Our experimental results quantify the increased mass flow resistance as a function of nanochannel height, showing a 45% increase for a 7nm channel compared with classical hydrodynamics, and suggest that the increased resistance is possibly due to formation of a 7-angstrom-thick stagnant hydration layer on the hydrophilic surfaces. It has been further shown that this method can reliably measure a wide range of pure mass flow resistances of nanoscale conduits, and thus is promising for advancing studies of liquid transport in hydrophobic graphene nanochannels, CNTs, as well as nanoporous media. The work is supported by the American Chemical Society Petroleum Research Fund (ACS PRF # 54118-DNI7) and the Faculty Startup Fund (Boston University, USA).

  13. How Does Leaf Anatomy Influence Water Transport outside the Xylem?

    PubMed

    Buckley, Thomas N; John, Grace P; Scoffoni, Christine; Sack, Lawren

    2015-08-01

    Leaves are arguably the most complex and important physicobiological systems in the ecosphere. Yet, water transport outside the leaf xylem remains poorly understood, despite its impacts on stomatal function and photosynthesis. We applied anatomical measurements from 14 diverse species to a novel model of water flow in an areole (the smallest region bounded by minor veins) to predict the impact of anatomical variation across species on outside-xylem hydraulic conductance (Kox). Several predictions verified previous correlational studies: (1) vein length per unit area is the strongest anatomical determinant of Kox, due to effects on hydraulic pathlength and bundle sheath (BS) surface area; (2) palisade mesophyll remains well hydrated in hypostomatous species, which may benefit photosynthesis, (3) BS extensions enhance Kox; and (4) the upper and lower epidermis are hydraulically sequestered from one another despite their proximity. Our findings also provided novel insights: (5) the BS contributes a minority of outside-xylem resistance; (6) vapor transport contributes up to two-thirds of Kox; (7) Kox is strongly enhanced by the proximity of veins to lower epidermis; and (8) Kox is strongly influenced by spongy mesophyll anatomy, decreasing with protoplast size and increasing with airspace fraction and cell wall thickness. Correlations between anatomy and Kox across species sometimes diverged from predicted causal effects, demonstrating the need for integrative models to resolve causation. For example, (9) Kox was enhanced far more in heterobaric species than predicted by their having BS extensions. Our approach provides detailed insights into the role of anatomical variation in leaf function. PMID:26084922

  14. [Coupling effects of water and chemical fertilizers on Hevea brasiliensis latex yield].

    PubMed

    Hua, Yuan-Gang; Chen, Qiu-Bo; Lin, Zhao-Mu; Luo, Wei

    2008-06-01

    Water and nutrient are the two main factors limiting Hevea brasiliensis growth and its latex yield. With 17 year-old Clone SCATC 7-33-97 H. brasiliensis as test material, the coupling effects of water and chemical N, P and K fertilizers on latex yield were studied by general orthogonal rotation design of quadratic regression with four factors and five levels under field condition, and a regressive mathematical model was set up based on the latex yield by quadratic regression analysis. The results showed that all test coupling levels of water and chemical fertilizers had significant effects on the latex yield. The yield-increasing effect of test factors was in the order of N application rate > irrigation amount > P application rate > K application rate, while the coupling effect of water and chemical fertilizers was in the sequence of water and N > N and P > water and P > water and K. There was a negative coupling effect of K application rate and soil moisture content. For latex yield, the optimum application rates of chemical fertilizers were 476.39 kg x hm(-2) of urea, 187.70 kg x hm(-2) of superphosphate and 225.77 kg x hm(-2) of potassium chloride, and the optimum irrigation amount was to have 82.78% soil relative water content. PMID:18808010

  15. Influence of coupling of sorption and photosynthetic processes on trace element cycles in natural waters

    USGS Publications Warehouse

    Fuller, C.C.; Davis, J.A.

    1989-01-01

    Chemical and biological processes have important roles in the transport and cycling of trace elements in natural waters, but their complex interactions are often not well understood. Trace-element concentrations may, for example, be controlled by adsorption-desorption reactions at mineral surfaces, with the equilibrium strongly influenced by pH. Variations in pH due to photosynthetic activity should result in concentration fluctuations as the adsorption-desorption equilibrium shifts with pH. To investigate these interactions, we have studied the effect of diurnal cycling of pH on dissolved arsenate in a perennial stream contaminated with arsenic. As expected, a diurnal cycle in arsenate concentration was observed, but surprisingly, the arsenate cycle lags several hours behind the pH cycle. Laboratory experiments show that the lag results from a slow approach to sorption equilibrium. Our observations demonstrate that the coupling of photosynthesis and sorption processes may have an important influence on the cycling of many trace elements and emphasize the importance of understanding sorption kinetics in modelling these processes.

  16. NBCe1 as a Model Carrier for Understanding the Structure-Function Properties of Na+-Coupled SLC4 Transporters in Health and Disease

    PubMed Central

    Kurtz, Ira

    2014-01-01

    SLC4 transporters are membrane proteins that in general mediate the coupled transport of bicarbonate (carbonate) and share amino acid sequence homology. These proteins differ as to whether they also transport Na+ and/or Cl−, in addition to their charge transport stoichiometry, membrane targeting, substrate affinities, developmental expression, regulatory motifs, and protein-protein interactions. These differences account in part for the fact that functionally, SLC4 transporters have various physiological roles in mammals including transepithelial bicarbonate transport, intracellular pH regulation, transport of Na+ and/or Cl−, and possibly water. Bicarbonate transport is not unique to the SLC4 family since the structurally unrelated SLC26 family has at least three proteins that mediate Cl−-HCO3− exchange. The present review focuses on the first of the sodium-dependent SLC4 transporters that was identified whose structure has been most extensively studied: the electrogenic Na+-base cotransporter NBCe1. Mutations in NBCe1 cause proximal renal tubular acidosis (pRTA) with neurologic and ophthalmologic extrarenal manifestations. Recent studies have characterized important structure-function properties of the transporter and how they are perturbed as a result of mutations that cause pRTA. It has become increasingly apparent that the structure of NBCe1 differs in several key features from the SLC4 Cl−-HCO3− exchanger AE1 whose structural properties have been well-studied. In this review, the structure-function properties and regulation of NBCe1 will be highlighted and its role in health and disease will be reviewed in detail. PMID:24515290

  17. Transport of water into the lower mantle: Role of stishovite

    SciTech Connect

    Panero, W.R.; Benedetti, L.R.; Jeanloz, R.

    2010-12-01

    When subjected to lower-mantle pressures and temperatures, natural 'anhydrous' basalt containing 0.2 wt.% H{sub 2}O forms a phase assemblage in which SiO{sub 2} stishovite is a significant carrier of hydrogen (up to 500 ppm H{sub 2}O by weight, as hydroxide), whereas the coexisting (Mg, Fe, Al, Ca)SiO{sub 3} perovskite appears to be not (upper bound of 50 ppm (wt) H{sub 2}O). Contrary to the devolatilization characteristically observed at lower pressures, we find that the abundance of H{sub 2}O in residual stishovite increases from {approx}100 to {approx}400 ppm by weight upon partially melting the high-pressure mineral assemblage at 28-60 GPa. We infer that the trace concentration of Al within residual stishovite increases upon partial melting, thereby increasing the coupled abundance of H in this crystalline phase. The 'anhydrous' component of subducted oceanic crust can thus recycle a significant amount of water into the lower mantle over the age of the Earth, with subducted stishovite potentially returning {approx} 10{sup 2} times the amount of water present in today's atmosphere.

  18. DYNAMICS OF WATER TRANSPORT AND STORAGE IN CONIFERS STUDIED WITH DEUTERIUM AND HEAT TRACING TECHNIQUES

    EPA Science Inventory

    The volume and complexity of their vascular systems make the dynamics of long-distance water transport difficult to study. We used heat and deuterated water (D2O) as tracers to characterize whole-tree water transport and storage properties in individual trees belonging to the co...

  19. Coupled modelling of subsurface water flux for an integrated flood risk management

    NASA Astrophysics Data System (ADS)

    Sommer, T.; Karpf, C.; Ettrich, N.; Haase, D.; Weichel, T.; Peetz, J.-V.; Steckel, B.; Eulitz, K.; Ullrich, K.

    2009-07-01

    Flood events cause significant damage not only on the surface but also underground. Infiltration of surface water into soil, flooding through the urban sewer system and, in consequence, rising groundwater are the main causes of subsurface damage. The modelling of flooding events is an important part of flood risk assessment. The processes of subsurface discharge of infiltrated water necessitate coupled modelling tools of both, surface and subsurface water fluxes. Therefore, codes for surface flooding, for discharge in the sewerage system and for groundwater flow were coupled with each other. A coupling software was used to amalgamate the individual programs in terms of mapping between the different model geometries, time synchronization and data exchange. The coupling of the models was realized on two scales in the Saxon capital of Dresden (Germany). As a result of the coupled modelling it could be shown that surface flooding dominates processes of any flood event. Compared to flood simulations without coupled modelling no substantial changes of the surface inundation area could be determined. Regarding sewerage, the comparison between the influx of groundwater into sewerage and the loading due to infiltration by flood water showed infiltration of surface flood water to be the main reason for sewerage overloading. Concurrent rainfalls can intensify the problem. The infiltration of the sewerage system by rising groundwater contributes only marginally to the loading of the sewerage and the distribution of water by sewerage has only local impacts on groundwater rise. However, the localization of risk areas due to rising groundwater requires the consideration of all components of the subsurface water fluxes. The coupled modelling has shown that high groundwater levels are the result of a multi-causal process that occurs before and during the flood event.

  20. KCNQ1, KCNE2, and Na+-Coupled Solute Transporters Form Reciprocally Regulating Complexes that Affect Neuronal Excitability

    PubMed Central

    Abbott, Geoffrey W.; Tai, Kwok-Keung; Neverisky, Daniel; Hansler, Alex; Hu, Zhaoyang; Roepke, Torsten K.; Lerner, Daniel J.; Chen, Qiuying; Liu, Li; Zupan, Bojana; Toth, Miklos; Haynes, Robin; Huang, Xiaoping; Demirbas, Didem; Buccafusca, Roberto; Gross, Steven S.; Kanda, Vikram A.; Berry, Gerard T.

    2014-01-01

    Na+-coupled solute transport is crucial for the uptake of nutrients and metabolic precursors, such as myo-inositol, an important osmolyte and precursor for various cell signaling molecules. Here, we found that various solute transporters and potassium channel subunits formed complexes and reciprocally regulated each other in vitro and in vivo. Global metabolite profiling revealed that mice lacking KCNE2, a K+ channel β subunit, showed a reduction in the myo-inositol concentration in cerebrospinal fluid (CSF) but not in serum. Increased behavorial responsiveness to stress and seizure susceptibility in Kcne2−/− mice were alleviated by injections of myo-inositol. Suspecting a defect in myo-inositol transport, we found that KCNE2 and KCNQ1, a voltage-gated potassium channel α subunit, colocalized and coimmunoprecipitated with SMIT1, a Na+-coupled myo-inositol transporter, in the choroid plexus epithelium. Heterologous coexpression demonstrated that myo-inositol transport by SMIT1 was augmented by coexpression of KCNQ1 but inhibited by coexpression of both KCNQ1 and KCNE2, which form a constitutively active, heteromeric K+ channel. SMIT1 and the related transporter SMIT2 were also inhibited by a constitutively active mutant form of KCNQ1. The activity of KCNQ1 and KCNQ1-KCNE2 were augmented by SMIT1 and the glucose transporter SGLT1, but suppressed by SMIT2. Channel-transporter signaling complexes may be a widespread mechanism to facilitate solute transport and electrochemical crosstalk. PMID:24595108

  1. The Role of Plant Water Storage on Water Fluxes within the Coupled Soil-Plant-Atmosphere System

    NASA Astrophysics Data System (ADS)

    Huang, C. W.; Duman, T.; Parolari, A.; Katul, G. G.

    2015-12-01

    Plant water storage (PWS) contributes to whole-plant transpiration (up to 50%), especially in large trees and during severe drought conditions. PWS also can impact water-carbon economy as well as the degree of resistance to drought. A 1-D porous media model is employed to accommodate transient water flow through the plant hydraulic system. This model provides a mechanistic representation of biophysical processes constraining water transport, accounting for plant hydraulic architecture and the nonlinear relation between stomatal aperture and leaf water potential when limited by soil water availability. Water transport within the vascular system from the stem base to the leaf-lamina is modeled using Richards's equation, parameterized with the hydraulic properties of the plant tissues. For simplicity, the conducting flow in the radial direction is not considered here and the capacitance at the leaf-lamina is assumed to be independent of leaf water potential. The water mass balance in the leaf lamina sets the upper boundary condition for the flow system, which links the leaf-level transpiration to the leaf water potential. Thus, the leaf-level gas exchange can be impacted by soil water availability through the water potential gradient from the leaf lamina to the soil, and vice versa. The root water uptake is modeled by a multi-layered macroscopic scheme to account for possible hydraulic redistribution (HR) in certain conditions. The main findings from the model calculations are that (1) HR can be diminished by the residual water potential gradient from roots to leaves at night due to aboveground capacitance, tree height, nocturnal transpiration or the combination of the three. The degree of reduction depends on the magnitude of residual water potential gradient; (2) nocturnal refilling to PWS elevates the leaf water potential that subsequently delays the onset of drought stress at the leaf; (3) Lifting water into the PWS instead of HR can be an advantageous strategy

  2. Non-Hermitian-transport effects in coupled-resonator optical waveguides

    NASA Astrophysics Data System (ADS)

    Schomerus, Henning; Wiersig, Jan

    2014-11-01

    Coupled-resonator optical waveguides are known to have interesting and useful dispersion properties. Here, we study the transport in these waveguides in the general case where each resonator is open and asymmetric, i.e., is leaky and possesses no mirror-reflection symmetry. Each individual resonator then exhibits asymmetric backscattering between clockwise- and counterclockwise-propagating waves, which, in combination with the losses, induces nonorthogonal eigenmodes. In a chain of such resonators, the coupling between the resonators induces an additional source of non-Hermiticity, and a complex band structure arises. We show that in this situation the group velocity of wave packets differs from the velocity associated with the probability density flux, with the difference arising from a non-Hermitian correction to the Hellmann-Feynman theorem. Exploring these features numerically in a realistic scenario, we find that the complex band structure comprises almost-real branches and complex branches, which are joined by exceptional points, i.e., non-Hermitian degeneracies at which not only the frequencies and decay rates but also the eigenmodes themselves coalesce. The non-Hermitian corrections to the group velocity are largest in the regions around the exceptional points.

  3. Enhancing the ballistic thermal transport of silicene through smooth interface coupling.

    PubMed

    Chen, Chao-Yu; She, Yanchao; Xiao, Huaping; Ding, Jianwen; Cao, Juexian; Guo, Zhi-Xin

    2016-04-13

    We have performed nonequilibrium molecular dynamics calculations on the length (L) dependence of thermal conductivity (Κ) of silicene both supported on and sandwiched between the smooth surfaces, i.e. h-BN, at room temperature. We find that Κ of silicene follows a power law Κ [proportional] L(β), with β increasing from about 0.3-0.4 under the effect of interface coupling, showing an enhancement of the ballistic thermal transport of silicene. We also find that β can be further increased to about 0.6 by increasing the interface coupling strength for the silicene sandwiched between h-BN. The increase of β for the supported case is found to come from the variation of the flexural acoustic (ZA) phonon mode and the first optical phonon mode induced by the substrate, whereas the unusual increase of β for the sandwiched case is attributed to the increment of velocities of all three acoustic phonon modes. These findings provide an interesting route for manipulating the ballistic energy flow in nanomaterials. PMID:26965319

  4. Single-photon transport through an atomic chain coupled to a one-dimensional nanophotonic waveguide

    NASA Astrophysics Data System (ADS)

    Liao, Zeyang; Zeng, Xiaodong; Zhu, Shi-Yao; Zubairy, M. Suhail

    2015-08-01

    We study the dynamics of a single-photon pulse traveling through a linear atomic chain coupled to a one-dimensional (1D) single mode photonic waveguide. We derive a time-dependent dynamical theory for this collective many-body system which allows us to study the real time evolution of the photon transport and the atomic excitations. Our analytical result is consistent with previous numerical calculations when there is only one atom. For an atomic chain, the collective interaction between the atoms mediated by the waveguide mode can significantly change the dynamics of the system. The reflectivity of a photon can be tuned by changing the ratio of coupling strength and the photon linewidth or by changing the number of atoms in the chain. The reflectivity of a single-photon pulse with finite bandwidth can even approach 100 % . The spectrum of the reflected and transmitted photon can also be significantly different from the single-atom case. Many interesting physical phenomena can occur in this system such as the photonic band-gap effects, quantum entanglement generation, Fano-like interference, and superradiant effects. For engineering, this system may serve as a single-photon frequency filter, single-photon modulation, and may find important applications in quantum information.

  5. Multi-directional Spin Transport at Interfaces with Spin-Orbit Coupling

    NASA Astrophysics Data System (ADS)

    Amin, Vivek; Stiles, Mark

    Spin transport remains poorly understood in multilayer systems with interfacial spin-orbit coupling. Currently, drift-diffusion models cannot accurately treat this phenomenon, since the important consequences of interfacial spin-orbit scattering remain uncharacterized in a systematic way. Here we present boundary conditions suitable for drift-diffusion models that capture the phenomenology of interfacial spin-orbit coupling. To access their viability we compare solutions of the drift-diffusion and Boltzmann equations in a Co/Pt bilayer, since the latter approach yields a momentum-dependent distribution function equipped to describe spin-orbit scattering. A key result is that in-plane electric fields create spin accumulations and spin currents polarized in all directions, which describes a generalization of the Rashba-Edelstein and spin Hall effects. In heavy metal/ferromagnet bilayers, this phenomenon provides a mechanism for the creation of damping-like and field-like torques; it also leads to possible reinterpretations of experiments in which interfacial torques are thought to be suppressed. We discuss the interpretation of experiments involving spin orbit torque, spin pumping/memory loss, the Rashba-Edelstein effect, and the spin Hall magnetoresistance.

  6. Enhancing the ballistic thermal transport of silicene through smooth interface coupling

    NASA Astrophysics Data System (ADS)

    Chen, Chao-Yu; She, Yanchao; Xiao, Huaping; Ding, Jianwen; Cao, Juexian; Guo, Zhi-Xin

    2016-04-01

    We have performed nonequilibrium molecular dynamics calculations on the length (L ) dependence of thermal conductivity (K ) of silicene both supported on and sandwiched between the smooth surfaces, i.e. h-BN, at room temperature. We find that K of silicene follows a power law K\\propto {{L}β} , with β increasing from about 0.3-0.4 under the effect of interface coupling, showing an enhancement of the ballistic thermal transport of silicene. We also find that β can be further increased to about 0.6 by increasing the interface coupling strength for the silicene sandwiched between h-BN. The increase of β for the supported case is found to come from the variation of the flexural acoustic (ZA) phonon mode and the first optical phonon mode induced by the substrate, whereas the unusual increase of β for the sandwiched case is attributed to the increment of velocities of all three acoustic phonon modes. These findings provide an interesting route for manipulating the ballistic energy flow in nanomaterials.

  7. COUPLING

    DOEpatents

    Frisch, E.; Johnson, C.G.

    1962-05-15

    A detachable coupling arrangement is described which provides for varying the length of the handle of a tool used in relatively narrow channels. The arrangement consists of mating the key and keyhole formations in the cooperating handle sections. (AEC)

  8. Lifetime Prediction of Polyethylene Pipes Transporting Drinking Water in the Presence of Chlorine Dioxide

    NASA Astrophysics Data System (ADS)

    Colin, X.; Audouin, L.; Verdu, J.

    2008-08-01

    A kinetic model for lifetime prediction of polyethylene pipes transporting pressurized water disinfected by chlorine dioxide (DOC) has been elaborated. This model is composed of three sub-models: —A system of differential equations, derived from a realistic mechanistic scheme for radical chain oxidation in the presence of DOC of stabilized polyethylene (PE), giving access to the spatial distribution of structural changes in the pipe wall and its evolution against time of exposure; —The classical Saito's equation to predict the profiles of average molar masses from the spatial distribution of chain scissions and crosslinking events; —An empirical creep equation and an empirical fracture criterion derived from regression curves obtained in pure water. It is assumed that chemical degradation modifies only the time to transition tc between ductile and brittle regimes of failure, and that tc is linked to the weight average molar mass by a power law. By combining these three sub-models, it is possible to predict the time to failure tF under the coupled effects of pressure and chemical degradation. In current use conditions (under 3-12 bars water pressure, at 15 °C, in the presence of 0.15 mg of DOC per liter of water), the model predicts a tF of the order of 15 years against more than 50 years expected lifetime, that agrees well with experimental results.

  9. Novel macrocyclic carriers for proton-coupled liquid membrane transport. Final report

    SciTech Connect

    Lamb, J.D.; Izatt, R.M.; Bradshaw, J.S.; Shirts, R.B.

    1996-08-24

    The objective of this research program is to elucidate the chemical principles which are responsible for the cation selectivity and permeability of liquid membranes containing macrocyclic carriers. Several new macrocyclic carriers were synthesized during the last three year period. In addition, new, more convenient synthetic routes were achieved for several nitrogen-containing bicyclic and tricyclic macrocycles. The cation binding properties of these macrocycles were investigated by potentiometric titration, calorimetric titration, solvent extraction and NMR techniques. In addition, hydrophobic macrocycles were incorporated into dual hollow fiber and other membrane systems to investigate their membrane performance, especially in the proton-coupled transport mode. A study of the effect of methoxyalkyl macrocycle substituents on metal ion transport was completed. A new calorimeter was constructed which made it possible to study the thermodynamics of macrocycle-cation binding to very high temperatures. Measurements of thermodynamic data for the interaction of crown ethers with alkali and alkaline earth cations were achieved to 473 K. Molecular modeling work was begun for the first time on this project and fundamental principles were identified and developed for the establishment of working models in the future.

  10. The dissipated energy of electrode surfaces: Temperature jumps from coupled transport processes

    SciTech Connect

    Bedeaux, D.; Ratkje, S.K.

    1996-03-01

    Nonequilibrium thermodynamics for surfaces has been applied to the electrode surfaces of an electrochemical cell. It is shown that the temperature of the surface differs from that of the adjacent electrolyte and electrode, and that a temperature jump exists across the surface. mathematical expressions are derived for the temperature profiles of two cells at steady-state conditions. Methods for estimating transport coefficients for the coupled transport processes at the electrode surface are discussed. Possible numerical results for the temperature profile, the overpotential, and the dissipated energy are reported. The results reflect the relative importance of heat conductivities, electric conductivities, and the Peltier coefficients for the electrode surface phenomena in combination with bulk properties. Significant temperature jumps may occur at normal electrolysis conditions 10{sup 3} to 10{sup 4} A/m, and for temperature jump coefficients which are smaller than 10{sup 3} J/s K{sup 2} m{sup 2}. The overpotential may have contributions from the Peltier coefficients for the surface larger than the ohmic contribution. The method of analysis gives new information useful for heat control of electrochemical cells, electrode kinetic studies, and interpretation of overpotentials.

  11. Suppression of Baryon Diffusion and Transport in a Baryon Rich Strongly Coupled Quark-Gluon Plasma

    NASA Astrophysics Data System (ADS)

    Rougemont, Romulo; Noronha, Jorge; Noronha-Hostler, Jacquelyn

    2015-11-01

    Five dimensional black hole solutions that describe the QCD crossover transition seen in (2 +1 ) -flavor lattice QCD calculations at zero and nonzero baryon densities are used to obtain predictions for the baryon susceptibility, baryon conductivity, baryon diffusion constant, and thermal conductivity of the strongly coupled quark-gluon plasma in the range of temperatures 130 MeV ≤T ≤300 MeV and baryon chemical potentials 0 ≤μB≤400 MeV . Diffusive transport is predicted to be suppressed in this region of the QCD phase diagram, which is consistent with the existence of a critical end point at larger baryon densities. We also calculate the fourth-order baryon susceptibility at zero baryon chemical potential and find quantitative agreement with recent lattice results. The baryon transport coefficients computed in this Letter can be readily implemented in state-of-the-art hydrodynamic codes used to investigate the dense QGP currently produced at RHIC's low energy beam scan.

  12. Functional elements in the minimal promoter of the human proton-coupled folate transporter

    SciTech Connect

    Stark, Michal; Gonen, Nitzan; Assaraf, Yehuda G.

    2009-10-09

    The proton-coupled folate transporter (PCFT) is the dominant intestinal folate transporter, however, its promoter has yet to be revealed. Hence, we here cloned a 3.1 kb fragment upstream to the first ATG of the human PCFT gene and generated sequential deletion constructs evaluated in luciferase reporter assay. This analysis mapped the minimal promoter to 157 bp upstream to the first ATG. Crucial GC-box sites were identified within the minimal promoter and in its close vicinity which substantially contribute to promoter activity, as their disruption resulted in 94% loss of luciferase activity. We also identified upstream enhancer elements including YY1 and AP1 which, although distantly located, prominently transactivated the minimal promoter, as their inactivation resulted in 50% decrease in reporter activity. This is the first functional identification of the minimal PCFT promoter harboring crucial GC-box elements that markedly contribute to its transcriptional activation via putative interaction with distal YY1 and AP1 enhancer elements.

  13. Majorana transport in superconducting nanowire with Rashba and Dresselhaus spin-orbit couplings

    NASA Astrophysics Data System (ADS)

    You, Jiabin; Shao, Xiao-Qiang; Tong, Qing-Jun; Chan, A. H.; Oh, C. H.; Vedral, Vlatko

    The tunneling experiment is a key technique for detecting Majorana fermion (MF) in solid state systems. We use Keldysh non-equilibrium Green function method to study two-lead tunneling in