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Sample records for kinetics mass transport

  1. Advances in Studies of Electrode Kinetics and Mass Transport in AMTEC Cells (abstract)

    NASA Technical Reports Server (NTRS)

    Williams, R. M.; Jeffries-Nakamura, B.; Ryan, M. A.; Underwood, M. L.; Kisor, A.; O'Connor, D.; Kikkert, S.

    1993-01-01

    Previous work reported from JPL has included characterization of electrode kinetics and alkali atom transport from electrodes including Mo, W, WRh(sub x), WPt(sub x)(Mn), in sodium AMTEC cells and vapor exposure cells, and Mo in potassium vapor exposure cells. These studies were generally performed in cells with small area electrodes (about 1 to 5 cm(sup 2)), and device geometry had little effect on transport. Alkali diffusion coefficients through these electrodes have been characterized, and approximate surface diffusion coefficients derived in cases of activated transport. A basic model of electrode kinetic at the alkali metal vapor/porous metal electrode/alkali beta'-alumina solid electrolyte three phase boundary has been proposed which accounts for electrochemical reaction rates with a collision frequency near the three phase boundary and tunneling from the porous electrode partially covered with adsorbed alkali metal atoms. The small electrode effect in AMTEC cells has been discussed in several papers, but quantitative investigations have described only the overall effect and the important contribution of electrolyte resistance. The quantitative characterization of transport losses in cells with large area electrodes has been limited to simulations of large area electrode effects, or characterization of transport losses from large area electrodes with significant longitudinal temperature gradients. This paper describes new investigations of electrochemical kinetics and transport, particularily with WPt(sub 3.5) electrodes, including the influence of electrode size on the mass transport loss in the AMTEC cell. These electrodes possess excellent sodium transport properties making verification of device limitations on transport much more readily attained.

  2. MASS TRANSPORT EFFECTS ON THE KINETICS OF NITROBENZENE REDUCTION BY IRON METAL. (R827117)

    EPA Science Inventory

    To evaluate the importance of external mass transport on the overall rates of
    contaminant reduction by iron metal (Fe0), we have compared measured
    rates of surface reaction for nitrobenzene (ArNO2) to estimated rates
    of external mass transport...

  3. Real-time monitoring of mass-transport-related enzymatic reaction kinetics in a nanochannel-array reactor.

    PubMed

    Li, Su-Juan; Wang, Chen; Wu, Zeng-Qiang; Xu, Jing-Juan; Xia, Xing-Hua; Chen, Hong-Yuan

    2010-09-01

    To understand the fundamentals of enzymatic reactions confined in micro-/nanosystems, the construction of a small enzyme reactor coupled with an integrated real-time detection system for monitoring the kinetic information is a significant challenge. Nano-enzyme array reactors were fabricated by covalently linking enzymes to the inner channels of a porous anodic alumina (PAA) membrane. The mechanical stability of this nanodevice enables us to integrate an electrochemical detector for the real-time monitoring of the formation of the enzyme reaction product by sputtering a thin Pt film on one side of the PAA membrane. Because the enzymatic reaction is confined in a limited nanospace, the mass transport of the substrate would influence the reaction kinetics considerably. Therefore, the oxidation of glucose by dissolved oxygen catalyzed by immobilized glucose oxidase was used as a model to investigate the mass-transport-related enzymatic reaction kinetics in confined nanospaces. The activity and stability of the enzyme immobilized in the nanochannels was enhanced. In this nano-enzyme reactor, the enzymatic reaction was controlled by mass transport if the flux was low. With an increase in the flux (e.g., >50 microL min(-1)), the enzymatic reaction kinetics became the rate-determining step. This change resulted in the decrease in the conversion efficiency of the nano-enzyme reactor and the apparent Michaelis-Menten constant with an increase in substrate flux. This nanodevice integrated with an electrochemical detector could help to understand the fundamentals of enzymatic reactions confined in nanospaces and provide a platform for the design of highly efficient enzyme reactors. In addition, we believe that such nanodevices will find widespread applications in biosensing, drug screening, and biochemical synthesis.

  4. Ozone-surface interactions: Investigations of mechanisms, kinetics, mass transport, and implications for indoor air quality

    SciTech Connect

    Morrison, Glenn C.

    1999-12-01

    In this dissertation, results are presented of laboratory investigations and mathematical modeling efforts designed to better understand the interactions of ozone with surfaces. In the laboratory, carpet and duct materials were exposed to ozone and measured ozone uptake kinetics and the ozone induced emissions of volatile organic compounds. To understand the results of the experiments, mathematical methods were developed to describe dynamic indoor aldehyde concentrations, mass transport of reactive species to smooth surfaces, the equivalent reaction probability of whole carpet due to the surface reactivity of fibers and carpet backing, and ozone aging of surfaces. Carpets, separated carpet fibers, and separated carpet backing all tended to release aldehydes when exposed to ozone. Secondary emissions were mostly n-nonanal and several other smaller aldehydes. The pattern of emissions suggested that vegetable oils may be precursors for these oxidized emissions. Several possible precursors and experiments in which linseed and tung oils were tested for their secondary emission potential were discussed. Dynamic emission rates of 2-nonenal from a residential carpet may indicate that intermediate species in the oxidation of conjugated olefins can significantly delay aldehyde emissions and act as reservoir for these compounds. The ozone induced emission rate of 2-nonenal, a very odorous compound, can result in odorous indoor concentrations for several years. Surface ozone reactivity is a key parameter in determining the flux of ozone to a surface, is parameterized by the reaction probability, which is simply the probability that an ozone molecule will be irreversibly consumed when it strikes a surface. In laboratory studies of two residential and two commercial carpets, the ozone reaction probability for carpet fibers, carpet backing and the equivalent reaction probability for whole carpet were determined. Typically reaction probability values for these materials were 10

  5. High energy efficiency and high power density proton exchange membrane fuel cells: Electrode kinetics and mass transport

    NASA Technical Reports Server (NTRS)

    Srinivasan, Supramaniam; Velev, Omourtag A.; Parthasathy, Arvind; Manko, David J.; Appleby, A. John

    1991-01-01

    The development of proton exchange membrane (PEM) fuel cell power plants with high energy efficiencies and high power densities is gaining momentum because of the vital need of such high levels of performance for extraterrestrial (space, underwater) and terrestrial (power source for electric vehicles) applications. Since 1987, considerable progress has been made in achieving energy efficiencies of about 60 percent at a current density of 200 mA/sq cm and high power densities (greater than 1 W/sq cm) in PEM fuel cells with high (4 mg/sq cm) or low (0.4 mg/sq cm) platinum loadings in electrodes. The following areas are discussed: (1) methods to obtain these high levels of performance with low Pt loading electrodes - by proton conductor impregnation into electrodes, localization of Pt near front surface; (2) a novel microelectrode technique which yields electrode kinetic parameters for oxygen reduction and mass transport parameters; (3) demonstration of lack of water transport from anode to cathode; (4) modeling analysis of PEM fuel cell for comparison with experimental results and predicting further improvements in performance; and (5) recommendations of needed research and development for achieving the above goals.

  6. [Kinetics of the transport of substances with various molecular weights from the blood into the lymph of the lungs (the role of transendothelial and interstitial mass transfer)].

    PubMed

    Serikov, V B; Sukhin, A B; Selivanov, D B

    1988-06-01

    To study the transport kinetics, 10 experiments on canine isolated lung preparations were performed using tritium-labeled lipopolysaccharide, Evans blue dye, fluorescein and tritium-labeled water as mass transfer markers. The markers with high molecular weight were more rapidly transported through interstitium than those with low molecular weight. The data obtained corroborate the thesis that the distribution of substances in the interstitium follows the laws of diffusion and convection in porous phase. Active functioning of the endothelium structures also affects the blood-to-lymph transport.

  7. Pressure dependence of the oxygen reduction reaction at the platinum microelectrode/nafion interface - Electrode kinetics and mass transport

    NASA Technical Reports Server (NTRS)

    Parthasarathy, Arvind; Srinivasan, Supramaniam; Appleby, A. J.; Martin, Charles R.

    1992-01-01

    The investigation of oxygen reduction kinetics at the platinum/Nafion interface is of great importance in the advancement of proton-exchange-membrane (PEM) fuel-cell technology. This study focuses on the dependence of the oxygen reduction kinetics on oxygen pressure. Conventional Tafel analysis of the data shows that the reaction order with respect to oxygen is unity at both high and low current densities. Chronoamperometric measurements of the transport parameters for oxygen in Nafion show that oxygen dissolution follows Henry's isotherm. The diffusion coefficient of oxygen is invariant with pressure; however, the diffusion coefficient for oxygen is lower when air is used as the equilibrating gas as compared to when oxygen is used for equilibration. These results are of value in understanding the influence of O2 partial pressure on the performance of PEM fuel cells and also in elucidating the mechanism of oxygen reduction at the platinum/Nafion interface.

  8. Kinetic Relaxation Models for Energy Transport

    NASA Astrophysics Data System (ADS)

    Aoki, Kazuo; Markowich, Peter; Takata, Shigeru

    2007-04-01

    Kinetic equations with relaxation collision kernels are considered under the basic assumption of two collision invariants, namely mass and energy. The collision kernels are of BGK-type with a general local Gibbs state, which may be quite different from the Gaussian. By the use of the diffusive length/time scales, energy transport systems consisting of two parabolic equations with the position density and the energy density as unknowns are derived on a formal level. The H theorem for the kinetic model is presented, and the entropy for the energy transport systems, which is inherited from the kinetic model, is derived. The energy transport systems for specific examples of the global Gibbs state, such as a power law with negative exponent, a cut-off power law with positive exponent, the Maxwellian, Bose-Einstein, and Fermi-Dirac distributions, arepresented.

  9. A high-fidelity multiphysics model for the new solid oxide iron-air redox battery part I: Bridging mass transport and charge transfer with redox cycle kinetics

    SciTech Connect

    Jin, XF; Zhao, X; Huang, K

    2015-04-15

    A high-fidelity two-dimensional axial symmetrical multi-physics model is described in this paper as an effort to simulate the cycle performance of a recently discovered solid oxide metal-air redox battery (SOMARB). The model collectively considers mass transport, charge transfer and chemical redox cycle kinetics occurring across the components of the battery, and is validated by experimental data obtained from independent research. In particular, the redox kinetics at the energy storage unit is well represented by Johnson-Mehl-Avrami-Kolmogorov (JIVIAK) and Shrinking Core models. The results explicitly show that the reduction of Fe3O4 during the charging cycle limits the overall performance. Distributions of electrode potential, overpotential, Nernst potential, and H-2/H2O-concentration across various components of the battery are also systematically investigated. (C) 2015 Elsevier B.V. All rights reserved.

  10. Subcontinuum mass transport of hydrocarbons in nanoporous media and long-time kinetics of recovery from unconventional reservoirs

    NASA Astrophysics Data System (ADS)

    Bocquet, Lyderic

    2015-11-01

    In this talk I will discuss the transport of hydrocarbons across nanoporous media and analyze how this transport impacts at larger scales the long-time kinetics of hydrocarbon recovery from unconventional reservoirs (the so-called shale gas). First I will establish, using molecular simulation and statistical mechanics, that the continuum description - the so-called Darcy law - fails to predict transport within a nanoscale organic matrix. The non-Darcy behavior arises from the strong adsorption of the alkanes in the nanoporous material and the breakdown of hydrodynamics at the nanoscale, which contradicts the assumption of viscous flow. Despite this complexity, all permeances collapse on a master curve with an unexpected dependence on alkane length, which can be described theoretically by a scaling law for the permeance. Then I will show that alkane recovery from such nanoporous reservoirs is dynamically retarded due to interfacial effects occuring at the material's interface. This occurs especially in the hydraulic fracking situation in which water is used to open fractures to reach the hydrocarbon reservoirs. Despite the pressure gradient used to trigger desorption, the alkanes remain trapped for long times until water desorbs from the external surface. The free energy barrier can be predicted in terms of an effective contact angle on the composite nanoporous surface. Using a statistical description of the alkane recovery, I will then demonstrate that this retarded dynamics leads to an overall slow - algebraic - decay of the hydrocarbon flux. Such a behavior is consistent with algebraic decays of shale gas flux from various wells reported in the literature. This work was performed in collaboration with B. Coasne, K. Falk, T. Lee, R. Pellenq and F. Ulm, at the UMI CNRS-MIT, Massachusetts Institute of Technology, Cambridge, USA.

  11. Mass Conservation and Chemical Kinetics.

    ERIC Educational Resources Information Center

    Barbara, Thomas M.; Corio, P. L.

    1980-01-01

    Presents a method for obtaining all mass conservation conditions implied by a given mechanism in which the conditions are used to simplify integration of the rate equations and to derive stoichiometric relations. Discusses possibilities of faulty inference of kinetic information from a given stoichiometry. (CS)

  12. Kinetic Transport in Crystals

    NASA Astrophysics Data System (ADS)

    Marklof, Jens

    2010-03-01

    One of the central challenges in kinetic theory is the derivation of macroscopic evolution equations--describing, for example, the dynamics of an electron gas--from the underlying fundamental microscopic laws of classical or quantum mechanics. An iconic mathematical model in this research area is the Lorentz gas, which describes an ensemble of non-interacting point particles in an infinite array of spherical scatterers. In the case of a disordered scatterer configuration, the classical results by Gallavotti, Spohn and Boldrighini-Bunimovich-Sinai show that the time evolution of a macroscopic particle cloud is governed, in the limit of small scatterer density (Boltzmann-Grad limit), by the linear Boltzmann equation. In this lecture I will discuss the recent discovery that for a periodic configuration of scatterers the linear Boltzmann equation fails, and the random flight process that emerges in the Boltzmann-Grad limit is substantially more complicated. The key ingredient in the description of the limiting stochastic process is the renormalization dynamics on the space of lattices, a powerful technique that has recently been successfully applied also to other open problems in mathematical physics, including KAM theory and quantum chaos. This lecture is based on joint work with Andreas Strömbergsson, Uppsala.

  13. Kinetics of ligand binding to receptor immobilized in a polymer matrix, as detected with an evanescent wave biosensor. I. A computer simulation of the influence of mass transport.

    PubMed Central

    Schuck, P

    1996-01-01

    The influence of mass transport on ligand binding to receptor immobilized in a polymer matrix, as detected with an evanescent wave biosensor, was investigated. A one-dimensional computer model for the mass transport of ligand between the bulk solution and the polymer gel and within the gel was employed, and the influence of the diffusion coefficient, the partition coefficient, the thickness of the matrix, and the distribution of immobilized receptor were studied for a variety of conditions. Under conditions that may apply to many published experimental studies, diffusion within the matrix was found to decrease the overall ligand transport significantly. For relatively slow reactions, small spatial gradients of free and bound ligand in the gel are found, whereas for relatively rapid reactions strong inhomogeneities of ligand within the gel occur before establishment of equilibrium. Several types of deviations from ideal pseudo-first-order binding progress curves are described that resemble those of published experimental data. Extremely transport limited reactions can in some cases be fitted with apparently ideal binding progress curves, although with apparent reaction rates that are much lower than the true reaction rates. Nevertheless, the ratio of the apparent rate constants can be semiquantitatively consistent with the true equilibrium constant. Apparently "cooperative" binding can result from high chemical on rates at high receptor saturation. Dissociation in the presence of transport limitation was found to be well described empirically by a single or a double exponential, with both apparent rate constants considerably lower than the intrinsic chemical rate constant. Transport limitations in the gel can introduce many generally unknown factors into the binding progress curve. The simulations suggest that unexpected deviations from ideal binding progress curves may be due to highly transport influenced binding kinetics. The use of a thinner polymer matrix could

  14. Bioreactor Mass Transport Studies

    NASA Technical Reports Server (NTRS)

    Kleis, Stanley J.; Begley, Cynthia M.

    1997-01-01

    The objectives of the proposed research efforts were to develop both a simulation tool and a series of experiments to provide a quantitative assessment of mass transport in the NASA rotating wall perfused vessel (RWPV) bioreactor to be flown on EDU#2. This effort consisted of a literature review of bioreactor mass transport studies, the extension of an existing scalar transport computer simulation to include production and utilization of the scalar, and the evaluation of experimental techniques for determining mass transport in these vessels. Since mass transport at the cell surface is determined primarily by the relative motion of the cell assemblage and the surrounding fluid, a detailed assessment of the relative motion was conducted. Results of the simulations of the motion of spheres in the RWPV under microgravity conditions are compared with flight data from EDU#1 flown on STS-70. The mass transport across the cell membrane depends upon the environment, the cell type, and the biological state of the cell. Results from a literature review of cell requirements of several scalars are presented. As a first approximation, a model with a uniform spatial distribution of utilization or production was developed and results from these simulations are presented. There were two candidate processes considered for the experimental mass transport evaluations. The first was to measure the dissolution rate of solid or gel beads. The second was to measure the induced fluorescence of beads as a stimulant (for example hydrogen peroxide) is infused into the vessel. Either technique would use video taped images of the process for recording the quantitative results. Results of preliminary tests of these techniques are discussed.

  15. Automated transportable mass spectrometer

    NASA Astrophysics Data System (ADS)

    Echo, M. W.

    1981-09-01

    The need was identified for a mass spectrometer (MS) which can be conveniently transported among several facilities for rapid verification of the isotopic composition of special nuclear material. This requirement for a light weight, transportable MS for U and Pu mass analysis was met by deleting the gas chromograph (GC) portions of a Hewlett-Packard Model 5992 Quadrupole GCMS and substituting a vacuum lock sample entry system. A programmable power supply and vacuum gauge were added and circuitry modifications were made to enable use of the supplied software.

  16. Mass Transport within Soils

    SciTech Connect

    McKone, Thomas E.

    2009-03-01

    Contaminants in soil can impact human health and the environment through a complex web of interactions. Soils exist where the atmosphere, hydrosphere, geosphere, and biosphere converge. Soil is the thin outer zone of the earth's crust that supports rooted plants and is the product of climate and living organisms acting on rock. A true soil is a mixture of air, water, mineral, and organic components. The relative proportions of these components determine the value of the soil for agricultural and for other human uses. These proportions also determine, to a large extent, how a substance added to soil is transported and/or transformed within the soil (Spositio, 2004). In mass-balance models, soil compartments play a major role, functioning both as reservoirs and as the principal media for transport among air, vegetation, surface water, deeper soil, and ground water (Mackay, 2001). Quantifying the mass transport of chemicals within soil and between soil and atmosphere is important for understanding the role soil plays in controlling fate, transport, and exposure to multimedia pollutants. Soils are characteristically heterogeneous. A trench dug into soil typically reveals several horizontal layers having different colors and textures. As illustrated in Figure 1, these multiple layers are often divided into three major horizons: (1) the A horizon, which encompasses the root zone and contains a high concentration of organic matter; (2) the B horizon, which is unsaturated, lies below the roots of most plants, and contains a much lower organic carbon content; and (3) the C horizon, which is the unsaturated zone of weathered parent rock consisting of bedrock, alluvial material, glacial material, and/or soil of an earlier geological period. Below these three horizons lies the saturated zone - a zone that encompasses the area below ground surface in which all interconnected openings within the geologic media are completely filled with water. Similarly to the unsaturated zone

  17. Ozone mass transfer and kinetics experiments

    SciTech Connect

    Bollyky, L.J.; Beary, M.M.

    1981-12-01

    Experiments were conducted at the Hanford Site to determine the most efficient pH and temperature levels for the destruction of complexants in Hanford high-level defense waste. These complexants enhance migration of radionuclides in the soil and inhibit the growth of crystals in the evaporator-crystallizer. Ozone mass transfer and kinetics tests have been outlined for the determination of critical mass transfer and kinetics parameters of the ozone-complexant reaction.

  18. Kinetics of water transport in sickle cells.

    PubMed

    Craescu, C T; Cassoly, R; Galacteros, F; Prehu, C

    1985-02-14

    This paper reports the results of stopped-flow studies on differences in the kinetics of osmotic water transport of sickle and normal erythrocytes. The kinetics of inward osmotic water permeability are similar in sickle and normal red blood cells. In contrast, the kinetics of outward water flux are significantly (approx. 38%) decreased in sickle cells. Deoxygenation does not modify the water influx kinetics in either type of cells, but accelerates considerably the rate of water efflux in sickle cells. No significant variation of water transport kinetics was observed in density-separated cell fractions of either type. The results suggest that membrane-associated hemoglobin may decrease the outward water permeability and that in deoxygenated sickle cells the fraction of hemoglobin S near the lipid bilayer is lower than in oxygenated conditions. PMID:3970910

  19. Mass partitioning effects in diffusion transport.

    PubMed

    Kojic, Milos; Milosevic, Miljan; Wu, Suhong; Blanco, Elvin; Ferrari, Mauro; Ziemys, Arturas

    2015-08-28

    Frequent mass exchange takes place in a heterogeneous environment among several phases, where mass partitioning may occur at the interface of phases. Analytical and computational methods for diffusion do not usually incorporate molecule partitioning masking the true picture of mass transport. Here we present a computational finite element methodology to calculate diffusion mass transport with a partitioning phenomenon included and the analysis of the effects of partitioning. Our numerical results showed that partitioning controls equilibrated mass distribution as expected from analytical solutions. The experimental validation of mass release from drug-loaded nanoparticles showed that partitioning might even dominate in some cases with respect to diffusion itself. The analysis of diffusion kinetics in the parameter space of partitioning and diffusivity showed that partitioning is an extremely important parameter in systems, where mass diffusivity is fast and that the concentration of nanoparticles can control payload retention inside nanoparticles. The computational and experimental results suggest that partitioning and physiochemical properties of phases play an important, if not crucial, role in diffusion transport and should be included in the studies of mass transport processes.

  20. Mass partitioning effects in diffusion transport.

    PubMed

    Kojic, Milos; Milosevic, Miljan; Wu, Suhong; Blanco, Elvin; Ferrari, Mauro; Ziemys, Arturas

    2015-08-28

    Frequent mass exchange takes place in a heterogeneous environment among several phases, where mass partitioning may occur at the interface of phases. Analytical and computational methods for diffusion do not usually incorporate molecule partitioning masking the true picture of mass transport. Here we present a computational finite element methodology to calculate diffusion mass transport with a partitioning phenomenon included and the analysis of the effects of partitioning. Our numerical results showed that partitioning controls equilibrated mass distribution as expected from analytical solutions. The experimental validation of mass release from drug-loaded nanoparticles showed that partitioning might even dominate in some cases with respect to diffusion itself. The analysis of diffusion kinetics in the parameter space of partitioning and diffusivity showed that partitioning is an extremely important parameter in systems, where mass diffusivity is fast and that the concentration of nanoparticles can control payload retention inside nanoparticles. The computational and experimental results suggest that partitioning and physiochemical properties of phases play an important, if not crucial, role in diffusion transport and should be included in the studies of mass transport processes. PMID:26204522

  1. Kinetic transport simulation of energetic particles

    NASA Astrophysics Data System (ADS)

    Sheng, He; Waltz, R. E.

    2016-05-01

    A kinetic transport code (EPtran) is developed for the transport of the energetic particles (EPs). The EPtran code evolves the EP distribution function in radius, energy, and pitch angle phase space (r, E, λ) to steady state with classical slowing down, pitch angle scattering, as well as radial and energy transport of the injected EPs (neutral beam injection (NBI) or fusion alpha). The EPtran code is illustrated by treating the transport of NBI fast ions from high-n ITG/TEM micro-turbulence and EP driven unstable low-n Alfvén eigenmodes (AEs) in a well-studied DIII-D NBI heated discharge with significant AE central core loss. The kinetic transport code results for this discharge are compared with previous study using a simple EP density moment transport code ALPHA (R.E. Waltz and E.M. Bass 2014 Nucl. Fusion 54 104006). The dominant EP-AE transport is treated with a local stiff critical EP density (or equivalent pressure) gradient radial transport model modified to include energy-dependence and the nonlocal effects EP drift orbits. All previous EP transport models assume that the EP velocity space distribution function is not significantly distorted from the classical ‘no transport’ slowing down distribution. Important transport distortions away from the slowing down EP spectrum are illustrated by a focus on the coefficient of convection: EP energy flux divided by the product of EP average energy and EP particle flux.

  2. Urban Mass Transportation.

    ERIC Educational Resources Information Center

    Mervine, K. E.

    This bibliography is part of a series of Environmental Resource Packets prepared under a grant from EXXON Education Foundation. The most authoritative and accessible references in the urban transportation field are reviewed. The authors, publisher, point of view, level, and summary are given for each reference. The references are categorized…

  3. Transport and Growth Kinetics in Microgravity Protein Crystal Growth

    NASA Technical Reports Server (NTRS)

    Otalora, F.; Garcia-Ruiz, J. M.; Carotenuto, L.; Castagnolo, D.; Novella, M. L.; Chernov, A. A.

    2002-01-01

    The dynamic coupling between mass transport and incorporation of growth units into the surface of a crystal growing from solution in microgravity is used to derive quantitative information on the crystal growth kinetics. To this end, new procedures for experiment preparation, interferometric data processing and model fitting have been developed. The use of experimental data from the bulk diffusive maw transport together with a model for steady state stagnant crystal growth allows the detailed quantitative understanding of the kinetics of both the concentration depletion zone around the crystal and the growth of the crystal interface. The protein crystal used in the experiment is shown to be growing in the mixed kinetic regime (0.2 x 10(exp -6) centimeters per second less than beta R/D less than 0.9 x 10(exp -6) centimeters per second).

  4. Modeling anomalous radial transport in kinetic transport codes

    NASA Astrophysics Data System (ADS)

    Bodi, K.; Krasheninnikov, S. I.; Cohen, R. H.; Rognlien, T. D.

    2009-11-01

    Anomalous transport is typically the dominant component of the radial transport in magnetically confined plasmas, where the physical origin of this transport is believed to be plasma turbulence. A model is presented for anomalous transport that can be used in continuum kinetic edge codes like TEMPEST, NEO and the next-generation code being developed by the Edge Simulation Laboratory. The model can also be adapted to particle-based codes. It is demonstrated that the model with a velocity-dependent diffusion and convection terms can match a diagonal gradient-driven transport matrix as found in contemporary fluid codes, but can also include off-diagonal effects. The anomalous transport model is also combined with particle drifts and a particle/energy-conserving Krook collision operator to study possible synergistic effects with neoclassical transport. For the latter study, a velocity-independent anomalous diffusion coefficient is used to mimic the effect of long-wavelength ExB turbulence.

  5. Drift-Kinetic Simulations of Neoclassical Transport

    SciTech Connect

    Belli, E. A.; Candy, J.

    2008-11-01

    We present results from numerical studies of neoclassical transport for multi-species plasmas. The code, NEO, provides a first-principles based calculation of the neoclassical transport coefficients directly from solution of the distribution function by solving a hierarchy of equations derived by expanding the fundamental drift-kinetic equation in powers of {rho}{sub *i}, the ratio of the ion gyroradius to system size. It extends previous studies by including the self-consistent coupling of electrons and multiple ion species and strong toroidal rotation effects. Systematic calculations of the second-order particle and energy fluxes and first-order plasma flows and bootstrap current and comparisons with existing theories are given for multi-species plasmas. The ambipolar relation {sigma}{sub a}z{sub a}{gamma}{sub a} = 0, which can only be maintained with complete cross-species collisional coupling, is confirmed. The effects of plasma shaping are also explored.

  6. Kinetics of transport extraction based on solvent sublation

    NASA Astrophysics Data System (ADS)

    Palágyi, Š.

    1999-01-01

    The kinetics of this transport extraction has been studied in a 131I2—N-cetylpyridinium chloride complex pair model system under static conditions with a stagnant aqueous phase and a stationary organic solvent. Using N2 carrier gas at a flow rate of 60 cm3/min, separation efficiencies up to 95% were obtained within 2 hr. with a 400-fold preconcentration of radioiodine into 10 cm3 of benzene from 4 dm3 model samples of deionized, tap and river water. Relevant equations have been derived, from which the separation efficiency, the mass-transfer rate constant and the separation half-time can be calculated in dependence on time for various experimental conditions. The mass distribution constant of solute between the surface of the carrier gas bubbles and aqueous phase of the process can also be evaluated.

  7. Kinetic modelling of coupled transport across biological membranes.

    PubMed

    Korla, Kalyani; Mitra, Chanchal K

    2014-04-01

    In this report, we have modelled a secondary active co-transporter (symport and antiport), based on the classical kinetics model. Michaelis-Menten model of enzyme kinetics for a single substrate, single intermediate enzyme catalyzed reaction was proposed more than a hundred years ago. However, no single model for the kinetics of co-transport of molecules across a membrane is available in the literature We have made several simplifying assumptions and have followed the basic Michaelis-Menten approach. The results have been simulated using GNU Octave. The results will be useful in general kinetic simulations and modelling.

  8. Reactive Gas transport in soil: Kinetics versus Local Equilibrium Approach

    NASA Astrophysics Data System (ADS)

    Geistlinger, Helmut; Jia, Ruijan

    2010-05-01

    Gas transport through the unsaturated soil zone was studied using an analytical solution of the gas transport model that is mathematically equivalent to the Two-Region model. The gas transport model includes diffusive and convective gas fluxes, interphase mass transfer between the gas and water phase, and biodegradation. The influence of non-equilibrium phenomena, spatially variable initial conditions, and transient boundary conditions are studied. The objective of this paper is to compare the kinetic approach for interphase mass transfer with the standard local equilibrium approach and to find conditions and time-scales under which the local equilibrium approach is justified. The time-scale of investigation was limited to the day-scale, because this is the relevant scale for understanding gas emission from the soil zone with transient water saturation. For the first time a generalized mass transfer coefficient is proposed that justifies the often used steady-state Thin-Film mass transfer coefficient for small and medium water-saturated aggregates of about 10 mm. The main conclusion from this study is that non-equilibrium mass transfer depends strongly on the temporal and small-scale spatial distribution of water within the unsaturated soil zone. For regions with low water saturation and small water-saturated aggregates (radius about 1 mm) the local equilibrium approach can be used as a first approximation for diffusive gas transport. For higher water saturation and medium radii of water-saturated aggregates (radius about 10 mm) and for convective gas transport, the non-equilibrium effect becomes more and more important if the hydraulic residence time and the Damköhler number decrease. Relative errors can range up to 100% and more. While for medium radii the local equilibrium approach describes the main features both of the spatial concentration profile and the time-dependence of the emission rate, it fails completely for larger aggregates (radius about 100 mm

  9. Unstirred Water Layers and the Kinetics of Organic Cation Transport

    PubMed Central

    Shibayama, Takahiro; Morales, Mark; Zhang, Xiaohong; Martinez, Lucy; Berteloot, Alfred; Secomb, Timothy W.; Wright, Stephen H.

    2015-01-01

    Purpose Unstirred water layers (UWLs) present an unavoidable complication in the measurement of transport kinetics in cultured cells and the high rates of transport achieved by overexpressing heterologous transporters exacerbate the UWL effect. This study examined the correlation between measured Jmax and Kt values and the effect of manipulating UWL thickness or transport Jmax on the accuracy of experimentally determined kinetics of the multidrug transporters, OCT2 and MATE1. Methods Transport of TEA and MPP was measured in CHO cells that stably expressed human OCT2 or MATE1. UWL thickness was manipulated by vigorous reciprocal shaking. Several methods were used to manipulate maximal transport rates. Results Vigorous stirring stimulated uptake of OCT2-mediated transport by decreasing apparent Kt (Ktapp) values. Systematic reduction in transport rates was correlated with reduction in Ktapp values. The slope of these relationships indicated a 1500 µm UWL in multiwell plates. Reducing the influence of UWLs (by decreasing either their thickness or the Jmax of substrate transport) reduced Ktapp by 2-fold to >10-fold. Conclusions Failure to take into account the presence of UWLs in experiments using cultured cells to measure transport kinetics can result in significant underestimates of the affinity of multidrug transporters for substrates. PMID:25791216

  10. Chemical Kinetic Modeling of Advanced Transportation Fuels

    SciTech Connect

    PItz, W J; Westbrook, C K; Herbinet, O

    2009-01-20

    Development of detailed chemical kinetic models for advanced petroleum-based and nonpetroleum based fuels is a difficult challenge because of the hundreds to thousands of different components in these fuels and because some of these fuels contain components that have not been considered in the past. It is important to develop detailed chemical kinetic models for these fuels since the models can be put into engine simulation codes used for optimizing engine design for maximum efficiency and minimal pollutant emissions. For example, these chemistry-enabled engine codes can be used to optimize combustion chamber shape and fuel injection timing. They also allow insight into how the composition of advanced petroleum-based and non-petroleum based fuels affect engine performance characteristics. Additionally, chemical kinetic models can be used separately to interpret important in-cylinder experimental data and gain insight into advanced engine combustion processes such as HCCI and lean burn engines. The objectives are: (1) Develop detailed chemical kinetic reaction models for components of advanced petroleum-based and non-petroleum based fuels. These fuels models include components from vegetable-oil-derived biodiesel, oil-sand derived fuel, alcohol fuels and other advanced bio-based and alternative fuels. (2) Develop detailed chemical kinetic reaction models for mixtures of non-petroleum and petroleum-based components to represent real fuels and lead to efficient reduced combustion models needed for engine modeling codes. (3) Characterize the role of fuel composition on efficiency and pollutant emissions from practical automotive engines.

  11. Kinetics of ion transport through supramolecular channels in single crystals.

    PubMed

    Assouma, Cyrille D; Crochet, Aurélien; Chérémond, Yvens; Giese, Bernd; Fromm, Katharina M

    2013-04-22

    Single-crystal to single-crystal transformations are possible by ion-exchange and transport reactions through supramolecular channels that are composed of crown ether molecules and use trihalide ions as scaffolds. Kinetic measurements of ion transport at different temperatures provide activation energy data and show that a very fast exchange of K(+) ions with Na(+) ions occurs.

  12. Efficient mass transport by optical advection

    NASA Astrophysics Data System (ADS)

    Kajorndejnukul, Veerachart; Sukhov, Sergey; Dogariu, Aristide

    2015-10-01

    Advection is critical for efficient mass transport. For instance, bare diffusion cannot explain the spatial and temporal scales of some of the cellular processes. The regulation of intracellular functions is strongly influenced by the transport of mass at low Reynolds numbers where viscous drag dominates inertia. Mimicking the efficacy and specificity of the cellular machinery has been a long time pursuit and, due to inherent flexibility, optical manipulation is of particular interest. However, optical forces are relatively small and cannot significantly modify diffusion properties. Here we show that the effectiveness of microparticle transport can be dramatically enhanced by recycling the optical energy through an effective optical advection process. We demonstrate theoretically and experimentally that this new advection mechanism permits an efficient control of collective and directional mass transport in colloidal systems. The cooperative long-range interaction between large numbers of particles can be optically manipulated to create complex flow patterns, enabling efficient and tunable transport in microfluidic lab-on-chip platforms.

  13. Estimating kinetic mass transfer by resting-period measurements in flow-interruption tracer tests

    SciTech Connect

    Gong, R; Lu, C; Wu, Wei-min; Cheng, H.; Gu, Baohua; Watson, David B; Criddle, Craig; Kitanidis, Peter K.; Brooks, Scott C; Jardine, Philip M; Luo, Jian

    2010-06-01

    Flow-interruption tracer test is an effective approach to identify kinetic mass transfer processes for solute transport in subsurface media. By switching well pumping and resting, one may alter the dominant transport mechanism and generate special concentration patterns for identifying kinetic mass transfer processes. In the present research, we conducted three-phase (i.e., pumping, resting, and pumping) field-scale flow-interruption tracer tests using a conservative tracer bromide in a multiple-well system installed at the US Department of Energy Site, Oak Ridge, TN. A novel modeling approach based on the resting-period measurements was developed to estimate the mass transfer parameters. This approach completely relied on the measured breakthrough curves without requiring detailed aquifer characterization and solving transport equations in nonuniform, transient flow fields. Additional measurements, including hydraulic heads and tracer concentrations in large pumping wells, were taken to justify the assumption that mass transfer processes dominated concentration change during resting periods. The developed approach can be conveniently applied to any linear mass transfer model. Both first-order and multirate mass transfer models were applied to analyze the breakthrough curves at various monitoring wells. The multirate mass transfer model was capable of jointly fitting breakthrough curve behavior, showing the effectiveness and flexibility for incorporating aquifer heterogeneity and scale effects in upscaling effective mass transfer models.

  14. Estimating kinetic mass transfer by resting-period measurements in flow-interruption tracer tests.

    PubMed

    Gong, R; Lu, C; Wu, W-M; Cheng, H; Gu, B; Watson, D B; Criddle, C S; Kitanidis, P K; Brooks, S C; Jardine, P M; Luo, J

    2010-09-20

    Flow-interruption tracer test is an effective approach to identify kinetic mass transfer processes for solute transport in subsurface media. By switching well pumping and resting, one may alter the dominant transport mechanism and generate special concentration patterns for identifying kinetic mass transfer processes. In the present research, we conducted three-phase (i.e., pumping, resting, and pumping) field-scale flow-interruption tracer tests using a conservative tracer bromide in a multiple-well system installed at the US Department of Energy Site, Oak Ridge, TN. A novel modeling approach based on the resting-period measurements was developed to estimate the mass transfer parameters. This approach completely relied on the measured breakthrough curves without requiring detailed aquifer characterization and solving transport equations in nonuniform, transient flow fields. Additional measurements, including hydraulic heads and tracer concentrations in large pumping wells, were taken to justify the assumption that mass transfer processes dominated concentration change during resting periods. The developed approach can be conveniently applied to any linear mass transfer model. Both first-order and multirate mass transfer models were applied to analyze the breakthrough curves at various monitoring wells. The multirate mass transfer model was capable of jointly fitting breakthrough curve behavior, showing the effectiveness and flexibility for incorporating aquifer heterogeneity and scale effects in upscaling effective mass transfer models.

  15. Kinetic and electromagnetic transport processes in toroidal devices

    SciTech Connect

    Moses, R.W.; Schoenberg, K.F.

    1990-01-01

    A brief review of transport processes in toroidal devices is presented. Particular attention is given to radial transport of power by the Poynting's vector and kinetic electron flow. This work is primarily focused on the Reversed Field Pinch (RFP) which holds the added complexity of a dynamo process that sustains poloidal current in the edge region, where the toroidal field is reversed. The experimental observation of superthermal unidirectional electrons in the plasma edge of ZT-40M and HBTX1C is noted, and the rapid, nonclassical ion heating in RFPs is taken account of. Radial transport parallel to fluctuating magnetic field lines is deemed a likely candidate for both electromagnetic and kinetic energy transport. Two models are discussed and compared. It is concluded that electromagnetic transport using a local Ohm's law best describes nonclassical ion heating, and the transport of kinetic energy by long mean free path electrons best represents the half-Maxwellian of electrons observed in the edge of several RFPs. A nonlocal Ohm's law is essential for the kinetic electron model. 18 refs.

  16. Kinetic energy transport in Rayleigh-Bénard convection

    NASA Astrophysics Data System (ADS)

    Petschel, K.; Stellmach, S.; Wilczek, M.; Lülff, J.; Hansen, U.

    2015-06-01

    The kinetic energy balance in Rayleigh--B\\'{e}nard convection is investigated for the Prandtl number range $0.01\\le Pr \\le 150$ and for fixed Rayleigh number $Ra=5\\cdot10^{6}$. The kinetic energy balance is divided into a dissipation, a production and a flux term. We discuss profiles of all terms and find that the different contributions to the energy balance can be spatially separated into regions where kinetic energy is produced and where kinetic energy is dissipated. Analysing the Prandtl number dependence of the kinetic energy balance, we show that the height-dependence of the mean viscous dissipation is closely related to the flux of kinetic energy. We show that the flux of kinetic energy can be divided into four additive contributions, each representing a different elementary physical process (advection, buoyancy, normal viscous stresses and viscous shear stresses). The behaviour of these individual flux contributions is found to be surprisingly rich and exhibits a pronounced Prandtl number dependence. Different flux contributions dominate the kinetic energy transport at different depth, such that a comprehensive discussion requires a decomposition of the domain into a considerable number of sub-layers. On a less detailed level, our results reveal that advective kinetic energy fluxes play a key role in balancing the near-wall dissipation at low Prandtl number, whereas normal viscous stresses are particularly important at high Prandtl number. Finally, our work reveals that classical velocity boundary layers are deeply connected to the kinetic energy transport, but fail to correctly represent regions of enhanced viscous dissipation.

  17. Transport and kinetics in sandwiched membrane bioreactors.

    PubMed

    Jeong, Y S; Vieth, W R; Matsuura, T

    1991-01-01

    A bioreactor in which living yeast cells are sandwiched between an ultrafiltration membrane and a reverse osmosis membrane was constructed, and experiments were performed for the conversion of substrate glucose to product ethanol. A set of equations that include both transport through a series of barrier layers and bioreaction rate were developed to predict the performance of the sandwich bioreactor. The above equations were solved by using numerical values for the transport parameter and the bioreaction rate constant, and the results are compared with the experimental data.

  18. Mass Transport in Global Geophysical Fluids

    NASA Technical Reports Server (NTRS)

    Chao, B. F.

    1999-01-01

    Mass transports occurring in the atmosphere-hydrosphere-solid Earth-core system (the "global geophysical fluids") are important geophysical phenomena. They occur on all temporal and spatial scales. Examples include air mass and ocean circulations, tides, hydrological water redistribution, mantle processes such as post-glacial rebound, earthquakes and tectonic motions, and core geodynamo activities. With only a few exceptions on the Earth surface, the temporal history and spatial pattern of such mass transport are often not amenable to direct observations. Space geodesy techniques, however, have the capability of monitoring certain direct consequences of the mass transport, including Earth's rotation variations, gravitational field variations, and the geocenter motion. These techniques include the very-long-baseline interferometry, satellite laser ranging and Doppler tracking, and the Global Positioning System, all entail global observational networks. While considerable advances have been made in observing and understanding of the dynamics of Earth's rotation, only the lowest-degree gravitational variations have been observed and limited knowledge of geocenter motion obtained. New space missions, projects and initiatives promise to further improve the measurements and hence our knowledge about the global mass transports. The latter contributes to our understanding and modeling capability of the geophysical processes that produce and regulate the mass transports, as well as the solid Earth's response to such changes in constraining the modeling of Earth's mechanical properties.

  19. Impact of kinetic mass transfer on free convection in a porous medium

    NASA Astrophysics Data System (ADS)

    Lu, Chunhui; Shi, Liangsheng; Chen, Yiming; Xie, Yueqing; Simmons, Craig T.

    2016-05-01

    We investigate kinetic mass transfer effects on unstable density-driven flow and transport processes by numerical simulations of a modified Elder problem. The first-order dual-domain mass transfer model coupled with a variable-density-flow model is employed to describe transport behavior in porous media. Results show that in comparison to the no-mass-transfer case, a higher degree of instability and more unstable system is developed in the mass transfer case due to the reduced effective porosity and correspondingly a larger Rayleigh number (assuming permeability is independent on the mobile porosity). Given a constant total porosity, the magnitude of capacity ratio (i.e., immobile porosity/mobile porosity) controls the macroscopic plume profile in the mobile domain, while the magnitude of mass transfer timescale (i.e., the reciprocal of the mass transfer rate coefficient) dominates its evolution rate. The magnitude of capacity ratio plays an important role on the mechanism driving the mass flux into the aquifer system. Specifically, for a small capacity ratio, solute loading is dominated by the density-driven transport, while with increasing capacity ratio local mass transfer dominated solute loading may occur at later times. At significantly large times, however, both mechanisms contribute comparably to solute loading. Sherwood Number could be a nonmonotonic function of mass transfer timescale due to complicated interactions of solute between source zone, mobile zone and immobile zone in the top boundary layer, resulting in accordingly a similar behavior of the total mass. The initial assessment provides important insights into unstable density-driven flow and transport in the presence of kinetic mass transfer.

  20. 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.

  1. 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.

  2. Mass, Momentum and Kinetic Energy of a Relativistic Particle

    ERIC Educational Resources Information Center

    Zanchini, Enzo

    2010-01-01

    A rigorous definition of mass in special relativity, proposed in a recent paper, is recalled and employed to obtain simple and rigorous deductions of the expressions of momentum and kinetic energy for a relativistic particle. The whole logical framework appears as the natural extension of the classical one. Only the first, second and third laws of…

  3. Linear kinetic theory and particle transport in stochastic mixtures

    SciTech Connect

    Pomraning, G.C.

    1995-12-31

    We consider the formulation of linear transport and kinetic theory describing energy and particle flow in a random mixture of two or more immiscible materials. Following an introduction, we summarize early and fundamental work in this area, and we conclude with a brief discussion of recent results.

  4. Texture Mapping via Optimal Mass Transport

    PubMed Central

    Dominitz, Ayelet; Tannenbaum, Allen

    2010-01-01

    In this paper, we present a novel method for texture mapping of closed surfaces. Our method is based on the technique of optimal mass transport (also known as the “earth-mover’s metric”). This is a classical problem that concerns determining the optimal way, in the sense of minimal transportation cost, of moving a pile of soil from one site to another. In our context, the resulting mapping is area preserving and minimizes angle distortion in the optimal mass sense. Indeed, we first begin with an angle-preserving mapping (which may greatly distort area) and then correct it using the mass transport procedure derived via a certain gradient flow. In order to obtain fast convergence to the optimal mapping, we incorporate a multiresolution scheme into our flow. We also use ideas from discrete exterior calculus in our computations. PMID:20224137

  5. A Kinetic and Mass Transfer Model for Glycerol Hydrogenolysis in a Trickle-Bed Reactor

    SciTech Connect

    Xi, Yaoyan; Holladay, Johnathan E.; Frye, John G.; Oberg, Aaron A.; Jackson, James E.; Miller, Dennis J.

    2010-11-15

    A detailed model of glycerol hydrogenolysis in a trickle-bed reactor is presented that includes a mechanistically based kinetic rate expression, energy transport, mass transport across the gas-liquid and liquid-solid interfaces, intraparticle catalyst mass transfer, and partial wetting of the bed. Optimal kinetic parameters for the glycerol hydrogenolysis rate expression were determined via nonlinear regression analysis on the basis of experiments conducted in a laboratory-scale trickle-bed reactor over a broad range of operating conditions. Model predictions agree well with experimental data and accurately predict trends in reactor performance with liquid flow rate, temperature, hydrogen pressure, and base promoter concentration. The model is thus a useful tool for predicting laboratory reactor performance and for design of commercial-scale trickle-bed systems.

  6. The need for a kinetics for biological transport.

    PubMed

    Schindler, A M; Iberall, A S

    1973-08-01

    The traditional theory of transport across capillary membranes via a laminar Poiseuille flow is shown to be invalid. It is demonstrated that the random, diffusive nature of the molecular flow and interactions with the "pore" walls play an important role in the transport process. Neither the continuum Navier-Stokes theory nor the equivalent theory of irreversible thermodynamics is adequate to treat the problem. Combination of near-continuum hydrodynamic theory, noncontinuum kinetic theory, and the theory of fluctuations provides a first step toward modeling both liquid processes in general and membrane transport processes as a specific application.

  7. Controlling Mass Transport in Microfluidic Devices

    NASA Astrophysics Data System (ADS)

    Kuo, Jason S.; Chiu, Daniel T.

    2011-07-01

    Microfluidic platforms offer exquisite capabilities in controlling mass transport for biological studies. In this review, we focus on recent developments in manipulating chemical concentrations at the microscale. Some techniques prevent or accelerate mixing, whereas others shape the concentration gradients of chemical and biological molecules. We also highlight several in vitro biological studies in the areas of organ engineering, cancer, and blood coagulation that have benefited from accurate control of mass transfer.

  8. Oceanic mass transport by mesoscale eddies.

    PubMed

    Zhang, Zhengguang; Wang, Wei; Qiu, Bo

    2014-07-18

    Oceanic transports of heat, salt, fresh water, dissolved CO2, and other tracers regulate global climate change and the distribution of natural marine resources. The time-mean ocean circulation transports fluid as a conveyor belt, but fluid parcels can also be trapped and transported discretely by migrating mesoscale eddies. By combining available satellite altimetry and Argo profiling float data, we showed that the eddy-induced zonal mass transport can reach a total meridionally integrated value of up to 30 to 40 sverdrups (Sv) (1 Sv = 10(6) cubic meters per second), and it occurs mainly in subtropical regions, where the background flows are weak. This transport is comparable in magnitude to that of the large-scale wind- and thermohaline-driven circulation. PMID:25035491

  9. Oceanic mass transport by mesoscale eddies.

    PubMed

    Zhang, Zhengguang; Wang, Wei; Qiu, Bo

    2014-07-18

    Oceanic transports of heat, salt, fresh water, dissolved CO2, and other tracers regulate global climate change and the distribution of natural marine resources. The time-mean ocean circulation transports fluid as a conveyor belt, but fluid parcels can also be trapped and transported discretely by migrating mesoscale eddies. By combining available satellite altimetry and Argo profiling float data, we showed that the eddy-induced zonal mass transport can reach a total meridionally integrated value of up to 30 to 40 sverdrups (Sv) (1 Sv = 10(6) cubic meters per second), and it occurs mainly in subtropical regions, where the background flows are weak. This transport is comparable in magnitude to that of the large-scale wind- and thermohaline-driven circulation.

  10. Transport phenomena of crystal growth—heat and mass transfer

    NASA Astrophysics Data System (ADS)

    Rudolph, Peter

    2010-07-01

    Selected fundamentals of transport processes and their importance for crystal growth are given. First, principal parameters and equations of heat and mass transfer, like thermal flux, radiation and diffusion are introduced. The heat- and mass- balanced melt-solid and solution-solid interface velocities are derived, respectively. The today's significance of global numeric simulation for analysis of thermo-mechanical stress and related dislocation dynamics within the growing crystal is shown. The relation between diffusion and kinetic regime is discussed. Then, thermal and solutal buoyancy-driven and Marangoni convections are introduced. Their important interplay with the diffusion boundary layer, component and particle incorporation as well as morphological interface stability is demonstrated. Non-steady crystallization phenomena (striations) caused by convective fluctuations are considered. Selected results of global 3D numeric modeling are shown. Finally, advanced methods to control heat and mass transfer by external forces, such as accelerated container rotation, ultrasonic vibration and magnetic fields are discussed.

  11. Mass transport theory for the Toda lattices, dispersive and dissipative

    NASA Astrophysics Data System (ADS)

    Horii, Zene

    2005-05-01

    To establish mass transport theory on nonlinear lattices, we formulate the Korteweg-deVries (KdV) equation and the Burgers equation using the flow variable representation so as to facilitate comparison with the Boltzmann equation and with the Cahn-Hilliard equation in classical statistical mechanics. We also study Toda lattice microdynamics using the Flaschka representation, and compare with the Liouville equation. Like the linear diffusion equation, the Boltzmann equation and the Liouville equation are to be solved for a distribution function, which is intrinsically probabilistic. Transport theory in linear systems is governed by the isotropic motions of the kinetic equations. In contrast, the KdV perturbation equation derived from the Toda lattice microdynamics expresses hydrodynamic mass transport. The KdV equation in hydrodynamics and the Burgers equation in thermodynamics do not involve a probability distribution function. The nonlinear lattices do not retain isotropy of the mass transport equations. In consequence, it is proposed that in the presence of hydrodynamic flows to the left, KdV wave propagation proceeds to the right. This basic property of the KdV system is extended to thermodynamics in the Burgers system. These features arise because linear systems are driven towards an equilibrium by molecular collisions, whereas the inhomogeneities of the nonlinear lattices are generated by the potential energy of interaction. Diffusion as expressed by the Burgers equation is governed not only by a chemical potential, but also by the Toda lattice potential energy.

  12. Efficient mass transport by optical advection

    PubMed Central

    Kajorndejnukul, Veerachart; Sukhov, Sergey; Dogariu, Aristide

    2015-01-01

    Advection is critical for efficient mass transport. For instance, bare diffusion cannot explain the spatial and temporal scales of some of the cellular processes. The regulation of intracellular functions is strongly influenced by the transport of mass at low Reynolds numbers where viscous drag dominates inertia. Mimicking the efficacy and specificity of the cellular machinery has been a long time pursuit and, due to inherent flexibility, optical manipulation is of particular interest. However, optical forces are relatively small and cannot significantly modify diffusion properties. Here we show that the effectiveness of microparticle transport can be dramatically enhanced by recycling the optical energy through an effective optical advection process. We demonstrate theoretically and experimentally that this new advection mechanism permits an efficient control of collective and directional mass transport in colloidal systems. The cooperative long-range interaction between large numbers of particles can be optically manipulated to create complex flow patterns, enabling efficient and tunable transport in microfluidic lab-on-chip platforms. PMID:26440069

  13. Kinetic neoclassical transport in the H-mode pedestal

    SciTech Connect

    Battaglia, D. J.; Chang, C. S.; Ku, S.; Grierson, B. A.; Burrell, K. H.; Grassie, J. S. de

    2014-07-15

    Multi-species kinetic neoclassical transport through the QH-mode pedestal and scrape-off layer on DIII-D is calculated using XGC0, a 5D full-f particle-in-cell drift-kinetic solver with self-consistent neutral recycling and sheath potentials. Quantitative agreement between the flux-driven simulation and the experimental electron density, impurity density, and orthogonal measurements of impurity temperature and flow profiles is achieved by adding random-walk particle diffusion to the guiding-center drift motion. The radial electric field (E{sub r}) that maintains ambipolar transport across flux surfaces and to the wall is computed self-consistently on closed and open magnetic field lines and is in excellent agreement with experiment. The E{sub r} inside the separatrix is the unique solution that balances the outward flux of thermal tail deuterium ions against the outward neoclassical electron flux and inward pinch of impurity and colder deuterium ions. Particle transport in the pedestal is primarily due to anomalous transport, while the ion heat and momentum transport are primarily due to the neoclassical transport. The full-f treatment quantifies the non-Maxwellian energy distributions that describe a number of experimental observations in low-collisionallity pedestals on DIII-D, including intrinsic co-I{sub p} parallel flows in the pedestal, ion temperature anisotropy, and large impurity temperatures in the scrape-off layer.

  14. Delft Mass Transport model DMT-2

    NASA Astrophysics Data System (ADS)

    Ditmar, Pavel; Hashemi Farahani, Hassan; Inacio, Pedro; Klees, Roland; Zhao, Qile; Guo, Jing; Liu, Xianglin; Sun, Yu; Riva, Ricardo; Ran, Jiangjun

    2013-04-01

    Gravity Recovery And Climate Experiment (GRACE) satellite mission has enormously extended our knowledge of the Earth's system by allowing natural mass transport of various origin to be quantified. This concerns, in particular, the depletion and replenishment of continental water stocks; shrinking of polar ice sheets; deformation of the Earth's crust triggered by large earthquakes, and isostatic adjustment processes. A number of research centers compute models of temporal gravity field variations and mass transport, using GRACE data as input. One of such models - Delft Mass Transport model - is being produced at the Delft University of Technology in collaboration with the GNSS Research Center of Wuhan University. A new release of this model, DMT-2, has been produced on the basis of a new (second) release of GRACE level-1b data. This model consists of a time-series of monthly solutions spanning a time interval of more than 8 years, starting from Feb. 2003. Each solution consists of spherical harmonic coefficients up to degree 120. Both unconstrained and optimally filtered solutions are obtained. The most essential improvements of the DMT-2 model, as compared to its predecessors (DMT-1 and DMT-1b), are as follows: (i) improved estimation and elimination of low-frequency noise in GRACE data, so that strong mass transport signals are not damped; (ii) computation of accurate stochastic models of data noise for each month individually with a subsequent application of frequency-dependent data weighting, which allows statistically optimal solutions to be compiled even if data noise is colored and gradually changes in time; (iii) optimized estimation of accelerometer calibration parameters; (iv) incorporation of degree 1 coefficients estimated with independent techniques; (v) usage of state-of-the-art background models to de-alias GRACE data from rapid mass transport signals (this includes the EOT11a model of ocean tides and the latest release of the AOD1B product describing

  15. The negative role of turbulence in estuarine mass transport

    NASA Astrophysics Data System (ADS)

    Nunes Vaz, Richard A.; Lennon, Geoffrey W.; de Silva Samarasinghe, Jayantha R.

    1989-04-01

    It is competition between the various stratifying and mixing influences which determines the character of stratification in an estuary. Borrowing concepts which have been successfully applied to the discussion of stratification in shelf seas, a quantitative basis for determining the potential energy associated with vertical structure in estuaries is derived. The formulation, along similar lines to that of Bowden (1981), provides a simple but comprehensive method of incorporating many relevant stratifying and mixing influences in a given problem, and is also shown to be capable of rearrangement into forms akin to the estuarine Richardson number which is commonly found in discussions of estuarine statification. The paper argues, based on a survey of the literature, that in wide, relatively well-mixed estuaries, the greatest longitudinal mass flux occurs at times when stratification is most developed, that is, when the turbulent kinetic energy in the water column is at a minimum. Modulation of turbulence, principally at various tidal frequencies, causes a pulsing of the mass flux in which the contribution of each pulse increases non-linearly as the period of the modulation increases. Some, possibly significant, changes to the state of stratification and to the corresponding mass transport may occur in association with slack water periods. However, the spring-neap cycle is proposed to have a far greater influence on stratification, mass transport and the long-term mass balance in estuaries, and recent observational studies lend support to this position.

  16. 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

  17. A velocity-dependent anomalous radial transport model for (2-D, 2-V) kinetic transport codes

    NASA Astrophysics Data System (ADS)

    Bodi, Kowsik; Krasheninnikov, Sergei; Cohen, Ron; Rognlien, Tom

    2008-11-01

    Plasma turbulence constitutes a significant part of radial plasma transport in magnetically confined plasmas. This turbulent transport is modeled in the form of anomalous convection and diffusion coefficients in fluid transport codes. There is a need to model the same in continuum kinetic edge codes [such as the (2-D, 2-V) transport version of TEMPEST, NEO, and the code being developed by the Edge Simulation Laboratory] with non-Maxwellian distributions. We present an anomalous transport model with velocity-dependent convection and diffusion coefficients leading to a diagonal transport matrix similar to that used in contemporary fluid transport models (e.g., UEDGE). Also presented are results of simulations corresponding to radial transport due to long-wavelength ExB turbulence using a velocity-independent diffusion coefficient. A BGK collision model is used to enable comparison with fluid transport codes.

  18. Enzymatically driven transport: a kinetic theory for nuclear export.

    PubMed

    Kim, Sanghyun; Elbaum, M

    2013-11-01

    Nuclear import and export are often considered inverse processes whereby transport receptors ferry protein cargo through the nuclear pore. In contrast to import, where the reversible binding of receptor to nuclear RanGTP leads to a balanced bidirectional exchange, termination of export by physiologically irreversible hydrolysis of the Ran-bound GTP leads to unidirectional transport. We present a concise mathematical model that predicts protein distributions and kinetic rates for receptor-mediated nuclear export, which further exhibit an unexpected pseudolinear relation one to the other. Predictions of the model are verified with permeabilized and live cell measurements.

  19. Oxygen Mass Transport in Stented Coronary Arteries.

    PubMed

    Murphy, Eoin A; Dunne, Adrian S; Martin, David M; Boyle, Fergal J

    2016-02-01

    Oxygen deficiency, known as hypoxia, in arterial walls has been linked to increased intimal hyperplasia, which is the main adverse biological process causing in-stent restenosis. Stent implantation has significant effects on the oxygen transport into the arterial wall. Elucidating these effects is critical to optimizing future stent designs. In this study the most advanced oxygen transport model developed to date was assessed in two test cases and used to compare three coronary stent designs. Additionally, the predicted results from four simplified blood oxygen transport models are compared in the two test cases. The advanced model showed good agreement with experimental measurements within the mass-transfer boundary layer and at the luminal surface; however, more work is needed in predicting the oxygen transport within the arterial wall. Simplifying the oxygen transport model within the blood flow produces significant errors in predicting the oxygen transport in arteries. This study can be used as a guide for all future numerical studies in this area and the advanced model could provide a powerful tool in aiding design of stents and other cardiovascular devices.

  20. Kinetic modelling of molecular hydrogen transport in microporous carbon materials.

    SciTech Connect

    Hankel, M.; Zhang, H.; Nguyen, T. X.; Bhatia, S. K.; Gray, S. K.; Smith, S. C.

    2011-01-01

    The proposal of kinetic molecular sieving of hydrogen isotopes is explored by employing statistical rate theory methods to describe the kinetics of molecular hydrogen transport in model microporous carbon structures. A Lennard-Jones atom-atom interaction potential is utilized for the description of the interactions between H{sub 2}/D{sub 2} and the carbon framework, while the requisite partition functions describing the thermal flux of molecules through the transition state are calculated quantum mechanically in view of the low temperatures involved in the proposed kinetic molecular sieving application. Predicted kinetic isotope effects for initial passage from the gas phase into the first pore mouth are consistent with expectations from previous modeling studies, namely, that at sufficiently low temperatures and for sufficiently narrow pore mouths D{sub 2} transport is dramatically favored over H{sub 2}. However, in contrast to expectations from previous modeling, the absence of any potential barrier along the minimum energy pathway from the gas phase into the first pore mouth yields a negative temperature dependence in the predicted absolute rate coefficients - implying a negative activation energy. In pursuit of the effective activation barrier, we find that the minimum potential in the cavity is significantly higher than in the pore mouth for nanotube-shaped models, throwing into question the common assumption that passage through the pore mouths should be the rate-determining step. Our results suggest a new mechanism that, depending on the size and shape of the cavity, the thermal activation barrier may lie in the cavity rather than at the pore mouth. As a consequence, design strategies for achieving quantum-mediated kinetic molecular sieving of H{sub 2}/D{sub 2} in a microporous membrane will need, at the very least, to take careful account of cavity shape and size in addition to pore-mouth size in order to ensure that the selective step, namely passage

  1. Modeling transportation of efavirenz: inference on possibility of mixed modes of transportation and kinetic solubility

    PubMed Central

    Nemaura, Tafireyi

    2015-01-01

    Understanding drug transportation mechanisms in the human body is of paramount importance in modeling Pharmacokinetic-Pharmacodynamic relationships. This work gives a novel general model of efavirenz transportation projections based on concentrations simulated from patients on a dose of 600 mg. The work puts forward a proposition that transportation can wholly be modeled by concentration and time in a uniform volumetric space. Furthermore, movement entities are used to inform the state of “kinetic solubility” of a solution. There is use of Ricker's model, and forms of the Hill's equation in modeling transportation. Characterization on the movement rates of solution particle are suggested in relation to advection rate of solution particle. At turning points on the transportation rate of solution particle vs. concentration curve, a suggestion of possibly change of dominance in the mode of transportation and saturation is made. There are four movement rates postulated at primary micro-level transportation, that are attributed to convection, diffusion [passive transportation (EI)] and energy dependent system transportation (ED) in relation to advection. Furthermore, a new parameter is introduced which is defined as an advection rate constant of solution particle. It is postulated to be dependent on two rate constants of solution particle, that is a convection rate constant of solution particle and a saturable transportation rate constant of solution particle. At secondary micro-level transportation, the results show convection as sum of advection and saturable transportation. The kinetics of dissolution of efavirenz in the solution space is postulated. Relatively, a good level of kinetics of dissolution is projected in the concentration region 0 − 32.82 μg/ml. PMID:26106329

  2. Mass independent kinetic energy reducing inlet system for vacuum environment

    DOEpatents

    Reilly, Peter T. A. [Knoxville, TN

    2010-12-14

    A particle inlet system comprises a first chamber having a limiting orifice for an incoming gas stream and a micrometer controlled expansion slit. Lateral components of the momentum of the particles are substantially cancelled due to symmetry of the configuration once the laminar flow converges at the expansion slit. The particles and flow into a second chamber, which is maintained at a lower pressure than the first chamber, and then moves into a third chamber including multipole guides for electromagnetically confining the particle. The vertical momentum of the particles descending through the center of the third chamber is minimized as an upward stream of gases reduces the downward momentum of the particles. The translational kinetic energy of the particles is near-zero irrespective of the mass of the particles at an exit opening of the third chamber, which may be advantageously employed to provide enhanced mass resolution in mass spectrometry.

  3. Mass independent kinetic energy reducing inlet system for vacuum environment

    DOEpatents

    Reilly, Peter T.A.

    2013-12-03

    A particle inlet system comprises a first chamber having a limiting orifice for an incoming gas stream and a micrometer controlled expansion slit. Lateral components of the momentum of the particles are substantially cancelled due to symmetry of the configuration once the laminar flow converges at the expansion slit. The particles and flow into a second chamber, which is maintained at a lower pressure than the first chamber, and then moves into a third chamber including multipole guides for electromagnetically confining the particle. The vertical momentum of the particles descending through the center of the third chamber is minimized as an upward stream of gases reduces the downward momentum of the particles. The translational kinetic energy of the particles is near-zero irrespective of the mass of the particles at an exit opening of the third chamber, which may be advantageously employed to provide enhanced mass resolution in mass spectrometry.

  4. Mass independent kinetic energy reducing inlet system for vacuum environment

    DOEpatents

    Reilly, Peter T.A.

    2014-05-13

    A particle inlet system comprises a first chamber having a limiting orifice for an incoming gas stream and a micrometer controlled expansion slit. Lateral components of the momentum of the particles are substantially cancelled due to symmetry of the configuration once the laminar flow converges at the expansion slit. The particles and flow into a second chamber, which is maintained at a lower pressure than the first chamber, and then moves into a third chamber including multipole guides for electromagnetically confining the particle. The vertical momentum of the particles descending through the center of the third chamber is minimized as an upward stream of gases reduces the downward momentum of the particles. The translational kinetic energy of the particles is near-zero irrespective of the mass of the particles at an exit opening of the third chamber, which may be advantageously employed to provide enhanced mass resolution in mass spectrometry.

  5. Transport effects on the kinetics of protein-surface binding.

    PubMed Central

    Balgi, G; Leckband, D E; Nitsche, J M

    1995-01-01

    A detailed model is presented for protein binding to active surfaces, with application to the binding of avidin molecules to a biotin-functionalized fiber optic sensor in experiments reported by S. Zhao and W. M. Reichert (American Chemical Society Symposium Series 493, 1992). Kinetic data for binding in solution are used to assign an intrinsic catalytic rate coefficient k to the biotin-avidin pair, deconvoluted from transport and electrostatic factors via application of coagulation theory. This intrinsic chemical constant is built into a reaction-diffusion analysis of surface binding where activity is restricted to localized sites (representing immobilized biotin molecules). The analysis leads to an effective catalytic rate coefficient keff characterizing the active surface. Thereafter, solution of the transport problem describing absorption of avidin molecules by the macroscopic sensor surface leads to predictions of the avidin flux, which are found to be in good agreement with the experimental data. The analysis suggests the following conclusions. 1) Translational diffusion limitations are negligible for avidin-biotin binding in solution owing to the small (kinetically limiting) value k = 0.00045 m/s. 2) The sparse distribution of biotin molecules and the presence of a repulsive hydration force produce an effective surface-average catalytic rate coefficient keff of order 10(-7) m/s, much smaller than k. 3) Avidin binding to the fiber optic sensor occurs in an intermediate regime where the rate is influenced by both kinetics and diffusion. Images FIGURE 1 FIGURE 3 PMID:7647232

  6. Mass transfer kinetics, band broadening and column efficiency.

    PubMed

    Gritti, Fabrice; Guiochon, Georges

    2012-01-20

    Important progress was recently made in our understanding of the physico-chemical aspects of mass transfer kinetics in chromatographic columns, in methods used for accurate determination of the different contributions to the height equivalent to a theoretical plate (HETP), and in the application of these advances to the elucidation of mass transfer mechanisms in columns packed with recent chromatographic supports (sub-2 μm fully porous particles, sub-3 μm core-shell particles, and monoliths). The independent contributions to the HETP are longitudinal diffusion, eddy dispersion, liquid-solid mass transfer (including trans-particle or trans-skeleton mass transfer and external film mass transfer), and the contributions caused by the thermal heterogeneity of the column. The origin and importance of these contributions are investigated in depth. This work underlines the areas in which improvements are needed, an understanding of the contribution of the external film mass transfer term, a better design of HPLC instruments providing a decrease of the extra-column band broadening contributions to the apparent HETP, the development of better packing procedures giving more radially homogeneous column beds, and new packing materials having a higher thermal conductivity to eliminate the nefarious impact of heat effects in very high pressure liquid chromatography (vHPLC) and supercritical fluid chromatography (SFC).

  7. Kinetic Alfven waves and plasma transport at the magnetopause

    SciTech Connect

    Johnson, J.R.; Cheng, C.Z.

    1997-05-01

    Large amplitude compressional type waves, with frequencies ranging from 10--500 mHz, are nearly always found in the magnetosheath near the magnetopause where there are large gradients in density, pressure and magnetic field. As compressional waves propagation to the magnetopause, there gradients efficiently couple them with shear/kinetic Alfven waves near the Alfven field-line resonance location ({omega} = k{sub {parallel}} v{sub A}). The authors present a solution of the kinetic-MHD wave equations for this process using a realistic equilibrium profile including full ion Larmor radius effects and wave-particle resonance interactions for electrons and ions to model the dissipation. For northward IMF a KAW propagates backward to the magnetosheath. For southward IMF the wave remains in the magnetopause but can propagate through the k{sub {parallel}} = 0 location. The quasi-linear theory predicts that KAWs produce plasma transport with a diffusion coefficient D{sub {perpendicular}} {approximately} 10{sup 9} m{sup 2}/s and plasma convection on the order of 1 km/s. However, for southward IMF additional transport can occur because magnetic islands form at the k{sub {parallel}} = 0 location. Due to the broadband nature of the observed waves these islands can overlap leading to stochastic transport which is much larger than that due to quasilinear effects.

  8. Modeling transport kinetics in clinoptilolite-phosphate rock systems

    NASA Technical Reports Server (NTRS)

    Allen, E. R.; Ming, D. W.; Hossner, L. R.; Henninger, D. L.

    1995-01-01

    Nutrient release in clinoptilolite-phosphate rock (Cp-PR) systems occurs through dissolution and cation-exchange reactions. Investigating the kinetics of these reactions expands our understanding of nutrient release processes. Research was conducted to model transport kinetics of nutrient release in Cp-PR systems. The objectives were to identify empirical models that best describe NH4, K, and P release and define diffusion-controlling processes. Materials included a Texas clinoptilolite (Cp) and North Carolina phosphate rock (PR). A continuous-flow thin-disk technique was used. Models evaluated included zero order, first order, second order, parabolic diffusion, simplified Elovich, Elovich, and power function. The power-function, Elovich, and parabolic-diffusion models adequately described NH4, K, and P release. The power-function model was preferred because of its simplicity. Models indicated nutrient release was diffusion controlled. Primary transport processes controlling nutrient release for the time span observed were probably the result of a combination of several interacting transport mechanisms.

  9. Role of Transport and Kinetics in Growth of Renal Stones

    NASA Technical Reports Server (NTRS)

    Kassemi, Mohammad; Iskovitz, Ilana

    2012-01-01

    Renal stone disease is not only a concern on earth but could conceivably pose as a serious risk to the astronauts health and safety in Space. In this paper, a combined transport-kinetics model for growth of calcium oxalate crystals is presented. The model is used to parametrically investigate the growth of renal calculi in urine with a focus on the coupled effects of transport and surface reaction on the ionic concentrations at the surface of the crystal and their impact on the resulting growth rates. It is shown that under nominal conditions of low solution supersaturation and low Damkohler number that typically exist on Earth, the surface concentrations of calcium and oxalate approach their bulk solution values in the urine and the growth rate is most likely limited by the surface reaction kinetics. But for higher solution supersaturations and larger Damkohler numbers that may be prevalent in the microgravity environment of Space, the calcium and oxalate surface concentrations tend to shift more towards their equilibrium or saturation values and thus the growth process may be limited by the transport through the medium. Furthermore, parametric numerical studies suggest that changes to the renal biochemistry of astronauts due in space may promote development of renal calculi during long duration space expeditions.

  10. Kinetic models for nucleocytoplasmic transport of messenger RNA.

    PubMed

    Schröder, H C; Müller, W E; Agutter, P S

    1995-05-21

    Much is known about the mechanism by which mRNAs cross the nuclear envelope (the translocation stage of nucleocytoplasmic transport), but far less is known about the preceding (intranuclear migration/release) and succeeding (cytoplasmic binding) stages. Therefore, existing information suffices for articulating detailed kinetic models of translocation, but not models for the overall mRNA transport process. In this paper, we show that simple kinetic models of translocation can (i) accommodate data about nucleocytoplasmic distributions of endogenous transcripts; (ii) predict the overall effects on these distributions of effectors such as insulin and epidermal growth factor; (iii) throw some light on the mechanism(s) of action of the HIV-1 protein Rev and produce experimentally testable predictions about this mechanism; and (iv) account for the action of influenza virus NS1 protein. However, the simplest forms of translocation models apparently fail to account for some properties of viral regulators such as HIV Rev and adenovirus E1B-E4 complex. To elucidate these topics, less narrowly focused models of mRNA transport are required, describing intranuclear binding/release as well as translocation. On the basis of our examination of translocation models, we suggest some criteria that the requisite broadly based models must satisfy.

  11. Energy and mass transport in the thermosphere

    NASA Technical Reports Server (NTRS)

    Mayr, H. G.; Harris, I.; Spencer, N. W.

    1979-01-01

    Examples illustrating the effects of large scale energy and mass transport in the thermosphere discussed include: (1) The seasonal variations reveal temperature, composition, and ionospheric anomalies involving energy exchange between the thermosphere and mesosphere. (2) The midnight temperature maximum in the thermosphere is interpreted as a signature of tidal waves emanating from the mesosphere and momentum coupling associated with ion drag. (3) The ionospheric storm in the F region illustrates the intricate effects of large scale atmospheric winds driven by magnetospheric energization processes. (4) Atmospheric signatures of Joule heating and electric field momentum coupling are markedly different.

  12. Mass transport in annular spherical system

    NASA Astrophysics Data System (ADS)

    Bauer, Helmut F.

    The mass transport between two concentric spheres with inlet and outlet at the poles was determined for ideal liquid flow (plug flow) and laminar flow for constant concentration at the spherical walls and constant concentration at the inlet. Velocity distribution and local concentration profiles were determined analytically for various widths of the annular spherical conduit and various diffusive flow parameters. It is found that with the increase of this parameter, the decay becomes quite rapid and that the same effect occurs for increasing diameter ratio of the spheres. This configuration may possibly be used as a basic element of an artificial kidney.

  13. Kinetics of lactate transport into rat liver in vivo

    SciTech Connect

    Lupo, M.A.; Cefalu, W.T.; Pardridge, W.M.

    1990-04-01

    Lactate clearance by liver plays an important role in lactate homeostasis and in the development of lactic acidosis. The role of lactate delivery to liver as a limiting factor in hepatic uptake of lactate is unclear. Lactate delivery of mechanisms could be important if rates of lactate transport approximate rates of lactate metabolism by liver. The rates of lactate transport into liver have been determined in vitro with isolated liver cells and the results have been conflicting. Therefore, the present studies measure the rate of transport of (14C)-L-lactate, and its poorly metabolizeable stereoisomer, (14C)-D-lactate, into rat liver in vivo using a portal vein injection technique. The transport of (3H)-water and of (14C)-sucrose, an extracellular reference compound, were also studied. Portal blood flow was determined from the kinetics of (3H)-water efflux in liver and was 1.93 +/- 0.22 mL/min/g. The volumes of distribution of (14C)-L-lactate, and (14C)-sucrose were 1.31 +/- 0.22, 0.71 +/- 0.07, and 0.22 +/- 0.07 mL/g, respectively. The extraction of unidirectional influx of (14C)-L-lactate and (14C)-D-lactate by rat liver was 93% +/- 10% and 91% +/- 9%, respectively. The rate of lactate transport into rat liver in vivo, 1.8 mumols.min-1.g-1, is approximately twofold greater than the rate of lactate metabolism by rat liver reported in the literature. Therefore, lactate uptake by liver may not be limited by transport under normal conditions. However, conditions such as decreased portal blood flow, which slow lactate delivery to liver by 50% or more, could cause lactate uptake by liver to be limited by transport of circulating lactate.

  14. Microbially Mediated Kinetic Sulfur Isotope Fractionation: Reactive Transport Modeling Benchmark

    NASA Astrophysics Data System (ADS)

    Wanner, C.; Druhan, J. L.; Cheng, Y.; Amos, R. T.; Steefel, C. I.; Ajo Franklin, J. B.

    2014-12-01

    Microbially mediated sulfate reduction is a ubiquitous process in many subsurface systems. Isotopic fractionation is characteristic of this anaerobic process, since sulfate reducing bacteria (SRB) favor the reduction of the lighter sulfate isotopologue (S32O42-) over the heavier isotopologue (S34O42-). Detection of isotopic shifts have been utilized as a proxy for the onset of sulfate reduction in subsurface systems such as oil reservoirs and aquifers undergoing uranium bioremediation. Reactive transport modeling (RTM) of kinetic sulfur isotope fractionation has been applied to field and laboratory studies. These RTM approaches employ different mathematical formulations in the representation of kinetic sulfur isotope fractionation. In order to test the various formulations, we propose a benchmark problem set for the simulation of kinetic sulfur isotope fractionation during microbially mediated sulfate reduction. The benchmark problem set is comprised of four problem levels and is based on a recent laboratory column experimental study of sulfur isotope fractionation. Pertinent processes impacting sulfur isotopic composition such as microbial sulfate reduction and dispersion are included in the problem set. To date, participating RTM codes are: CRUNCHTOPE, TOUGHREACT, MIN3P and THE GEOCHEMIST'S WORKBENCH. Preliminary results from various codes show reasonable agreement for the problem levels simulating sulfur isotope fractionation in 1D.

  15. The Multiplexed Chemical Kinetic Photoionization Mass Spectrometer: A New Approach To Isomer-resolved Chemical Kinetics

    SciTech Connect

    Osborne, David L.; Zou, Peng; Johnsen, Howard; Hayden, Carl C.; Taatjes, Craig A.; Knyazev, Vadim D.; North, Simon W.; Peterka, Darcy S.; Ahmed, Musahid; Leone, Stephen R.

    2008-08-28

    We have developed a multiplexed time- and photon-energy?resolved photoionizationmass spectrometer for the study of the kinetics and isomeric product branching of gasphase, neutral chemical reactions. The instrument utilizes a side-sampled flow tubereactor, continuously tunable synchrotron radiation for photoionization, a multi-massdouble-focusing mass spectrometer with 100percent duty cycle, and a time- and positionsensitive detector for single ion counting. This approach enables multiplexed, universal detection of molecules with high sensitivity and selectivity. In addition to measurement of rate coefficients as a function of temperature and pressure, different structural isomers can be distinguished based on their photoionization efficiency curves, providing a more detailed probe of reaction mechanisms. The multiplexed 3-dimensional data structure (intensity as a function of molecular mass, reaction time, and photoionization energy) provides insights that might not be available in serial acquisition, as well as additional constraints on data interpretation.

  16. Mass transfer and transport in salt repositories

    SciTech Connect

    Pigford, T.H.; Chambre, P.L.; Lee, W.W.L.

    1989-02-01

    Salt is a unique rock isolation of nuclear waste because it is dry'' and nearly impermeable. In this paper we summarize some mass-transfer and transport analyses of salt repositories. First we analyses brine migration. Heating by high-level waste can cause brine in grain boundaries to move due to pressure-gradients. We analyze brine migration treating salt as a thermoelastic solid and found that brine migration is transient and localized. We use previously developed techniques to estimate release rates from waste packages by diffusion. Interbeds exist in salt and may be conduits for radionuclide migration. We analyze steady-state migration due to brine flow in the interbed, as a function of the Peclet number. Then we analyze transient mass transfer, both into the interbed and directly to salt, due only to diffusion. Finally we compare mass transfer rates of a waste cylinder in granite facing a fracture and in salt facing an interbed. In all cases, numerical illustrations of the analytic solution are given. 10 refs., 4 figs., 3 tabs.

  17. Variable Charge State Impurities in Coupled Kinetic Plasma-Kinetic Neutral Transport Simulations

    NASA Astrophysics Data System (ADS)

    Stotler, D. P.; Hager, R.; Kim, K.; Koskela, T.; Park, G.

    2015-11-01

    A previous version of the XGC0 neoclassical particle transport code with two fully stripped impurity species was used to study kinetic neoclassical transport in the DIII-D H-mode pedestal. To properly simulate impurities in the scrape-off layer and divertor and to account for radiative cooling, however, the impurity charge state distributions must evolve as the particles are transported into regions of different electron temperatures and densities. To do this, the charge state of each particle in XGC0 is included as a parameter in the list that represents the particle's location in phase space. Impurity ionizations and recombinations are handled with a dedicated collision routine. The associated radiative cooling is accumulated during the process and applied to the electron population later in the time step. The density profiles of the neutral impurities are simulated with the DEGAS 2 neutral transport code and then used as a background for electron impact ionization in XGC0 via a test particle Monte Carlo method analogous to that used for deuterium. This work supported by US DOE contracts DE-AC02-09CH11466.

  18. RADIATIVE AND KINETIC FEEDBACK BY LOW-MASS PRIMORDIAL STARS

    SciTech Connect

    Whalen, Daniel; Hueckstaedt, Robert M.; McConkie, Thomas O.

    2010-03-20

    Ionizing UV radiation and supernova (SN) flows amidst clustered minihalos at high redshift regulated the rise of the first stellar populations in the universe. Previous studies have addressed the effects of very massive primordial stars on the collapse of nearby halos into new stars, but the absence of the odd-even nucleosynthetic signature of pair-instability SNe in ancient metal-poor stars suggests that Population III stars may have been less than 100 M{sub sun}. We extend our earlier survey of local UV feedback on star formation to 25-80 M{sub sun} stars and include kinetic feedback by SNe for 25-40 M{sub sun} stars. We find radiative feedback to be relatively uniform over this mass range, primarily because the larger fluxes of more massive stars are offset by their shorter lifetimes. Our models demonstrate that prior to the rise of global UV backgrounds, Lyman-Werner (LW) photons from nearby stars cannot prevent halos from forming new stars. These calculations also reveal that violent dynamical instabilities can erupt in the UV radiation front enveloping a primordial halo, but that they ultimately have no effect on the formation of a star. Finally, our simulations suggest that relic H II regions surrounding partially evaporated halos may expel LW backgrounds at lower redshifts, allowing stars to form that were previously suppressed. We provide fits to radiative and kinetic feedback on star formation for use in both semianalytic models and numerical simulations.

  19. Kinetic modeling of virus transport at the field scale.

    PubMed

    Schijven, Jack F; Simůnek, Jirí

    2002-03-01

    Bacteriophage removal by soil passage in two field studies was re-analyzed with the goal to investigate differences between one- and two-dimensional modeling approaches, differences between one- and two-site kinetic sorption models, and the role of heterogeneities in the soil properties. The first study involved removal of bacteriophages MS2 and PRDI by dune recharge, while the second study represented removal of MS2 by deep well injection. In both studies, removal was higher during the first meters of soil passage than thereafter. The software packages HYDRUS-ID and HYDRUS-2D, which simulate water flow and solute transport in one- and two-dimensional variably saturated porous media, respectively, were used. The two codes were modified by incorporating reversible adsorption to two types of kinetic sites. Tracer concentrations were used first to calibrate flow and transport parameters of both models before analyzing transport of bacteriophages. The one-dimensional one-site model did not fully describe the tails of the measured breakthrough curves of MS2 and PRD1 from the dune recharge study. While the one-dimensional one-site model predicted a sudden decrease in virus concentrations immediately after the peaks, measured data displayed much smoother decline and tailing. The one-dimensional two-site model simulated the overall behavior of the breakthrough curves very well. The two-dimensional one-site model predicted a more gradual decrease in virus concentrations after the peaks than the one-dimensional one-site model, but not as good as the one-dimensional two-site model. The dimensionality of the problem hence can partly explain the smooth decrease in concentration after peak breakthrough. The two-dimensional two-site model provided the best results. Values for k(att2) and k(det2) could not be determined at the last two of four monitoring wells, thus suggesting that either a second type of kinetic sites is present in the first few meters of dune passage and not

  20. Plasma transport induced by kinetic Alfven wave turbulence

    SciTech Connect

    Izutsu, T.; Hasegawa, H.; Fujimoto, M.; Nakamura, T. K. M.

    2012-10-15

    At the Earth's magnetopause that separates the hot-tenuous magnetospheric plasma from the cold dense solar wind plasma, often seen is a boundary layer where plasmas of both origins coexist. Plasma diffusions of various forms have been considered as the cause of this plasma mixing. Here, we investigate the plasma transport induced by wave-particle interaction in kinetic Alfven wave (KAW) turbulence, which is one of the candidate processes. We clarify that the physical origin of the KAW-induced cross-field diffusion is the drift motions of those particles that are in Cerenkov resonance with the wave: E Multiplication-Sign B-like drift that emerges in the presence of non-zero parallel electric field component and grad-B drift due to compressional magnetic fluctuations. We find that KAW turbulence, which has a spectral breakpoint at which an MHD inertial range transits to a dissipation range, causes selective transport for particles whose parallel velocities are specified by the local Alfven velocity and the parallel phase velocity at the spectral breakpoint. This finding leads us to propose a new data analysis method for identifying whether or not a mixed plasma in the boundary layer is a consequence of KAW-induced transport across the magnetopause. The method refers to the velocity space distribution function data obtained by a spacecraft that performs in situ observations and, in principle, is applicable to currently available dataset such as that provided by the NASA's THEMIS mission.

  1. Improved kinetic neoclassical transport calculation for a low-collisionality QH-mode pedestal

    NASA Astrophysics Data System (ADS)

    Battaglia, D. J.; Burrell, K. H.; Chang, C. S.; deGrassie, J. S.; Grierson, B. A.; Groebner, R. J.; Hager, R.

    2016-08-01

    The role of neoclassical, anomalous and neutral transport to the overall H-mode pedestal and scrape-off layer (SOL) structure in an ELM-free QH-mode discharge on DIII-D is explored using XGC0, a 5D full-f multi-species particle-in-cell drift-kinetic solver with self-consistent neutral recycling and sheath potentials. The work in this paper builds on previous work aimed at achieving quantitative agreement between the flux-driven simulation and the experimental electron density, impurity density and orthogonal measurements of impurity temperature and flow profiles. Improved quantitative agreement is achieved by performing the calculations with a more realistic electron mass, larger neutral density and including finite-Larmor-radius corrections self-consistently in the drift-kinetic motion of the particles. Consequently, the simulations provide stronger evidence that the radial electric field ({{E}\\text{r}} ) in the pedestal is primarily established by the required balance between the loss of high-energy tail main ions against a pinch of colder main ions and impurities. The kinetic loss of a small population of ions carrying a large proportion of energy and momentum leads to a separation of the particle and energy transport rates and introduces a source of intrinsic edge torque. Ion orbit loss and finite orbit width effects drive the energy distributions away from Maxwellian, and describe the anisotropy, poloidal asymmetry and local minimum near the separatrix observed in the {{T}i} profile.

  2. A new approach in the kinetics of biological transport. The potential of reversible inhibition studies.

    PubMed

    Devés, R; Krupka, R M

    1978-06-16

    Kinetic equations are derived for reversible inhibition of both active and facilitated transport systems for seven common experimental arrangements. It is shown that the unique features of transport kinetics may be exploited to give new kinds of information. It is also shown that that the familiar rules of enzyme kinetics, though often applied to transport, can be seriously misleading. The analysis leads to the following general conclusions: (1) A competitive mechanism frequently gives rise to non-competitive kinetics, depending on the experimental design, but a non-competitive mechanism never produces competitive kinetics. (2) Inhibition studies on exchange diffusion at equilibrium in non-active systems or in the final steady state in active systems are the only unambiguous kinetic tests to distinguish competitive from non-competitive mechanisms. (3) Substrate analogs that are bound to the carrier and transported are readily distinguished by inhibition kinetics from those not transported, even though both may rapidly enter the cell by another route. (4) Even in non-active systems competitive inhibitors commonly have far different affinities for the substrate sites on the two membranes faces: where sufficient non-polarity allows their penetration into the cell, inhibition kinetics readily establish such sideness in their action. (5) Inhibition kinetics of the mixed competitive and non-competitive type result from moderately asymmetrical binding of inhibitor at the substrate site. (6) Asymmetry is a necessary feature of active transport: hence studies of inhibition kinetics should provide important insights into its mechanism.

  3. Mass transport enhancement in modified supercritical fluid

    SciTech Connect

    Abaroudi, K.; Trabelsi, F.; Calloud-Gabriel, B.; Recasens, F.

    1999-09-01

    In this paper, the supercritical-fluid extraction (SCFE) of a packed bed of {beta}-naphthol-impregnated porous pellets was studied. An increasing number of industrial SCFE processes involve the extraction of a solute retained within a porous matrix, usually in the form of seeds or irregular grains. The interest in high-pressure extraction is due to certain advantages of dense gases and near-critical solvents over conventional liquid solvents. In this study, modified carbon dioxide was the fluid studied. The effects of temperature, pressure, fluid velocity, particle size, and gravity were experimentally studied using carbon dioxide, pure or mixed with varying amounts of toluene (6%, and 10%). For the solute, {beta}-naphthol, the solubilities in SC carbon dioxide mixtures (from 0 to 10% toluene) were available from separate experiments. The dispersed plug-flow model was used to describe the nonideal flow. Fitting the experimental data with the model solution allowed the measurements of the fluid-to-particle mass transfer coefficient, the intraparticle diffusivity, and the axial dispersion coefficient (the latter in terms of the axial Peclet number). The influence of cosolvent concentration on the three transport parameters, which were not available so far, is presented.

  4. Mass transfer kinetics during osmotic dehydration of pomegranate arils.

    PubMed

    Mundada, Manoj; Hathan, Bahadur Singh; Maske, Swati

    2011-01-01

    The mass transfer kinetics during osmotic dehydration of pomegranate arils in osmotic solution of sucrose was studied to increase palatability and shelf life of arils. The freezing of the whole pomegranate at -18 °C was carried out prior to osmotic dehydration to increase the permeability of the outer cellular layer of the arils. The osmotic solution concentrations used were 40, 50, 60°Bx, osmotic solution temperatures were 35, 45, 55 °C. The fruit to solution ratio was kept 1:4 (w/w) during all the experiments and the process duration varied from 0 to 240 min. Azuara model and Peleg model were the best fitted as compared to other models for water loss and solute gain of pomegranate arils, respectively. Generalized Exponential Model had an excellent fit for water loss ratio and solute gain ratio of pomegranate arils. Effective moisture diffusivity of water as well as solute was estimated using the analytical solution of Fick's law of diffusion. For above conditions of osmotic dehydration, average effective diffusivity of water loss and solute gain varied from 2.718 × 10(-10) to 5.124 × 10(-10) m(2)/s and 1.471 × 10(-10) to 5.147 × 10(-10) m(2)/s, respectively. The final product was successfully utilized in some nutritional formulations such as ice cream and bakery products. PMID:21535673

  5. Biological conversion of synthesis gas. Mass transfer/kinetic studies

    SciTech Connect

    Klasson, K.T.; Basu, R.; Johnson, E.R.; Clausen, E.C.; Gaddy, J.L.

    1992-03-01

    Mass transfer and kinetic studies were carried out for the Rhodospirillum rubrum and Chlorobium thiosulfatophilum bacterial systems. R. rubrum is a photosynthetic anaerobic bacterium which catalyzes the biological water gas shift reaction: CO + H{sub 2}0 {yields} CO{sub 2} + H{sub 2}. C. thiosulfatophilum is also a H{sub 2}S and COS to elemental sulfur. The growth of R. rubrum may be satisfactorily carried out at 25{degree} and 30{degree}C, while CO uptake and thus the conversion of CO best occurs at temperatures of either 30{degree}, 32{degree} or 34{degree}C. The rate of conversion of COs and H{sub 2}O to CO{sub 2} and H{sub 2}S may be modeled by a first order rate expression. The rate constant at 30{degree}C was found to be 0.243 h{sup {minus}1}. The growth of C. thiosulfatophilum may be modeled in terms of incoming light intensity using a Monod equation: {mu} = {sub 351} + I{sub o}/{sup 0.152}I{sub o}. Comparisons of the growth of R. rubrum and C. thiosulfatophilum shows that the specific growth rate of C. thiosulfatophilum is much higher at a given light intensity.

  6. DIRECT COMPARISON OF KINETIC AND LOCAL EQUILIBRIUM FORMULATIONS FOR SOLUTE TRANSPORT AFFECTED BY SURFACE REACTIONS.

    USGS Publications Warehouse

    Bahr, Jean M.; Rubin, Jacob

    1987-01-01

    Modeling transport of reacting solutes in porous media often requires a choice between models based on the local equilibrium assumption (LEA) and models involving reaction kinetics. Direct comparison of the mathematical formulations for these two types of transport models can aid in this choice. For cases of transport affected by surface reaction, such a comparison is made possible by a new derivation procedure. This procedure yields a kinetics-based formulation that is the sum of the LEA formulation and one or more kinetically influenced terms. The dimensionless form of the new kinetics-based formulation facilitates identification of critical parameter groupings which control the approach to transport behavior consistent with LEA model predictions. Results of numerical experiments demonstrate that criteria for LEA applicability can be expressed conveniently in terms of these parameter groupings. The derivation procedure is demonstrated for examples of surface reactions including first-order reversible sorption, Langmuir-type kinetics and binary, homovalent ion exchange.

  7. Thermal /Soret/ diffusion effects on interfacial mass transport rates

    NASA Technical Reports Server (NTRS)

    Rosner, D. E.

    1980-01-01

    It is shown that thermal (Soret) diffusion significantly alters convective mass transport rates and important transition temperatures in highly nonisothermal flow systems involving the transport of 'heavy' species (vapors or particles). Introduction of the Soret transport term is shown to result in mass transfer effects similar to those of 'suction' and a homogeneous chemical 'sink'. It is pointed out that this analogy provides a simple method of correlating and predicting thermal diffusion effects in the abovementioned systems.

  8. Computational methods for multiphase equilibrium and kinetics calculations for geochemical and reactive transport applications

    NASA Astrophysics Data System (ADS)

    Leal, Allan; Saar, Martin

    2016-04-01

    Computational methods for geochemical and reactive transport modeling are essential for the understanding of many natural and industrial processes. Most of these processes involve several phases and components, and quite often requires chemical equilibrium and kinetics calculations. We present an overview of novel methods for multiphase equilibrium calculations, based on both the Gibbs energy minimization (GEM) approach and on the solution of the law of mass-action (LMA) equations. We also employ kinetics calculations, assuming partial equilibrium (e.g., fluid species in equilibrium while minerals are in disequilibrium) using automatic time stepping to improve simulation efficiency and robustness. These methods are developed specifically for applications that are computationally expensive, such as reactive transport simulations. We show how efficient the new methods are, compared to other algorithms, and how easy it is to use them for geochemical modeling via a simple script language. All methods are available in Reaktoro, a unified open-source framework for modeling chemically reactive systems, which we also briefly describe.

  9. Density Functional Theory Calculations of Mass Transport in UO2

    SciTech Connect

    Andersson, Anders D.; Dorado, Boris; Uberuaga, Blas P.; Stanek, Christopher R.

    2012-06-26

    In this talk we present results of density functional theory (DFT) calculations of U, O and fission gas diffusion in UO{sub 2}. These processes all impact nuclear fuel performance. For example, the formation and retention of fission gas bubbles induce fuel swelling, which leads to mechanical interaction with the clad thereby increasing the probability for clad breach. Alternatively, fission gas can be released from the fuel to the plenum, which increases the pressure on the clad walls and decreases the gap thermal conductivity. The evolution of fuel microstructure features is strongly coupled to diffusion of U vacancies. Since both U and fission gas transport rates vary strongly with the O stoichiometry, it is also important to understand O diffusion. In order to better understand bulk Xe behavior in UO{sub 2{+-}x} we first calculate the relevant activation energies using DFT techniques. By analyzing a combination of Xe solution thermodynamics, migration barriers and the interaction of dissolved Xe atoms with U, we demonstrate that Xe diffusion predominantly occurs via a vacancy-mediated mechanism. Since Xe transport is closely related to diffusion of U vacancies, we have also studied the activation energy for this process. In order to explain the low value of 2.4 eV found for U migration from independent damage experiments (not thermal equilibrium) the presence of vacancy clusters must be included in the analysis. Next we investigate species transport on the (111) UO{sub 2} surface, which is motivated by the formation of small voids partially filled with fission gas atoms (bubbles) in UO{sub 2} under irradiation. Surface diffusion could be the rate-limiting step for diffusion of such bubbles, which is an alternative mechanism for mass transport in these materials. As expected, the activation energy for surface diffusion is significantly lower than for bulk transport. These results are further discussed in terms of engineering-scale fission gas release models

  10. Computational implementation of interfacial kinetic transport theory for water vapour transport in porous media.

    PubMed

    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.

  11. Mass transport model through the skin by microencapsulation system.

    PubMed

    Carreras, Núria; Alonso, Cristina; Martí, Meritxell; Lis, Manel J

    2015-01-01

    Skin drug delivery can be subdivided into topical and transdermal administration. Transdermal administration can take advantage of chemical and physical strategies that can improve skin permeability and allow drug penetration. In this study, the development of a skin penetration profile was carried out by an in vitro technique for a microencapsulated system of ibuprofen. Release experiments were performed using percutaneous absorption tests to determine the evolution of the principle present in each of the different skin compartments as a function of time. A general kinetic model for a microencapsulated structure as a mass transport system through the skin was applied: [Formula: see text] This model could predict the penetration profile of encapsulated substances through skin from biofunctional textiles as well as estimate the dosage profile of the active principle. The apparent diffusion coefficients found were 1.20 × 10(-7 )cm/s for the stratum corneum and higher for the rest of the skin 6.67 × 10(-6 )cm/s. PMID:26004367

  12. Transport in Halobacterium Halobium: Light-Induced Cation-Gradients, Amino Acid Transport Kinetics, and Properties of Transport Carriers

    NASA Technical Reports Server (NTRS)

    Lanyi, Janos K.

    1977-01-01

    Cell envelope vesicles prepared from H. halobium contain bacteriorhodopsin and upon illumination protons are ejected. Coupled to the proton motive force is the efflux of Na(+). Measurements of Na-22 flux, exterior pH change, and membrane potential, Delta(psi) (with the dye 3,3'-dipentyloxadicarbocyanine) indicate that the means of Na(+) transport is sodium/proton exchange. The kinetics of the pH changes and other evidence suggests that the antiport is electrogenic (H(+)/Na(++ greater than 1). The resulting large chemical gradient for Na(+) (outside much greater than inside), as well as the membrane potential, will drive the transport of 18 amino acids. The I9th, glutamate, is unique in that its accumulation is indifferent to Delta(psi): this amino acid is transported only when a chemical gradient for Na(+) is present. Thus, when more and more NaCl is included in the vesicles glutamate transport proceeds with longer and longer lags. After illumination the gradient of H+() collapses within 1 min, while the large Na(+) gradient and glutamate transporting activity persists for 10- 15 min, indicating that proton motive force is not necessary for transport. A chemical gradient of Na(+), arranged by suspending vesicles loaded with KCl in NaCl, drives glutamate transport in the dark without other sources of energy, with V(sub max) and K(sub m) comparable to light-induced transport. These and other lines of evidence suggest that the transport of glutamate is facilitated by symport with Na(+), in an electrically neutral fashion, so that only the chemical component of the Na(+) gradient is a driving force.

  13. Improved kinetic neoclassical transport calculation for a low-collisionality QH-mode pedestal

    DOE PAGESBeta

    Battaglia, D. J.; Burrell, K. H.; Chang, C. S.; deGrassie, J. S.; Grierson, B. A.; Groebner, R. J.; Hager, R.

    2016-07-15

    The role of neoclassical, anomalous and neutral transport to the overall H-mode pedestal and scrape-off layer (SOL) structure in an ELM-free QH-mode discharge on DIII-D is explored using XGC0, a 5D full-f multi-species particle-in-cell drift-kinetic solver with self-consistent neutral recycling and sheath potentials. The work in this paper builds on previous work aimed at achieving quantitative agreement between the flux-driven simulation and the experimental electron density, impurity density and orthogonal measurements of impurity temperature and flow profiles. Improved quantitative agreement is achieved by performing the calculations with a more realistic electron mass, larger neutral density and including finite-Larmor-radius corrections self-consistentlymore » in the drift-kinetic motion of the particles. Consequently, the simulations provide stronger evidence that the radial electric field (E-r) in the pedestal is primarily established by the required balance between the loss of high-energy tail main ions against a pinch of colder main ions and impurities. The kinetic loss of a small population of ions carrying a large proportion of energy and momentum leads to a separation of the particle and energy transport rates and introduces a source of intrinsic edge torque. Ion orbit loss and finite orbit width effects drive the energy distributions away from Maxwellian, and describe the anisotropy, poloidal asymmetry and local minimum near the separatrix observed in the T-i profile.« less

  14. Microbial respiration and dissolution precipitation reactions of minerals: thermo-kinetics and reactive transport modelling

    NASA Astrophysics Data System (ADS)

    Azaroual, M. M.; Parmentier, M.; Andre, L.; Croiset, N.; Pettenati, M.; Kremer, S.

    2010-12-01

    Microbial processes interact closely with abiotic geochemical reactions and mineralogical transformations in several hydrogeochemical systems. Reactive transport models are aimed to analyze these complex mechanisms integrating as well as the degradation of organic matter as the redox reactions involving successive terminal electron acceptors (TEAPs) mediated by microbes through the continuum of unsaturated zone (soil) - saturated zone (aquifer). The involvement of microbial processes in reactive transport in soil and subsurface geologic greatly complicates the mastery of the major mechanisms and the numerical modelling of these systems. The introduction of kinetic constraints of redox reactions in aqueous phase requires the decoupling of equilibrium reactions and the redefinition of mass balance of chemical elements including the concept of basis species and secondary species of thermodynamic databases used in geochemical modelling tools. An integrated methodology for modelling the reactive transport has been developed and implemented to simulate the transfer of arsenic, denitrification processes and the role of metastable aqueous sulfur species with pyrite and organic matter as electron donors entities. A mechanistic rate law of microbial respiration in various geochemical environments was used to simulate reactive transport of arsenic, nitrate and organic matter combined to the generalized rate law of mineral dissolution - precipitation reactions derived from the transition state theory was used for dissolution - precipitation of silica, aluminosilicate, carbonate, oxyhydroxide, and sulphide minerals. The kinetic parameters are compiled from the literature measurements based on laboratory constrained experiments and field observations. Numerical simulations, using the geochemical software PHREEQC, were performed aiming to identify the key reactions mediated by microbes in the framework of in the first hand the concept of the unsaturated - saturated zones of an

  15. Estimation of moisture transport coefficients in porous materials using experimental drying kinetics

    NASA Astrophysics Data System (ADS)

    Zaknoune, A.; Glouannec, P.; Salagnac, P.

    2012-02-01

    From experimental drying kinetics, an inverse technique is used to evaluate the moisture transport coefficients in building hygroscopic porous materials. Based on the macroscopic approach developed by Whitaker, a one-dimensional mathematical model is developed to predict heat and mass transfers in porous material. The parameters identification is made by the minimisation of the square deviation between numerical and experimental values of the surface temperature and the average moisture content. Two parameters of an exponential function describing the liquid phase transfer and one parameter relative to the diffusion of the vapour phase are identified. To ensure the feasibility of the estimation method, it is initially validated with cellular concrete and applied to lime paste.

  16. Enhancement of binding kinetics on affinity substrates by laser point heating induced transport.

    PubMed

    Wang, Bu; Cheng, Xuanhong

    2016-03-01

    Enhancing the time response and detection limit of affinity-binding based biosensors is an area of active research. For diffusion limited reactions, introducing active mass transport is an effective strategy to reduce the equilibration time and improve surface binding. Here, a laser is focused on the ceiling of a microchamber to generate point heating, which introduces natural advection and thermophoresis to promote mass transport to the reactive floor. We first used the COMSOL simulation to study how the kinetics of ligand binding is influenced by the optothermal effect. Afterwards, binding of biotinylated nanoparticles to NeutrAvidin-treated substrates is quantitatively measured with and without laser heating. It is discovered that laser induced point heating reduces the reaction half-life locally, and the reduction improves with the natural advection velocity. In addition, non-uniform ligand binding on the substrate is induced by the laser with predictable binding patterns. This optothermal strategy holds promise to improve the time-response and sensitivity of biosensors and microarrays. PMID:26898559

  17. A KINETIC MODEL FOR CELL DENSITY DEPENDENT BACTERIAL TRANSPORT IN POROUS MEDIA

    EPA Science Inventory

    A kinetic transport model with the ability to account for variations in cell density of the aqueous and solid phases was developed for bacteria in porous media. Sorption kinetics in the advective-dispersive-sorptive equation was described by assuming that adsorption was proportio...

  18. Ligand-receptor interaction rates in the presence of convective mass transport.

    PubMed Central

    Model, M A; Omann, G M

    1995-01-01

    The rate of binding of a ligand to receptors on the cell surface can be diffusion limited. We analyze the kinetics of binding, diffusion-limited in a stationary liquid, in the presence of convective mass transport. We derive a formula that expresses the reaction kinetics in terms of the mass transfer coefficient. A moderately transport-limited kinetics is not readily recognizable from the shape of the binding curve and may lead to erroneous estimates of the rate coefficients. We apply our results to practically important cases: a cell suspension in a stirred volume of liquid and a confluent cell colony under a laminar stream. Using typical numbers characterizing the ligand-receptor interactions, we show that stirring and perfusion can be important factors determining the reaction rates. With the confluent colony, the early reaction kinetics requires a different treatment, and we provide it for the case of low receptor occupancy. We show that, even with a fast perfusion, a cell monolayer can transiently generate a zone of depletion of the ligand, and that would affect the early stages of the reaction. Our results are expressed in a simple analytical form and can be used for the design and interpretation of experimental data. PMID:8580315

  19. Bilayer mass transport model for determining swelling and diffusion in coated, ultrathin membranes.

    PubMed

    Nadermann, Nichole K; Chan, Edwin P; Stafford, Christopher M

    2015-02-18

    Water transport and swelling properties of an ultrathin, selective polyamide layer with a hydrophilic polymer coating, i.e., a polymer bilayer, are studied using quartz crystal microbalance with dissipation (QCM-D). Specifically, QCM-D is used to measure the dynamic and equilibrium change in mass in a series of differential sorption experiments to determine the dependence of the apparent diffusion coefficient and equilibrium swelling of the bilayer as a function of the water vapor activity. To determine transport properties specific to the polyamide layer, sorption kinetics of the bilayer was modeled with a bilayer mass transport model. The swelling and water diffusion coefficients are interpreted according to the Painter-Shenoy polymer network swelling model and the solution-diffusion model, respectively.

  20. Determination of thermodynamic and kinetic properties of biomolecules by mass spectrometry.

    PubMed

    Gülbakan, Basri; Barylyuk, Konstantin; Zenobi, Renato

    2015-02-01

    Over the past two decades, mass spectrometry (MS) has transformed the life sciences. The advances in understanding biomolecule structure and function by MS is progressing at an accelerated pace. MS has also largely been applied to study thermodynamic and kinetic structure of biomolecules. Herein, we highlight the recent discussions about native mass spectrometry and studies about determining stable gas phase structures, hydrogen/deuterium exchange studies about reaction kinetics and determination of binding constants of biomolecules with their ligands.

  1. Pediatric and neonatal interfacility transport medicine after mass casualty incidents.

    PubMed

    Lowe, Calvin G

    2009-08-01

    Pediatric and neonatal interfacility transport medicine is a relatively young but a rapidly evolving specialty. Transport teams are essential for the safe interfacility movement of critically ill patients. A mass casualty incident (MCI) can present major challenges for a critical care transport team. This article will examine the capabilities and limitations of pediatric and neonatal critical care transport teams. The predicaments brought about by Hurricane Katrina that hindered the evacuation of pediatric and neonatal patients out of ravaged hospitals are also reviewed. From these experiences, recommendations to improve the efficiency and efficacy of interfacility transport of pediatric patients will be presented.

  2. Mass transport by mode-2 internal solitary-like waves

    NASA Astrophysics Data System (ADS)

    Deepwell, David; Stastna, Marek

    2016-05-01

    We present the first three-dimensional numerical simulations of the mass transport capabilities of mode-2 waves formed by a lock-release mechanism with both single and double pycnocline stratifications. Single pycnoclines and double pycnoclines with a small spacing between the pycnocline centres were found to exhibit large Lee instabilities which formed during the collapse of the intermediate density region. These instabilities led to the generation of vorticity dipoles across the mid-depth, and thereby contributed to the reduction in the mass transported by the wave. A double pycnocline with a separation of approximately 12% of the depth between the two pycnocline centres was found to transport a passive tracer optimally for the longest time-period. Increasing Schmidt number correlated with increasing mass transport, while decreasing the tracer diffusivity led to increasing mass transport, but only when a trapped core existed. Contrasted two-dimensional simulations reveal that in certain cases, most noticeably the optimal transport case, the mass transport is significantly different from the corresponding three-dimensional simulation.

  3. Implementation of an anomalous radial transport model for continuum kinetic edge codes

    NASA Astrophysics Data System (ADS)

    Bodi, K.; Krasheninnikov, S. I.; Cohen, R. H.; Rognlien, T. D.

    2007-11-01

    Radial plasma transport in magnetic fusion devices is often dominated by plasma turbulence compared to neoclassical collisional transport. Continuum kinetic edge codes [such as the (2d,2v) transport version of TEMPEST and also EGK] compute the collisional transport directly, but there is a need to model the anomalous transport from turbulence for long-time transport simulations. Such a model is presented and results are shown for its implementation in the TEMPEST gyrokinetic edge code. The model includes velocity-dependent convection and diffusion coefficients expressed as a Hermite polynominals in velocity. The specification of the Hermite coefficients can be set, e.g., by specifying the ratio of particle and energy transport as in fluid transport codes. The anomalous transport terms preserve the property of no particle flux into unphysical regions of velocity space. TEMPEST simulations are presented showing the separate control of particle and energy anomalous transport, and comparisons are made with neoclassical transport also included.

  4. Mass Transportation Operators' Beliefs about Visual Impairment.

    ERIC Educational Resources Information Center

    Almon, Pamela A.

    2001-01-01

    A study investigated 171 mass transit operators' beliefs about blindness and the factors that may influence their beliefs. There were statistically significant differences among transit operators' beliefs on the basis of the operators' ethnicity. White participants had significantly fewer irrational beliefs about blindness than Hispanic and…

  5. Space Geodesy Monitoring Mass Transport in Global Geophysical Fluids

    NASA Technical Reports Server (NTRS)

    Chao, Benjamin F.

    2004-01-01

    Mass transports occurring in the atmosphere-hydrosphere-cryosphere-solid Earth-core system (the 'global geophysical fluids') are important geophysical phenomena. They occur on all temporal and spatial scales. Examples include air mass and ocean circulations, oceanic and solid tides, hydrological water and idsnow redistribution, mantle processes such as post-glacial rebound, earthquakes and tectonic motions, and core geodynamo activities. The temporal history and spatial pattern of such mass transport are often not amenable to direct observations. Space geodesy techniques, however, have proven to be an effective tool in monitorihg certain direct consequences of the mass transport, including Earth's rotation variations, gravitational field variations, and the geocenter motion. Considerable advances have been made in recent years in observing and understanding of these geodynamic effects. This paper will use several prominent examples to illustrate the triumphs in research over the past years under a 'Moore's law' in space geodesy. New space missions and projects promise to further advance our knowledge about the global mass transports. The latter contributes to our understanding of the geophysical processes that produce and regulate the mass transports, as well as of the solid Earth's response to such changes in terms of Earth's mechanical properties.

  6. Kinetics of hot-gas desulfurization sorbents for transport reactors

    SciTech Connect

    K.C. Kwon

    2000-01-01

    Hot-gas desulfurization for the integrated gasification combined cycle (IGCC) process has been investigated by many researchers to remove effectively hydrogen sulfide with various metal oxide sorbents at elevated temperatures. Various metal oxide sorbents are formulated with metal oxides such as Fe, Co, Zn, and Ti. Initial reaction kinetics of formulated sorbents with hydrogen sulfide is studied in the presence of various amounts of moisture and hydrogen at various reaction temperatures. The objectives of this research are to study initial reaction kinetics for a sorbent-hydrogen sulfide heterogeneous reaction system, to investigate effects of concentrations of hydrogen sulfide, hydrogen, and moisture on dynamic absorption of H{sub 2}S into sorbents, to understand effects of space time of reaction gas mixtures on initial reaction kinetics of the sorbent-hydrogen sulfide system, and to evaluate effects of temperature and sorbent amounts on dynamic absorption of H{sub 2}S into sorbents. Experimental data on initial reaction kinetics of hydrogen sulfide with metal oxide sorbents were obtained with a 0.83-cm{sup 3} differential reactor. The reactivity of MCRH-67 sorbent and AHI-1 was examined. These sorbents were obtained from the Research Triangle Institute (RTI). The sorbents in the form of 70 {micro}m particles are reacted with 1,000--4,000 ppm hydrogen sulfide at 450--600 C. The range of space time of reaction gas mixtures is 0.03--0.09 s. The range of reaction duration is 4--14,400 s.

  7. Kinetically influenced terms for solute transport affected by heterogeneous and homogeneous classical reactions

    USGS Publications Warehouse

    Bahr, J.M.

    1990-01-01

    This paper extends a four-step derivation procedure, previously presented for cases of transport affected by surface reactions, to transport problems involving homogeneous reactions. Derivations for these classes of reactions are used to illustrate the manner in which mathematical differences between reaction classes are reflected in the mathematical derivation procedures required to identify kinetically influenced terms. Simulation results for a case of transport affected by a single solution phase complexation reaction and for a case of transport affected by a precipitation-dissolution reaction are used to demonstrate the nature of departures from equilibrium-controlled transport as well as the use of kinetically influenced terms in determining criteria for the applicability of the local equilibrium assumption. A final derivation for a multireaction problem demonstrates the application of the generalized procedure to a case of transport affected by reactions of several classes. -from Author

  8. Mass transport limitation in implantable defibrillator batteries

    NASA Astrophysics Data System (ADS)

    Schmidt, C.; Tam, G.; Scott, E.; Norton, J.; Chen, K.

    Using cells with lithium reference electrodes, the power-limiting behavior in the lithium-SVO cell was shown to be due to a rapid voltage transition at the anode. A novel test cell was developed to explore the influence of current density, bulk LiAsF 6 concentration, separator type and separator proximity to the anode on the time to onset ( τ) of the anode polarization. The results were found to follow a relationship, iτ1/2∝ Cbulk, consistent with the Sand equation. This relationship also predicts that the critical concentration of LiAsF 6, at which onset of the anode polarization occurs, is near the solubility limit of LiAsF 6 in our system (around 3.5-4.0 M). This general phenomenon was found to be quantitatively similar for two dissimilar separator types, and the anode polarization could also be induced in the absence of separator at high concentration and current density. However, it appears that τ decreases with closer proximity of the separator to the anode surface (i.e. cell stack pressure), suggesting that the effect of separator is to inhibit convective transport to and from the Li surface.

  9. Frontiers in Cancer Nanomedicine: Directing Mass Transport through Biological Barriers

    PubMed Central

    Ferrari, Mauro

    2010-01-01

    The physics of mass transport within body compartments and across biological barriers differentiates cancers from healthy tissues. Variants of nanoparticles can be manufactured in combinatorially large sets, varying only one transport-affecting design parameter at a time. Nanoparticles can also be used as building blocks for systems that perform sequences of coordinated actions, in accordance to a prescribed logic. These are referred to as Logic-Embedded Vectors “(LEV)” in the following. Nanoparticles and LEVs are ideal probes for the determination of mass transport laws in tumors, acting as imaging contrast enhancers, and can be employed for the lesion-selective delivery of therapy. Their size, shape, density and surface chemistry dominate convective transport in the blood stream, margination, cell adhesion, selective cellular uptake, as well as sub-cellular trafficking and localization. As argued here, the understanding of transport differentials in cancer, termed ‘transport oncophysics’ unveils a new promising frontier in oncology: the development of lesion-specific delivery particulates that exploit mass transport differentials to deploy treatment of greater efficacy and reduced side effects. PMID:20079548

  10. NO sub x -char reactions: Kinetics and transport aspects

    SciTech Connect

    Calo, J.M.; Suuberg, E.M.

    1990-01-01

    The present project is motivated by the need to reduce NO{sub x} emissions from combustors, especially coal combustors. Reactions with carbon are known to be effective at reducing No to N{sub 2}, and remain interesting candidates in a wide variety of possible applications. These reactions are known to be important in reducing NO{sub x} emissions from fluidized bed coal combustors, in which the coal char itself serves as the reducing agent. The principal goal of this project is to develop a mechanistic understanding of the processes by which carbons reduce NO to N{sub 2}. The carbon was a char derived from phenol-formaldehyde resin. This material has been noted to be a reasonable model for coal chars in most respects, expect that its gasification behavior is not complicated by catalytic processes due to minerals. In the first phases of the project, the global kinetics of the process were established. In more recent work, attention has been turned to the individual steps in the mechanism. Recent quarterly reports have detailed the role of both chemisorption and desorption processes in determining the course and kinetics of the process. This report continues the reporting of results obtained along these lines, and draws an important new conclusion concerning the number of separate processes involved in determining the kinetics. 40 refs., 3 figs., 2 tabs.

  11. Coupling of kinetic Monte Carlo simulations of surface reactions to transport in a fluid for heterogeneous catalytic reactor modeling

    SciTech Connect

    Schaefer, C.; Jansen, A. P. J.

    2013-02-07

    We have developed a method to couple kinetic Monte Carlo simulations of surface reactions at a molecular scale to transport equations at a macroscopic scale. This method is applicable to steady state reactors. We use a finite difference upwinding scheme and a gap-tooth scheme to efficiently use a limited amount of kinetic Monte Carlo simulations. In general the stochastic kinetic Monte Carlo results do not obey mass conservation so that unphysical accumulation of mass could occur in the reactor. We have developed a method to perform mass balance corrections that is based on a stoichiometry matrix and a least-squares problem that is reduced to a non-singular set of linear equations that is applicable to any surface catalyzed reaction. The implementation of these methods is validated by comparing numerical results of a reactor simulation with a unimolecular reaction to an analytical solution. Furthermore, the method is applied to two reaction mechanisms. The first is the ZGB model for CO oxidation in which inevitable poisoning of the catalyst limits the performance of the reactor. The second is a model for the oxidation of NO on a Pt(111) surface, which becomes active due to lateral interaction at high coverages of oxygen. This reaction model is based on ab initio density functional theory calculations from literature.

  12. Coupling of kinetic Monte Carlo simulations of surface reactions to transport in a fluid for heterogeneous catalytic reactor modeling

    NASA Astrophysics Data System (ADS)

    Schaefer, C.; Jansen, A. P. J.

    2013-02-01

    We have developed a method to couple kinetic Monte Carlo simulations of surface reactions at a molecular scale to transport equations at a macroscopic scale. This method is applicable to steady state reactors. We use a finite difference upwinding scheme and a gap-tooth scheme to efficiently use a limited amount of kinetic Monte Carlo simulations. In general the stochastic kinetic Monte Carlo results do not obey mass conservation so that unphysical accumulation of mass could occur in the reactor. We have developed a method to perform mass balance corrections that is based on a stoichiometry matrix and a least-squares problem that is reduced to a non-singular set of linear equations that is applicable to any surface catalyzed reaction. The implementation of these methods is validated by comparing numerical results of a reactor simulation with a unimolecular reaction to an analytical solution. Furthermore, the method is applied to two reaction mechanisms. The first is the ZGB model for CO oxidation in which inevitable poisoning of the catalyst limits the performance of the reactor. The second is a model for the oxidation of NO on a Pt(111) surface, which becomes active due to lateral interaction at high coverages of oxygen. This reaction model is based on ab initio density functional theory calculations from literature.

  13. Investigating Mass Transport Limitations on Xylan Hydrolysis During Dilute Acid Pretreatment of Poplar

    SciTech Connect

    Mittal, Ashutosh; Pilath, Heid M.; Parent, Yves; Chatterjee, Siddharth G.; Donohoe, Bryon S.; Yarbrough, John M.; Himmel, Michael E.; Nimlos, Mark R.; Johnson, David K.

    2014-04-28

    Mass transport limitations could be an impediment to achieving high sugar yields during biomass pretreatment and thus be a critical factor in the economics of biofuels production. The objective of this work was to study the mass transfer restrictions imposed by the structure of biomass on the hydrolysis of xylan during dilute acid pretreatment of biomass. Mass transfer effects were studied by pretreating poplar wood at particle sizes ranging from 10 micrometers to 10 mm. This work showed a significant reduction in the rate of xylan hydrolysis in poplar when compared to the intrinsic rate of hydrolysis for isolated xylan that is possible in the absence of mass transfer. In poplar samples we observed no significant difference in the rates of xylan hydrolysis over more than two orders of magnitude in particle size. It appears that no additional mass transport restrictions are introduced by increasing particle size from 10 micrometers to 10 mm. This work suggests that the rates of xylan hydrolysis in biomass particles are limited primarily by the diffusion of hydrolysis products out of plant cell walls. A mathematical description is presented to describe the kinetics of xylan hydrolysis that includes transport of the hydrolysis products through biomass into the bulk solution. The modeling results show that the effective diffusion coefficient of the hydrolysis products in the cell wall is several orders of magnitude smaller than typical values in other applications signifying the role of plant cell walls in offering resistance to diffusion of the hydrolysis products.

  14. A finite element method for transient analysis of concurrent large deformation and mass transport in gels

    NASA Astrophysics Data System (ADS)

    Zhang, Jiaping; Zhao, Xuanhe; Suo, Zhigang; Jiang, Hanqing

    2009-05-01

    A gel is an aggregate of polymers and solvent molecules. The polymers crosslink into a three-dimensional network by strong chemical bonds and enable the gel to retain its shape after a large deformation. The solvent molecules, however, interact among themselves and with the network by weak physical bonds and enable the gel to be a conduit of mass transport. The time-dependent concurrent process of large deformation and mass transport is studied by developing a finite element method. We combine the kinematics of large deformation, the conservation of the solvent molecules, the conditions of local equilibrium, and the kinetics of migration to evolve simultaneously two fields: the displacement of the network and the chemical potential of the solvent. The finite element method is demonstrated by analyzing several phenomena, such as swelling, draining and buckling. This work builds a platform to study diverse phenomena in gels with spatial and temporal complexity.

  15. Mass transport in an anatomically realistic human right coronary artery.

    PubMed

    Kaazempur-Mofrad, M R; Ethier, C R

    2001-02-01

    The coronary arteries are a common site of atherosclerotic plaque formation, which has been putatively linked to hemodynamic and mass transport patterns. The purpose of this paper was to study mass transport patterns in a human right coronary artery (RCA) model, focusing on the effects of local geometric features on mass transfer from blood to artery walls. Using a previously developed characteristic/finite element scheme for solving advection-dominated transport problems, mass transfer calculations were performed in a rigid, anatomically realistic model of a human RCA. A qualitative and quantitative examination of the RCA geometry was also carried out. The concentration field within the RCA was seen to closely follow primary and secondary flow features. Local variations in mass transfer patterns due to geometric features were significant and much larger in magnitude than local variations in wall shear stress. We conclude that the complex secondary flows in a realistic arterial model can produce very substantial local variations in blood-wall mass transfer rates, and may be important in atherogenesis. Further, RCA mass transfer patterns are more sensitive to local geometric features than are wall shear stress patterns. PMID:11284666

  16. Kinetics of vertical transport and localization of electrons in strained semiconductor supperlattices

    SciTech Connect

    Gerchikov, L. G. Mamaev, Yu. A.; Yashin, Yu. P.

    2015-08-15

    The kinetics of vertical electron transport in a semiconductor superlattice is considered taking into account partial localization of electrons. The time dependences of photoemission currents from samples based on a strained semiconductor superlattice calculated by numerically solving the kinetic equation are in good agreement with experimental data. Comparison of the theory with experiment makes it possible to determine the characteristic electron localization and thermoactivation times, the diffusion length, and losses of photoelectrons in the superlattice.

  17. Oscillatory kinetics of gene expression: Protein conversion and slow mRNA transport

    SciTech Connect

    Zhdanov, V. P.

    2009-06-15

    The negative feedback between mRNA and regulatory-protein production may result in oscillations in the kinetics of gene expression if the mRNA-protein interplay includes protein conversion. Using a mean-field kinetic model, we show that such oscillations can be amplified due to limitations of the mRNA transport between the nucleus and cytoplasm. This effect may be dramatic for the mRNA population in the nucleus.

  18. Theory of transport noise in membrane channels with open-closed kinetics.

    PubMed

    Frehland, E

    1979-03-21

    A theoretical approach to transport noise in kinetic systems, which has recently been developed, is applied to electric fluctuations around steady-states in membrane channels with different conductance states. The channel kinetics may be simple two state (open-closed) kinetics or more complicated. The membrane channel is considered as a sequence of binding sites separated by energy barriers over which the ions have to jump according to the usual single-file diffusion model. For simplicity the channels are assumed to act independently. In the special case of ionic movement fast compared with the channel open-closed kinetics the results agree with those derived from the usual Master equation approach to electric fluctuations in nerve membrane channels. For the simple model of channels with one binding site and two energy barries the coupling between the fluctuations coming from the open-closed kinetics and from the jump diffusion is investigated. PMID:427255

  19. Prediction of contaminant retention and transport in soils using kinetic multireaction models.

    PubMed Central

    Selim, H M

    1989-01-01

    Mathematical models that describe the retention reactions of contaminants in the soil system are presented. Single and multireaction-type models for simultaneous retention and transport in the soil profile are discussed. Single retention models are classified into two types: equilibrium and kinetic models. Emphasis is given to the nonlinearity and kinetic behavior of solute retention processes in soils. Two-site models that include the equilibrium-kinetic types as well as the fully kinetic type are also examined. A multireaction-type model is also presented, which includes reversible and irreversible retention processes of the equilibrium and kinetic types. Advantages of the multireaction approach over the single or two-site models are discussed. The predictive capability of the two-site model and the multireaction model for their description of experimental results for phosphorus and two heavy metals (Cd and Cr) are examined. PMID:2695326

  20. Mass transportation mechanism in electric-biased carbon nanotubes.

    PubMed

    Zhao, Jiong; Huang, Jia-Qi; Wei, Fei; Zhu, Jing

    2010-11-10

    The mass transportation mechanism in electric-biased carbon nanotubes (CNTs) is investigated experimentally. Except for the widely accepted electromigration mechanism, we find out the thermal effect can also induce the mass transportation in the form of thermomigration or thermal evaporation. Moreover, the convincing in situ transmission electron microscope experiment results show the thermal gradient force overrides the electromigration force in most conditions, according to specific parameters of the CNTs and "cargos". A full analysis on the thermal gradient force and electromigration force imposed on the cargos is given, thus our experimental results are well explained and understood.

  1. Mass and Momentum Turbulent Transport Experiments with Confined Coaxial Jets

    NASA Technical Reports Server (NTRS)

    Johnson, B. V.; Bennett, J. C.

    1981-01-01

    Downstream mixing of coaxial jets discharging in an expanded duct was studied to obtain data for the evaluation and improvement of turbulent transport models currently used in a variety of computational procedures throughout the propulsion community for combustor flow modeling. Flow visualization studies showed four major shear regions occurring; a wake region immediately downstream of the inlet jet inlet duct; a shear region further downstream between the inner and annular jets; a recirculation zone; and a reattachment zone. A combination of turbulent momentum transport rate and two velocity component data were obtained from simultaneous measurements with a two color laser velocimeter (LV) system. Axial, radial and azimuthal velocities and turbulent momentum transport rate measurements in the r-z and r-theta planes were used to determine the mean value, second central moment (or rms fluctuation from mean), skewness and kurtosis for each data set probability density function (p.d.f.). A combination of turbulent mass transport rate, concentration and velocity data were obtained system. Velocity and mass transport in all three directions as well as concentration distributions were used to obtain the mean, second central moments, skewness and kurtosis for each p.d.f. These LV/LIF measurements also exposed the existence of a large region of countergradient turbulent axial mass transport in the region where the annular jet fluid was accelerating the inner jet fluid.

  2. Experimental and theoretical study of the adsorption behavior and mass transfer kinetics of propranolol enantiomers on cellulase protein as the selector

    SciTech Connect

    Fornstedt, T.; Zhong, G.; Bensetiti, Z.; Guiochon, G. |

    1996-07-15

    The thermodynamics and mass transfer kinetics of the retention of the R and S enantiomers of propranolol were investigated on a system comprising an acetic acid buffer solution as mobile phase and the protein cellobiohydrolase I immobilized on silica as the stationary phase. The bi-Langmuir isotherm model fitted best to each set of single-component isotherm data. The monolayer capacity of the nonchiral type of adsorption sites was 22.9 mM. For the chiral type of sites, it was 0.24 mM for the R enantiomer and 0.64 nM for the S enantiomer. Peak tailing was observed, even at very low concentrations allowing operation of the low-capacity chiral sites under linear conditions. This tailing can be explained on the basis of heterogeneous mass transfer kinetics. At higher concentrations, which are often used in analytical applications, the isotherms on the chiral sites no longer have a linear behavior, and peak tailing is consequently more pronounced. Under those conditions, peak tailing originates from the combined effect of heterogeneous thermodynamics and heterogeneous mass transfer kinetics. These complex phenomena are explained and modeled using the transport-dispersive model with a solid film linear driving force model modified to account for heterogeneous mass transfer kinetics. The rate coefficient of the mass transfer kinetics was found to be concentration dependent. 36 refs., 5 figs., 1 tab.

  3. Kinetic phenomena in charged particle transport in gases and plasmas

    SciTech Connect

    Petrovic, Zoran Lj.; Dujko, Sasa; Sasic, Olivera; Stojanovic, Vladimir; Malovic, Gordana

    2012-05-25

    The key difference between equilibrium (thermal) and non-equilibrium (low temperature - a.k.a. cold) plasmas is in the degree in which the shape of the cross sections influences the electron energy distribution function (EEDF). In this paper we will discuss the issue of kinetic phenomena from two different angles. The first will be how to take advantage of the strong influence and use low current data to obtain the cross sections. This is also known as the swarm technique and the product of a ''swarm analysis'' is a set of cross sections giving good number, momentum and energy balances of electrons or other charged particles. At the same time understanding the EEDF is based on the cross section data. Nevertheless sometimes the knowledge of the cross sections and even the behaviour of individual particles are insufficient to explain collective behaviour of the ensemble. The resulting ''kinetic'' effects may be used to favour certain properties of non-equilibrium plasmas and even may be used as the basis of some new plasma applications.

  4. Kinetic ballooning modes at the tokamak transport barrier with negative magnetic shear

    SciTech Connect

    Yamagiwa, M.; Hirose, A.; Elia, M.

    1997-11-01

    Stability of the kinetic ballooning modes is investigated for plasma parameters at the internal transport barrier in tokamak discharges with negative magnetic shear employing a kinetic shooting code with long shooting distance. It is found that the second stability regime with respect to the pressure gradient parameter, which was predicted for negative shear [A. Hirose and M. Elia, Phys. Rev. Lett. {bold 76}, 628 (1996)], can possibly disappear. The mode with comparatively low toroidal mode number and mode frequency below 100 kHz is found to be destabilized marginally only around the transport barrier characterized by steep pressure and density gradients. {copyright} {ital 1997 American Institute of Physics.}

  5. Impact of anomalous transport kinetics on the progress of wound healing.

    PubMed

    Javierre, E

    2016-09-01

    This work focuses on the transport kinetics of chemical and cellular species during wound healing. Anomalous transport kinetics, coupling sub- and superdiffusion with chemotaxis, and fractional viscoelasticity of soft tissues are analyzed from a modeling point of view. The paper presents a generalization of well stablished mechano-chemical models of wound contraction (Murphy et al., 2012; Valero et al., 2014) to include the previously mentioned anomalous effects by means of partial differential equations of fractional order. Results show the effect that anomalous dynamics have on the contraction rate and extension and on the distribution of biological species, and indicators of fibroproliferative disorders are identified. PMID:27461569

  6. Electrochemical kinetic and mass transfer model for direct ethanol alkaline fuel cell (DEAFC)

    NASA Astrophysics Data System (ADS)

    Abdullah, S.; Kamarudin, S. K.; Hasran, U. A.; Masdar, M. S.; Daud, W. R. W.

    2016-07-01

    A mathematical model is developed for a liquid-feed DEAFC incorporating an alkaline anion-exchange membrane. The one-dimensional mass transport of chemical species is modelled using isothermal, single-phase and steady-state assumptions. The anode and cathode electrochemical reactions use the Tafel kinetics approach, with two limiting cases, for the reaction order. The model fully accounts for the mixed potential effects of ethanol oxidation at the cathode due to ethanol crossover via an alkaline anion-exchange membrane. In contrast to a polymer electrolyte membrane model, the current model considers the flux of ethanol at the membrane as the difference between diffusive and electroosmotic effects. The model is used to investigate the effects of the ethanol and alkali inlet feed concentrations at the anode. The model predicts that the cell performance is almost identical for different ethanol concentrations at a low current density. Moreover, the model results show that feeding the DEAFC with 5 M NaOH and 3 M ethanol at specific operating conditions yields a better performance at a higher current density. Furthermore, the model indicates that crossover effects on the DEAFC performance are significant. The cell performance decrease from its theoretical value when a parasitic current is enabled in the model.

  7. Specific features of defect and mass transport in concentrated fcc alloys

    DOE PAGESBeta

    Osetsky, Yuri N.; Béland, Laurent K.; Stoller, Roger E.

    2016-06-15

    We report that diffusion and mass transport are basic properties that control materials performance, such as phase stability, solute decomposition and radiation tolerance. While understanding diffusion in dilute alloys is a mature field, concentrated alloys are much less studied. Here, atomic-scale diffusion and mass transport via vacancies and interstitial atoms are compared in fcc Ni, Fe and equiatomic Ni-Fe alloy. High temperature properties were determined using conventional molecular dynamics on the microsecond timescale, whereas the kinetic activation-relaxation (k-ART) approach was applied at low temperatures. The k-ART was also used to calculate transition states in the alloy and defect transport coefficients.more » The calculations reveal several specific features. For example, vacancy and interstitial defects migrate via different alloy components, diffusion is more sluggish in the alloy and, notably, mass transport in the concentrated alloy cannot be predicted on the basis of diffusion in its pure metal counterparts. Lastly, the percolation threshold for the defect diffusion in the alloy is discussed and it is suggested that this phenomenon depends on the properties and diffusion mechanisms of specific defects.« less

  8. Air Mass Origin as a Diagnostic of Seasonally-Varying Transport into the Arctic

    NASA Astrophysics Data System (ADS)

    Orbe, C.; Waugh, D. W.; Holzer, M. B.; Newman, P. A.; Polvani, L. M.; Oman, L.; Li, F.

    2013-12-01

    While the signatures of the seasonal cycle on basic state variables such as temperature, winds and on chemical composition have been explored in depth, its signature on air mass composition has received relatively little attention. To this end, we present the first analysis of the seasonally varying transport from the northern hemisphere (NH) midlatitudes into the Arctic using rigorously defined air masses. The fractional contribution from each air mass partitions Arctic air according to where it was last in the planetary boundary layer (PBL) at midlatitudes over the Pacific and Atlantic oceans, North America, Europe, and Asia. Air mass fractions are computed using the coupled climate-chemistry model GEOSCCM subject to fixed present-day climate forcings. We find that during DJF 48% of the air in the free troposphere poleward of 60N was last at midlatitudes primarily at the Pacific and Atlantic oceans, at 20% and 10% respectively. During JJA, however, the largest contributions to Arctic air come from Asian and North American source regions, revealing that transport from the industrialized midlatitude regions dominates during boreal summer. Preliminary calculations of future air masses for a model integration subject to A1B greenhouse gases also reveal the model's climate change response in arctic air mass composition. In concert with weakened tropospheric eddy kinetic energy and a weakened Hadley cell, we find that changes in annual mean arctic air mass fractions are of the order 10%, with increased contributions from air that was last in contact with the PBL over North America and over the Atlantic and Pacific oceans. Air-mass fractions, and their changes, thus help to isolate the role of transport to changes in composition, which are not only driven by changes in chemistry and emissions but also crucially by changes in atmospheric flow.

  9. Kinetic Theory in Hot Plasmas and Neutral Gases Applications to the Computation of the transport coefficients

    SciTech Connect

    Bendib, A.

    2008-09-23

    The conference is devoted to the study of systems consisting of a large number of particles by using the kinetic theory. In a first part, we present a general overview of the kinetic theory. In particular, the role of the correlations between particles is shown and discussed through the main models reported in the literature. In a second part, we present three applications to the transport properties in plasmas and neutral gases. The first application is devoted to the transport in hot plasmas perturbed with respect to the global equilibrium. The quasi-static and collisionless distribution function and transport coefficients are established. The influence of relativistic effects is also discussed. The second application deals with strongly inhomogeneous magnetized plasmas. The transport coefficients of Braginskii are calculated numerically in the local and the weakly nonlocal approximations. New nonlocal transport coefficients are emphasized. Finally, we apply the kinetic theory to the neutral gases by calculating the semi-collisional dispersion relation of acoustic waves. In particular, the dispersion and the damping of these waves in rarefied gases are highlighted. The method used to solve the kinetic equations is compared with the conventional method of Chapman-Enskog.

  10. Contractivity of Transport Distances for the Kinetic Kuramoto Equation

    NASA Astrophysics Data System (ADS)

    Carrillo, José A.; Choi, Young-Pil; Ha, Seung-Yeal; Kang, Moon-Jin; Kim, Yongduck

    2014-07-01

    We present synchronization and contractivity estimates for the kinetic Kuramoto model obtained from the Kuramoto phase model in the mean-field limit. For identical Kuramoto oscillators, we present an admissible class of initial data leading to time-asymptotic complete synchronization, that is, all measure valued solutions converge to the traveling Dirac measure concentrated on the initial averaged phase. In the case of non-identical oscillators, we show that the velocity field converges to the average natural frequency proving that the oscillators move asymptotically with the same frequency under suitable assumptions on the initial configuration. If two initial Radon measures have the same natural frequency density function and strength of coupling, we show that the Wasserstein -distance between corresponding measure valued solutions is exponentially decreasing in time. This contraction principle is more general than previous -contraction properties of the Kuramoto phase model.

  11. Mass transport mechanism in porous fuel cell electrodes

    NASA Technical Reports Server (NTRS)

    Jonsson, I.; Lindholm, I.

    1969-01-01

    Results of experiments on hydrogen-oxygen fuel cells show that higher current densities are obtained with cell anodes having a 100 micron thin active layer of porous nickel containing silver electrocatalyst. Increase in current density is attributed to a convective mass transport mechanism.

  12. Mass Transport Through Carbon Nanotube-Polystyrene Bundles

    NASA Astrophysics Data System (ADS)

    Lin, Rongzhou; Tran, Tuan

    2016-05-01

    Carbon nanotubes have been widely used as test channels to study nanofluidic transport, which has been found to have distinctive properties compared to transport of fluids in macroscopic channels. A long-standing challenge in the study of mass transport through carbon nanotubes (CNTs) is the determination of flow enhancement. Various experimental investigations have been conducted to measure the flow rate through CNTs, mainly based on either vertically aligned CNT membranes or individual CNTs. Here, we proposed an alternative approach that can be used to quantify the mass transport through CNTs. This is a simple method relying on the use of carbon nanotube-polystyrene bundles, which are made of CNTs pulled out from a vertically aligned CNT array and glued together by polystyrene. We experimentally showed by using fluorescent tagging that the composite bundles allowed measureable and selective mass transport through CNTs. This type of composite bundle may be useful in various CNT research areas as they are simple to fabricate, less likely to form macroscopic cracks, and offer a high density of CNT pores while maintaining the aligned morphology of CNTs.

  13. Comparisons of anomalous and collisional radial transport with a continuum kinetic edge code

    NASA Astrophysics Data System (ADS)

    Bodi, K.; Krasheninnikov, S.; Cohen, R.; Rognlien, T.

    2009-05-01

    Modeling of anomalous (turbulence-driven) radial transport in controlled-fusion plasmas is necessary for long-time transport simulations. Here the focus is continuum kinetic edge codes such as the (2-D, 2-V) transport version of TEMPEST, NEO, and the code being developed by the Edge Simulation Laboratory, but the model also has wider application. Our previously developed anomalous diagonal transport matrix model with velocity-dependent convection and diffusion coefficients allows contact with typical fluid transport models (e.g., UEDGE). Results are presented that combine the anomalous transport model and collisional transport owing to ion drift orbits utilizing a Krook collision operator that conserves density and energy. Comparison is made of the relative magnitudes and possible synergistic effects of the two processes for typical tokamak device parameters.

  14. Optimal Mass Transport for Shape Matching and Comparison

    PubMed Central

    Su, Zhengyu; Wang, Yalin; Shi, Rui; Zeng, Wei; Sun, Jian; Luo, Feng; Gu, Xianfeng

    2015-01-01

    Surface based 3D shape analysis plays a fundamental role in computer vision and medical imaging. This work proposes to use optimal mass transport map for shape matching and comparison, focusing on two important applications including surface registration and shape space. The computation of the optimal mass transport map is based on Monge-Brenier theory, in comparison to the conventional method based on Monge-Kantorovich theory, this method significantly improves the efficiency by reducing computational complexity from O(n2) to O(n). For surface registration problem, one commonly used approach is to use conformal map to convert the shapes into some canonical space. Although conformal mappings have small angle distortions, they may introduce large area distortions which are likely to cause numerical instability thus resulting failures of shape analysis. This work proposes to compose the conformal map with the optimal mass transport map to get the unique area-preserving map, which is intrinsic to the Riemannian metric, unique, and diffeomorphic. For shape space study, this work introduces a novel Riemannian framework, Conformal Wasserstein Shape Space, by combing conformal geometry and optimal mass transport theory. In our work, all metric surfaces with the disk topology are mapped to the unit planar disk by a conformal mapping, which pushes the area element on the surface to a probability measure on the disk. The optimal mass transport provides a map from the shape space of all topological disks with metrics to the Wasserstein space of the disk and the pullback Wasserstein metric equips the shape space with a Riemannian metric. We validate our work by numerous experiments and comparisons with prior approaches and the experimental results demonstrate the efficiency and efficacy of our proposed approach. PMID:26440265

  15. Kinetic modeling of antimony(V) adsorption-desorption and transport in soils.

    PubMed

    Zhang, Hua; Li, Lulu; Zhou, Shiwei

    2014-09-01

    Antimonate [Sb(V)] adsorption-desorption and transport in an acidic red soil (Yingtan) and a calcareous soil (Huanjiang) was investigated using kinetic batch and miscible displacement experiments. Different formulations of a multi-reaction model (MRM) were evaluated for their capabilities of describing the retention and transport mechanisms of Sb(V) in soils. The experimental results showed that adsorption of Sb(V) by two soils was kinetically controlled and largely irreversible. The Sb(V) adsorption capacity and kinetic rate of the acidic red soil was much higher than that of the calcareous soil. The asymmetrical breakthrough curves indicated the strong dominance of non-equilibrium retention of Sb(V). A four step sequential extraction procedure provided evidence that majority of applied Sb(V) was irreversibly retained. A formulation of MRM with two kinetic sorption sites (reversible and irreversible) successfully described Sb(V) adsorption-desorption data. The use of kinetic batch rate coefficients for predictions of breakthrough curves (BTCs) underestimated Sb(V) retention and overestimated its mobility. In an inverse mode with optimized rate coefficients, the MRM formulation was capable of simulating Sb(V) transport in soil columns.

  16. 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.

  17. Particle transport and deposition: basic physics of particle kinetics

    PubMed Central

    Tsuda, Akira; Henry, Frank S.; Butler, James P.

    2015-01-01

    The human body interacts with the environment in many different ways. The lungs interact with the external environment through breathing. The enormously large surface area of the lung with its extremely thin air-blood barrier is exposed to particles suspended in the inhaled air. Whereas the particle-lung interaction may cause deleterious effects on health if the inhaled pollutant aerosols are toxic, this interaction can be beneficial for disease treatment if the inhaled particles are therapeutic aerosolized drug. In either case, an accurate estimation of dose and sites of deposition in the respiratory tract is fundamental to understanding subsequent biological response, and the basic physics of particle motion and engineering knowledge needed to understand these subjects is the topic of this chapter. A large portion of this chapter deals with three fundamental areas necessary to the understanding of particle transport and deposition in the respiratory tract. These are: 1) the physical characteristics of particles, 2) particle behavior in gas flow, and 3) gas flow patterns in the respiratory tract. Other areas, such as particle transport in the developing lung and in the diseased lung are also considered. The chapter concludes with a summary and a brief discussion of areas of future research. PMID:24265235

  18. Particle transport and deposition: basic physics of particle kinetics.

    PubMed

    Tsuda, Akira; Henry, Frank S; Butler, James P

    2013-10-01

    The human body interacts with the environment in many different ways. The lungs interact with the external environment through breathing. The enormously large surface area of the lung with its extremely thin air-blood barrier is exposed to particles suspended in the inhaled air. The particle-lung interaction may cause deleterious effects on health if the inhaled pollutant aerosols are toxic. Conversely, this interaction can be beneficial for disease treatment if the inhaled particles are therapeutic aerosolized drugs. In either case, an accurate estimation of dose and sites of deposition in the respiratory tract is fundamental to understanding subsequent biological response, and the basic physics of particle motion and engineering knowledge needed to understand these subjects is the topic of this article. A large portion of this article deals with three fundamental areas necessary to the understanding of particle transport and deposition in the respiratory tract. These are: (i) the physical characteristics of particles, (ii) particle behavior in gas flow, and (iii) gas-flow patterns in the respiratory tract. Other areas, such as particle transport in the developing lung and in the diseased lung are also considered. The article concludes with a summary and a brief discussion of areas of future research.

  19. Coupled effects of temperature and mass transport on the isotope fractionation of zinc during electroplating

    NASA Astrophysics Data System (ADS)

    Black, Jay R.; John, Seth G.; Kavner, Abby

    2014-01-01

    The isotopic composition of zinc metal electrodeposited on a rotating disc electrode from a Zn-citrate aqueous solution was investigated as a function of overpotential (electrochemical driving force), temperature, and rotation rate. Zn metal was measured to be isotopically light with respect to Zn+2 in solution, with observed fractionations varying from Δ66/64Znmetal-aqueous = -1.0‰ to -3.9‰. Fractionation varies continuously as a function of a dimensionless parameter described by the ratio of observed deposition rate to calculated mass-transport limiting rate, where larger fractionations are observed at lower deposition rates, lower temperature, and at faster electrode rotation rates. Thus, the large fractionation and its rate dependence is interpreted as a competition between the two kinetic processes with different effective activation energies: mass-transport-limited (diffusion limited) kinetics with a large activation energy, which creates small fractionations close to the predicted diffusive fractionation; and electrochemical deposition kinetics, with a smaller effective activation energy, which creates large fractionations at low deposition rates and high hydrodynamic fluxes of solute to the electrode. The results provide a framework for predicting isotope fractionation in processes controlled by two competing reactions with different kinetic isotope effects. Light isotopes are electroplated. In all cases light stable isotopes of the metals are preferentially electroplated, with mass-dependent behavior evident where three or more isotopes are measured. Fractionation is time-independent, meaning that the fractionation factor does not vary with the extent of reaction. In most of our experiments, we have controlled the extent of reaction such that only a small amount of metal is deposited from the stock solution, thus avoiding significant evolution of the reservoir composition. In such experiments, the observed isotope fractionation is constant as a

  20. Summary of the LLNL one-dimensional transport-kinetics model of the troposphere and stratosphere: 1981

    SciTech Connect

    Wuebbles, D.J.

    1981-09-01

    Since the LLNL one-dimensional coupled transport and chemical kinetics model of the troposphere and stratosphere was originally developed in 1972 (Chang et al., 1974), there have been many changes to the model's representation of atmospheric physical and chemical processes. A brief description is given of the current LLNL one-dimensional coupled transport and chemical kinetics model of the troposphere and stratosphere.

  1. Collisional effects on kinetic electromagnetic modes and associated quasilinear transport

    SciTech Connect

    Rewoldt, G.; Tang, W.M.; Hastie, R.J.

    1986-08-01

    The general procedure for the analysis of low-frequency electrostatic and electro-magnetic modes in toroidal geometry is now well known. In the collisionless limit, the relevant dynamics (e.g., trapped particles, resonances, etc.) can be treated appropriately. However, with the introduction of collisional effects, it is customary, for tractability, to employ model collision operators of varying degrees of complexity. Guided by results of earlier studies of alternative collision operators in unsheared slab geometry and in toroidal geometry, an improved model collision operator is introduced here for calculating toroidal eigenmodes. Analytic and numerical results are presented to support its relevance and to demonstrate its improvement over earlier models. The associated quasilinear particle and energy transport coefficients for each species are also calculated, and compared with the usual D/sub j/ approx. = kappa/sub j/ approx. = ..gamma../k /sub perpendicular//sup 2/ estimate.

  2. The role of mass transport in protein crystallization.

    PubMed

    García-Ruiz, Juan Manuel; Otálora, Fermín; García-Caballero, Alfonso

    2016-02-01

    Mass transport takes place within the mesoscopic to macroscopic scale range and plays a key role in crystal growth that may affect the result of the crystallization experiment. The influence of mass transport is different depending on the crystallization technique employed, essentially because each technique reaches supersaturation in its own unique way. In the case of batch experiments, there are some complex phenomena that take place at the interface between solutions upon mixing. These transport instabilities may drastically affect the reproducibility of crystallization experiments, and different outcomes may be obtained depending on whether or not the drop is homogenized. In diffusion experiments with aqueous solutions, evaporation leads to fascinating transport phenomena. When a drop starts to evaporate, there is an increase in concentration near the interface between the drop and the air until a nucleation event eventually takes place. Upon growth, the weight of the floating crystal overcomes the surface tension and the crystal falls to the bottom of the drop. The very growth of the crystal then triggers convective flow and inhomogeneities in supersaturation values in the drop owing to buoyancy of the lighter concentration-depleted solution surrounding the crystal. Finally, the counter-diffusion technique works if, and only if, diffusive mass transport is assured. The technique relies on the propagation of a supersaturation wave that moves across the elongated protein chamber and is the result of the coupling of reaction (crystallization) and diffusion. The goal of this review is to convince protein crystal growers that in spite of the small volume of the typical protein crystallization setup, transport plays a key role in the crystal quality, size and phase in both screening and optimization experiments.

  3. The role of mass transport in protein crystallization.

    PubMed

    García-Ruiz, Juan Manuel; Otálora, Fermín; García-Caballero, Alfonso

    2016-02-01

    Mass transport takes place within the mesoscopic to macroscopic scale range and plays a key role in crystal growth that may affect the result of the crystallization experiment. The influence of mass transport is different depending on the crystallization technique employed, essentially because each technique reaches supersaturation in its own unique way. In the case of batch experiments, there are some complex phenomena that take place at the interface between solutions upon mixing. These transport instabilities may drastically affect the reproducibility of crystallization experiments, and different outcomes may be obtained depending on whether or not the drop is homogenized. In diffusion experiments with aqueous solutions, evaporation leads to fascinating transport phenomena. When a drop starts to evaporate, there is an increase in concentration near the interface between the drop and the air until a nucleation event eventually takes place. Upon growth, the weight of the floating crystal overcomes the surface tension and the crystal falls to the bottom of the drop. The very growth of the crystal then triggers convective flow and inhomogeneities in supersaturation values in the drop owing to buoyancy of the lighter concentration-depleted solution surrounding the crystal. Finally, the counter-diffusion technique works if, and only if, diffusive mass transport is assured. The technique relies on the propagation of a supersaturation wave that moves across the elongated protein chamber and is the result of the coupling of reaction (crystallization) and diffusion. The goal of this review is to convince protein crystal growers that in spite of the small volume of the typical protein crystallization setup, transport plays a key role in the crystal quality, size and phase in both screening and optimization experiments. PMID:26841759

  4. Optimum periodicity of repeated contractile actions applied in mass transport

    NASA Astrophysics Data System (ADS)

    Ahn, Sungsook; Lee, Sang Joon

    2015-01-01

    Dynamically repeated periodic patterns are abundant in natural and artificial systems, such as tides, heart beats, stock prices, and the like. The characteristic repeatability and periodicity are expected to be optimized in effective system-specific functions. In this study, such optimum periodicity is experimentally evaluated in terms of effective mass transport using one-valve and multi-valve systems working in contractile fluid flows. A set of nanoscale gating functions is utilized, operating in nanocomposite networks through which permeates selectively pass under characteristic contractile actions. Optimized contractile periodicity exists for effective energy impartment to flow in a one-valve system. In the sequential contractile actions for a multi-valve system, synchronization with the fluid flow is critical for effective mass transport. This study provides fundamental understanding on the various repeated periodic patterns and dynamic repeatability occurring in nature and mechanical systems, which are useful for broad applications.

  5. Optimum periodicity of repeated contractile actions applied in mass transport

    PubMed Central

    Ahn, Sungsook; Lee, Sang Joon

    2015-01-01

    Dynamically repeated periodic patterns are abundant in natural and artificial systems, such as tides, heart beats, stock prices, and the like. The characteristic repeatability and periodicity are expected to be optimized in effective system-specific functions. In this study, such optimum periodicity is experimentally evaluated in terms of effective mass transport using one-valve and multi-valve systems working in contractile fluid flows. A set of nanoscale gating functions is utilized, operating in nanocomposite networks through which permeates selectively pass under characteristic contractile actions. Optimized contractile periodicity exists for effective energy impartment to flow in a one-valve system. In the sequential contractile actions for a multi-valve system, synchronization with the fluid flow is critical for effective mass transport. This study provides fundamental understanding on the various repeated periodic patterns and dynamic repeatability occurring in nature and mechanical systems, which are useful for broad applications. PMID:25622949

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

    SciTech Connect

    Do, D.D.; Wang, K.

    1998-01-01

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

  7. Mass transport in bedded salt and salt interbeds

    SciTech Connect

    Hwang, Y.; Pigford, T.H.; Chambre, P.L.; Lee, W.W.L.

    1989-08-01

    Salt is the proposed host rock for geologic repositories of nuclear waste in several nations because it is nearly dry and probably impermeable. Although experiments and experience at potential salt sites indicate that salt may contain brine, the low porosity, creep, and permeability of salt make it still a good choice for geologic isolation. In this paper we summarize several mass-transfer and transport analyses of salt repositories. The mathematical details are given in our technical reports.

  8. Miocene mass-transport sediments, Troodos Massif, Cyprus

    USGS Publications Warehouse

    Lord, A.R.; Harrison, R.W.; BouDagher-Fadel, M.; Stone, B.D.; Varol, O.

    2009-01-01

    Sediment mass-transport layers of submarine origin on the northern and southern flanks of the Troodos ophiolitic massif are dated biostratigraphically as early Miocene and late Miocene, respectively and therefore represent different seismogenic events in the uplift and erosional history of the Troodos terrane. Analysis of such events has potential for documenting Miocene seismic and uplift events regionally in the context of changing stress field directions and plate vectors through time. ?? 2009 The Geologists' Association.

  9. Membranes for nanometer-scale mass fast transport

    DOEpatents

    Bakajin, Olgica; Holt, Jason; Noy, Aleksandr; Park, Hyung Gyu

    2011-10-18

    Nanoporous membranes comprising single walled, double walled, and multiwalled carbon nanotubes embedded in a matrix material were fabricated for fluid mechanics and mass transfer studies on the nanometer scale and commercial applications. Average pore size can be 2 nm to 20 nm, or seven nm or less, or two nanometers or less. The membrane can be free of large voids spanning the membrane such that transport of material such as gas or liquid occurs exclusively through the tubes. Fast fluid, vapor, and liquid transport are observed. Versatile micromachining methods can be used for membrane fabrication. A single chip can comprise multiple membranes. These membranes are a robust platform for the study of confined molecular transport, with applications in liquid and gas separations and chemical sensing including desalination, dialysis, and fabric formation.

  10. Vortical ciliary flows actively enhance mass transport in reef corals.

    PubMed

    Shapiro, Orr H; Fernandez, Vicente I; Garren, Melissa; Guasto, Jeffrey S; Debaillon-Vesque, François P; Kramarsky-Winter, Esti; Vardi, Assaf; Stocker, Roman

    2014-09-16

    The exchange of nutrients and dissolved gasses between corals and their environment is a critical determinant of the growth of coral colonies and the productivity of coral reefs. To date, this exchange has been assumed to be limited by molecular diffusion through an unstirred boundary layer extending 1-2 mm from the coral surface, with corals relying solely on external flow to overcome this limitation. Here, we present direct microscopic evidence that, instead, corals can actively enhance mass transport through strong vortical flows driven by motile epidermal cilia covering their entire surface. Ciliary beating produces quasi-steady arrays of counterrotating vortices that vigorously stir a layer of water extending up to 2 mm from the coral surface. We show that, under low ambient flow velocities, these vortices, rather than molecular diffusion, control the exchange of nutrients and oxygen between the coral and its environment, enhancing mass transfer rates by up to 400%. This ability of corals to stir their boundary layer changes the way that we perceive the microenvironment of coral surfaces, revealing an active mechanism complementing the passive enhancement of transport by ambient flow. These findings extend our understanding of mass transport processes in reef corals and may shed new light on the evolutionary success of corals and coral reefs.

  11. Vortical ciliary flows actively enhance mass transport in reef corals

    PubMed Central

    Shapiro, Orr H.; Fernandez, Vicente I.; Garren, Melissa; Guasto, Jeffrey S.; Debaillon-Vesque, François P.; Kramarsky-Winter, Esti; Vardi, Assaf; Stocker, Roman

    2014-01-01

    The exchange of nutrients and dissolved gasses between corals and their environment is a critical determinant of the growth of coral colonies and the productivity of coral reefs. To date, this exchange has been assumed to be limited by molecular diffusion through an unstirred boundary layer extending 1–2 mm from the coral surface, with corals relying solely on external flow to overcome this limitation. Here, we present direct microscopic evidence that, instead, corals can actively enhance mass transport through strong vortical flows driven by motile epidermal cilia covering their entire surface. Ciliary beating produces quasi-steady arrays of counterrotating vortices that vigorously stir a layer of water extending up to 2 mm from the coral surface. We show that, under low ambient flow velocities, these vortices, rather than molecular diffusion, control the exchange of nutrients and oxygen between the coral and its environment, enhancing mass transfer rates by up to 400%. This ability of corals to stir their boundary layer changes the way that we perceive the microenvironment of coral surfaces, revealing an active mechanism complementing the passive enhancement of transport by ambient flow. These findings extend our understanding of mass transport processes in reef corals and may shed new light on the evolutionary success of corals and coral reefs. PMID:25192936

  12. RWPV bioreactor mass transport: earth-based and in microgravity

    NASA Technical Reports Server (NTRS)

    Begley, Cynthia M.; Kleis, Stanley J.

    2002-01-01

    Mass transport and mixing of perfused scalar quantities in the NASA Rotating Wall Perfused Vessel bioreactor are studied using numerical models of the flow field and scalar concentration field. Operating conditions typical of both microgravity and ground-based cell cultures are studied to determine the expected vessel performance for both flight and ground-based control experiments. Results are presented for the transport of oxygen with cell densities and consumption rates typical of colon cancer cells cultured in the RWPV. The transport and mixing characteristics are first investigated with a step change in the perfusion inlet concentration by computing the time histories of the time to exceed 10% inlet concentration. The effects of a uniform cell utilization rate are then investigated with time histories of the outlet concentration, volume average concentration, and volume fraction starved. It is found that the operating conditions used in microgravity produce results that are quite different then those for ground-based conditions. Mixing times for microgravity conditions are significantly shorter than those for ground-based operation. Increasing the differential rotation rates (microgravity) increases the mixing and transport, while increasing the mean rotation rate (ground-based) suppresses both. Increasing perfusion rates enhances mass transport for both microgravity and ground-based cases, however, for the present range of operating conditions, above 5-10 cc/min there are diminishing returns as much of the inlet fluid is transported directly to the perfusion exit. The results show that exit concentration is not a good indicator of the concentration distributions in the vessel. In microgravity conditions, the NASA RWPV bioreactor with the viscous pump has been shown to provide an environment that is well mixed. Even when operated near the theoretical minimum perfusion rates, only a small fraction of the volume provides less than the required oxygen levels

  13. RWPV bioreactor mass transport: earth-based and in microgravity.

    PubMed

    Begley, Cynthia M; Kleis, Stanley J

    2002-11-20

    Mass transport and mixing of perfused scalar quantities in the NASA Rotating Wall Perfused Vessel bioreactor are studied using numerical models of the flow field and scalar concentration field. Operating conditions typical of both microgravity and ground-based cell cultures are studied to determine the expected vessel performance for both flight and ground-based control experiments. Results are presented for the transport of oxygen with cell densities and consumption rates typical of colon cancer cells cultured in the RWPV. The transport and mixing characteristics are first investigated with a step change in the perfusion inlet concentration by computing the time histories of the time to exceed 10% inlet concentration. The effects of a uniform cell utilization rate are then investigated with time histories of the outlet concentration, volume average concentration, and volume fraction starved. It is found that the operating conditions used in microgravity produce results that are quite different then those for ground-based conditions. Mixing times for microgravity conditions are significantly shorter than those for ground-based operation. Increasing the differential rotation rates (microgravity) increases the mixing and transport, while increasing the mean rotation rate (ground-based) suppresses both. Increasing perfusion rates enhances mass transport for both microgravity and ground-based cases, however, for the present range of operating conditions, above 5-10 cc/min there are diminishing returns as much of the inlet fluid is transported directly to the perfusion exit. The results show that exit concentration is not a good indicator of the concentration distributions in the vessel. In microgravity conditions, the NASA RWPV bioreactor with the viscous pump has been shown to provide an environment that is well mixed. Even when operated near the theoretical minimum perfusion rates, only a small fraction of the volume provides less than the required oxygen levels.

  14. Experimental validation of convection-diffusion discretisation scheme employed for computational modelling of biological mass transport

    PubMed Central

    2010-01-01

    Background The finite volume solver Fluent (Lebanon, NH, USA) is a computational fluid dynamics software employed to analyse biological mass-transport in the vasculature. A principal consideration for computational modelling of blood-side mass-transport is convection-diffusion discretisation scheme selection. Due to numerous discretisation schemes available when developing a mass-transport numerical model, the results obtained should either be validated against benchmark theoretical solutions or experimentally obtained results. Methods An idealised aneurysm model was selected for the experimental and computational mass-transport analysis of species concentration due to its well-defined recirculation region within the aneurysmal sac, allowing species concentration to vary slowly with time. The experimental results were obtained from fluid samples extracted from a glass aneurysm model, using the direct spectrophometric concentration measurement technique. The computational analysis was conducted using the four convection-diffusion discretisation schemes available to the Fluent user, including the First-Order Upwind, the Power Law, the Second-Order Upwind and the Quadratic Upstream Interpolation for Convective Kinetics (QUICK) schemes. The fluid has a diffusivity of 3.125 × 10-10 m2/s in water, resulting in a Peclet number of 2,560,000, indicating strongly convection-dominated flow. Results The discretisation scheme applied to the solution of the convection-diffusion equation, for blood-side mass-transport within the vasculature, has a significant influence on the resultant species concentration field. The First-Order Upwind and the Power Law schemes produce similar results. The Second-Order Upwind and QUICK schemes also correlate well but differ considerably from the concentration contour plots of the First-Order Upwind and Power Law schemes. The computational results were then compared to the experimental findings. An average error of 140% and 116% was demonstrated

  15. A global assessment of accelerations in surface mass transport

    NASA Astrophysics Data System (ADS)

    Wu, Xiaoping; Heflin, Michael B.

    2015-08-01

    Water mass transport in the Earth's dynamic surface layer of atmosphere, cryosphere, and hydrosphere driven by various global change processes has complex spatiotemporal patterns. Here we determine global patterns and regional mean values of accelerations in surface mass variations during the Gravity Recovery and Climate Experiment (GRACE) mission's data span from 2002.2 to 2015.0. GRACE gravity data are supplemented by surface deformation from 607 Global Navigation Satellite System stations, an ocean bottom pressure model, satellite laser ranging, and loose a priori knowledge on mass variation regimes incorporating high-resolution geographic boundaries. While Greenland and West Antarctica have strong negative accelerations, Alaska and the Arctic Ocean show significant positive accelerations. In addition, the accelerations are not constant in time with some regions showing considerable variability due to irregular interannual changes. No evidence of significant nonsteric mean sea level acceleration has been found, but the uncertainty is quite large.

  16. Trace metal transport by marine microorganisms: implications of metal coordination kinetics

    NASA Astrophysics Data System (ADS)

    Hudson, Robert J. M.; Morel, François M. M.

    1993-01-01

    Marine microorganisms have transport systems capable of accumulating essential trace metals present at low oceanic concentrations—1 pM to 1 nM. In marine phytoplankton, Fe, Mn, Zn and Ni transport has been shown to involve complexation by membrane carriers. By analysing the kinetics of the transport process and accounting for the inherently slow coordination reactions of some of these metals, we predict optimum properties and minimum numbers of sites for the transport systems. Limits to trace metal uptake, and thereby to growth rates, may arise from finite space for these transport sites in the membrane, competition from other metals and the rate of diffusion to the cell. These types of nutrient limitation should exhibit different size dependencies and therefore be important in determining ecosystem structure. The concentrations of inorganically complexed species of nutrient metals remaining in the surface ocean appear to be correlated with predicted rates of metal complexation by trace metal transport sites, suggesting that kinetic liability controls the bioavailability of these metals and their rate of removal from the surface ocean.

  17. The effect of water temperature and flow on respiration in barnacles: patterns of mass transfer versus kinetic limitation.

    PubMed

    Nishizaki, Michael T; Carrington, Emily

    2014-06-15

    In aquatic systems, physiological processes such as respiration, photosynthesis and calcification are potentially limited by the exchange of dissolved materials between organisms and their environment. The nature and extent of physiological limitation is, therefore, likely to be dependent on environmental conditions. Here, we assessed the metabolic sensitivity of barnacles under a range of water temperatures and velocities, two factors that influence their distribution. Respiration rates increased in response to changes in temperature and flow, with an interaction where flow had less influence on respiration at low temperatures, and a much larger effect at high temperatures. Model analysis suggested that respiration is mass transfer limited under conditions of low velocity (<7.5 cm (-1)) and high temperature (20-25°C). In contrast, limitation by uptake reaction kinetics, when the biotic capacity of barnacles to absorb and process oxygen is slower than its physical delivery by mass transport, prevailed at high flows (40-150 cm s(-1)) and low temperatures (5-15°C). Moreover, there are intermediate flow-temperature conditions where both mass transfer and kinetic limitation are important. Behavioral monitoring revealed that barnacles fully extend their cirral appendages at low flows and display abbreviated 'testing' behaviors at high flows, suggesting some form of mechanical limitation. In low flow-high temperature treatments, however, barnacles displayed distinct 'pumping' behaviors that may serve to increase ventilation. Our results suggest that in slow-moving waters, respiration may become mass transfer limited as temperatures rise, whereas faster flows may serve to ameliorate the effects of elevated temperatures. Moreover, these results underscore the necessity for approaches that evaluate the combined effects of multiple environmental factors when examining physiological and behavioral performance.

  18. Kinetic theory of transport processes in partially ionized reactive plasma, I: General transport equations

    NASA Astrophysics Data System (ADS)

    Zhdanov, V. M.; Stepanenko, A. A.

    2016-03-01

    In this paper we derive the set of general transport equations for multicomponent partially ionized reactive plasma in the presence of electric and magnetic fields taking into account the internal degrees of freedom and electronic excitation of plasma particles. Our starting point is a generalized Boltzmann equation with the collision integral in the Wang-Chang and Uhlenbeck form and a reactive collision integral. We obtain a set of conservation equations for such plasma and employ a linearized variant of Grad's moment method to derive the system of moment (or transport) equations for the plasma species nonequilibrium parameters. Full and reduced transport equations, resulting from the linearized system of moment equations, are presented, which can be used to obtain transport relations and expressions for transport coefficients of electrons and heavy plasma particles (molecules, atoms and ions) in partially ionized reactive plasma.

  19. Coupled effects of temperature and mass transport on the isotope fractionation of zinc during electroplating

    NASA Astrophysics Data System (ADS)

    Black, Jay R.; John, Seth G.; Kavner, Abby

    2014-01-01

    The isotopic composition of zinc metal electrodeposited on a rotating disc electrode from a Zn-citrate aqueous solution was investigated as a function of overpotential (electrochemical driving force), temperature, and rotation rate. Zn metal was measured to be isotopically light with respect to Zn+2 in solution, with observed fractionations varying from Δ66/64Znmetal-aqueous = -1.0‰ to -3.9‰. Fractionation varies continuously as a function of a dimensionless parameter described by the ratio of observed deposition rate to calculated mass-transport limiting rate, where larger fractionations are observed at lower deposition rates, lower temperature, and at faster electrode rotation rates. Thus, the large fractionation and its rate dependence is interpreted as a competition between the two kinetic processes with different effective activation energies: mass-transport-limited (diffusion limited) kinetics with a large activation energy, which creates small fractionations close to the predicted diffusive fractionation; and electrochemical deposition kinetics, with a smaller effective activation energy, which creates large fractionations at low deposition rates and high hydrodynamic fluxes of solute to the electrode. The results provide a framework for predicting isotope fractionation in processes controlled by two competing reactions with different kinetic isotope effects. Light isotopes are electroplated. In all cases light stable isotopes of the metals are preferentially electroplated, with mass-dependent behavior evident where three or more isotopes are measured. Fractionation is time-independent, meaning that the fractionation factor does not vary with the extent of reaction. In most of our experiments, we have controlled the extent of reaction such that only a small amount of metal is deposited from the stock solution, thus avoiding significant evolution of the reservoir composition. In such experiments, the observed isotope fractionation is constant as a

  20. Simulations of 4D edge transport and dynamics using the TEMPEST gyro-kinetic code

    NASA Astrophysics Data System (ADS)

    Rognlien, T. D.; Cohen, B. I.; Cohen, R. H.; Dorr, M. R.; Hittinger, J. A. F.; Kerbel, G. D.; Nevins, W. M.; Xiong, Z.; Xu, X. Q.

    2006-10-01

    Simulation results are presented for tokamak edge plasmas with a focus on the 4D (2r,2v) option of the TEMPEST continuum gyro-kinetic code. A detailed description of a variety of kinetic simulations is reported, including neoclassical radial transport from Coulomb collisions, electric field generation, dynamic response to perturbations by geodesic acoustic modes, and parallel transport on open magnetic-field lines. Comparison is made between the characteristics of the plasma solutions on closed and open magnetic-field line regions separated by a magnetic separatrix, and simple physical models are used to qualitatively explain the differences observed in mean flow and electric-field generation. The status of extending the simulations to 5D turbulence will be summarized. The code structure used in this ongoing project is also briefly described, together with future plans.

  1. Thermodynamics and kinetics of inhibitor binding to human equilibrative nucleoside transporter subtype-1.

    PubMed

    Rehan, Shahid; Ashok, Yashwanth; Nanekar, Rahul; Jaakola, Veli-Pekka

    2015-12-15

    Many nucleoside transport inhibitors are in clinical use as anti-cancer, vasodilator and cardioprotective drugs. However, little is known about the binding energetics of these inhibitors to nucleoside transporters (NTs) due to their low endogenous expression levels and difficulties in the biophysical characterization of purified protein with ligands. Here, we present kinetics and thermodynamic analyses of inhibitor binding to the human equilibrative nucleoside transporter-1 (hENT1), also known as SLC29A1. Using a radioligand binding assay, we obtained equilibrium binding and kinetic rate constants of well-known NT inhibitors--[(3)H]nitrobenzylmercaptopurine ribonucleoside ([(3)H]NBMPR), dilazep, and dipyridamole--and the native permeant, adenosine, to hENT1. We observed that the equilibrium binding affinities for all inhibitors decreased whereas, the kinetic rate constants increased with increasing temperature. Furthermore, we found that binding is enthalpy driven and thus, an exothermic reaction, implying that the transporter does not discriminate between its inhibitors and substrates thermodynamically. This predominantly enthalpy-driven binding by four chemically distinct ligands suggests that the transporter may not tolerate diversity in the type of interactions that lead to high affinity binding. Consistent with this, the measured activation energy of [(3)H]NBMPR association was relatively large (20 kcal mol(-1)) suggesting a conformational change upon inhibitor binding. For all three inhibitors the enthalpy (ΔH°) and entropy (ΔS°) contributions to the reaction energetics were determined by van't Hoff analysis to be roughly similar (25-75% ΔG°). Gains in enthalpy with increasing polar surface area of inhibitors suggest that the binding is favored by electrostatic or polar interactions between the ligands and the transporter.

  2. Updated Delft Mass Transport model DMT-2: computation and validation

    NASA Astrophysics Data System (ADS)

    Hashemi Farahani, Hassan; Ditmar, Pavel; Inacio, Pedro; Klees, Roland; Guo, Jing; Guo, Xiang; Liu, Xianglin; Zhao, Qile; Didova, Olga; Ran, Jiangjun; Sun, Yu; Tangdamrongsub, Natthachet; Gunter, Brian; Riva, Ricardo; Steele-Dunne, Susan

    2014-05-01

    A number of research centers compute models of mass transport in the Earth's system using primarily K-Band Ranging (KBR) data from the Gravity Recovery And Climate Experiment (GRACE) satellite mission. These models typically consist of a time series of monthly solutions, each of which is defined in terms of a set of spherical harmonic coefficients up to degree 60-120. One of such models, the Delft Mass Transport, release 2 (DMT-2), is computed at the Delft University of Technology (The Netherlands) in collaboration with Wuhan University. An updated variant of this model has been produced recently. A unique feature of the computational scheme designed to compute DMT-2 is the preparation of an accurate stochastic description of data noise in the frequency domain using an Auto-Regressive Moving-Average (ARMA) model, which is derived for each particular month. The benefits of such an approach are a proper frequency-dependent data weighting in the data inversion and an accurate variance-covariance matrix of noise in the estimated spherical harmonic coefficients. Furthermore, the data prior to the inversion are subject to an advanced high-pass filtering, which makes use of a spatially-dependent weighting scheme, so that noise is primarily estimated on the basis of data collected over areas with minor mass transport signals (e.g., oceans). On the one hand, this procedure efficiently suppresses noise, which are caused by inaccuracies in satellite orbits and, on the other hand, preserves mass transport signals in the data. Finally, the unconstrained monthly solutions are filtered using a Wiener filter, which is based on estimates of the signal and noise variance-covariance matrices. In combination with a proper data weighting, this noticeably improves the spatial resolution of the monthly gravity models and the associated mass transport models.. For instance, the computed solutions allow long-term negative trends to be clearly seen in sufficiently small regions notorious

  3. Effects of sorption kinetics on the fate and transport of pharmaceuticals in estuaries.

    PubMed

    Liu, Dong; Lung, Wu-Seng; Colosi, Lisa M

    2013-08-01

    Many current fate and transport models based on the assumption of instantaneous sorption equilibrium of contaminants in the water column may not be valid for certain pharmaceuticals with long times to reach sorption equilibrium. In this study, a sorption kinetics model was developed and incorporated into a water quality model for the Patuxent River Estuary to evaluate the effect of sorption kinetics. Model results indicate that the assumption of instantaneous sorption equilibrium results in significant under-prediction of water column concentrations for some pharmaceuticals. The relative difference between predicted concentrations for the instantaneous versus kinetic approach is as large as 150% at upstream locations in the Patuxent Estuary. At downstream locations, where sorption processes have had sufficient time to reach equilibrium, the relative difference decreases to roughly 25%. This indicates that sorption kinetics affect a model's ability to capture accumulation of pharmaceuticals into riverbeds and the transport of pharmaceuticals in estuaries. These results offer strong evidence that chemicals are not removed from the water column as rapidly as has been assumed on the basis of equilibrium-based analyses. The findings are applicable not only for pharmaceutical compounds, but also for diverse contaminants that reach sorption equilibrium slowly.

  4. New Direction in Hydrogeochemical Transport Modeling: Incorporating Multiple Kinetic and Equilibrium Reaction Pathways

    SciTech Connect

    Steefel, C.I.

    2000-02-02

    At least two distinct kinds of hydrogeochemical models have evolved historically for use in analyzing contaminant transport, but each has important limitations. One kind, focusing on organic contaminants, treats biodegradation reactions as parts of relatively simple kinetic reaction networks with no or limited coupling to aqueous and surface complexation and mineral dissolution/precipitation reactions. A second kind, evolving out of the speciation and reaction path codes, is capable of handling a comprehensive suite of multicomponent complexation (aqueous and surface) and mineral precipitation and dissolution reactions, but has not been able to treat reaction networks characterized by partial redox disequilibrium and multiple kinetic pathways. More recently, various investigators have begun to consider biodegradation reactions in the context of comprehensive equilibrium and kinetic reaction networks (e.g. Hunter et al. 1998, Mayer 1999). Here we explore two examples of multiple equilibrium and kinetic reaction pathways using the reactive transport code GIMRT98 (Steefel, in prep.): (1) a computational example involving the generation of acid mine drainage due to oxidation of pyrite, and (2) a computational/field example where the rates of chlorinated VOC degradation are linked to the rates of major redox processes occurring in organic-rich wetland sediments overlying a contaminated aerobic aquifer.

  5. Kinetics of mass transfer during deep fat frying of yellow fleshed cassava root slices

    NASA Astrophysics Data System (ADS)

    Oyedeji, A. B.; Sobukola, O. P.; Henshaw, F. O.; Adegunwa, M. O.; Sanni, L. O.; Tomlins, K. I.

    2016-05-01

    Kinetics of mass transfer [moisture content, oil uptake, total carotenoid (TC) and shrinkage] during frying of yellow fleshed cassava roots (TMS 01/1371) was investigated. Slices were divided into (i) fresh and (ii) pre-dried to 75 % moisture content before atmospheric frying and (iii) vacuum fried. Percentage TC and activation energies of vacuum, fresh and pre-dried fried samples were 76, 63 and 61 %; and 82, 469.7, 213.7 kJ/mol, respectively.

  6. Model development and verification for mass transport to Escherichia coli cells in a turbulent flow

    NASA Astrophysics Data System (ADS)

    Hondzo, Miki; Al-Homoud, Amer

    2007-08-01

    Theoretical studies imply that fluid motion does not significantly increase the molecular diffusive mass flux toward and away from microscopic organisms. This study presents experimental and theoretical evidence that small-scale turbulence modulates enhanced mass transport to Escherichia coli cells in a turbulent flow. Using the technique of inner region and outer region expansions, a model for dissolved oxygen and glucose uptake by E. coli was developed. The mass transport to the E. coli was modeled by the Sherwood (Sh)-Péclet (Pe) number relationship with redefined characteristic length and velocity scales. The model Sh = (1 + Pe1/2 + Pe) agreed with the laboratory measurements well. The Péclet number that quantifies the role and function of small-scale turbulence on E. coli metabolism is defined by Pe = (?) where Ezz is the root mean square of fluid extension in the direction of local vorticity, ηK is the Kolmogorov length scale, Lc is the length scale of E. coli, and D is the molecular diffusion coefficient. An alternative formulation for the redefined Pe is given by Pe = (?) where ? = 0.5(ɛν)1/4 is the Kolmogorov velocity averaged over the Kolmogorov length scale, ɛ is dissipation of turbulent kinetic energy, and ν is the kinematic viscosity of fluid. The dissipation of turbulent kinetic energy was estimated directly from measured velocity gradients and was within the reported range in engineered and natural aquatic ecosytems. The specific growth of E. coli was up to 5 times larger in a turbulent flow in comparison to the still water controls. Dissolved oxygen and glucose uptake were enhanced with increased ɛ in the turbulent flow.

  7. Comparison of CME masses and kinetic energies near the Sun and in the inner heliosphere

    NASA Technical Reports Server (NTRS)

    Webb, D. F.; Howard, R. A.; Jackson, B. V.

    1995-01-01

    Masses have now been determined for many of the CMEs observed in the inner heliosphere by the HELIOS 1 and 2 zodiacal light photometers. The speed of the brightest material of each CME has also been measured so that, for events having both mass and speed determinations, the kinetic energies of the CMEs are estimated. We compare the masses and kinetic energies of the individual CMEs measured in the inner heliosphere by HELIOS and near the Sun from observations by the SOLWIND (1979-1983) and SMM coronagraphs (1980). Where feasible we also compare the speeds of the same CMEs. We find that the HELIOS masses and energies tend to be somewhat larger by factors of 2-5 than those derived from the coronagraph data. We also compare the distribution of the masses and energies of the HELIOS and coronagraph CMEs over the solar cycle. These results provide an important baseline for observations of CMEs from coronagraphs, from the ISEE-3/ICE, WIND and Ulysses spacecraft and in the future from SOHO.

  8. Metal intercalation-induced selective adatom mass transport on graphene

    DOE PAGESBeta

    Liu, Xiaojie; Wang, Cai -Zhuang; Hupalo, Myron; Lin, Hai -Qing; Ho, Kai -Ming; Thiel, Patricia A.; Tringides, Michael C.

    2016-03-29

    Recent experiments indicate that metal intercalation is a very effective method to manipulate the graphene-adatom interaction and control metal nanostructure formation on graphene. A key question is mass transport, i.e., how atoms deposited uniformly on graphene populate different areas depending on the local intercalation. Using first-principles calculations, we show that partially intercalated graphene, with a mixture of intercalated and pristine areas, can induce an alternating electric field because of the spatial variations in electron doping, and thus, an oscillatory electrostatic potential. As a result, this alternating field can change normal stochastic adatom diffusion to biased diffusion, leading to selective massmore » transport and consequent nucleation, on either the intercalated or pristine areas, depending on the charge state of the adatoms.« less

  9. Kinetic theory of transport processes in partially ionized reactive plasma, II: Electron transport properties

    NASA Astrophysics Data System (ADS)

    Zhdanov, V. M.; Stepanenko, A. A.

    2016-11-01

    The previously obtained in (Zhdanov and Stepanenko, 2016) general transport equations for partially ionized reactive plasma are employed for analysis of electron transport properties in molecular and atomic plasmas. We account for both elastic and inelastic interaction channels of electrons with atoms and molecules of plasma and also the processes of electron impact ionization of neutral particles and three-body ion-electron recombination. The system of scalar transport equations for electrons is discussed and the expressions for non-equilibrium corrections to electron ionization and recombination rates and the diagonal part of the electron pressure tensor are derived. Special attention is paid to analysis of electron energy relaxation during collisions with plasma particles having internal degrees of freedom and the expression for the electron coefficient of inelastic energy losses is deduced. We also derive the expressions for electron vector and tensorial transport fluxes and the corresponding transport coefficients for partially ionized reactive plasma, which represent a generalization of the well-known results obtained by Devoto (1967). The results of numerical evaluation of contribution from electron inelastic collisions with neutral particles to electron transport properties are presented for a series of molecular and atomic gases.

  10. Flow field design and optimization based on the mass transport polarization regulation in a flow-through type vanadium flow battery

    NASA Astrophysics Data System (ADS)

    Zheng, Qiong; Xing, Feng; Li, Xianfeng; Ning, Guiling; Zhang, Huamin

    2016-08-01

    Vanadium flow battery holds great promise for use in large scale energy storage applications. However, the power density is relatively low, leading to significant increase in the system cost. Apart from the kinetic and electronic conductivity improvement, the mass transport enhancement is also necessary to further increase the power density and reduce the system cost. To better understand the mass transport limitations, in the research, the space-varying and time-varying characteristic of the mass transport polarization is investigated based on the analysis of the flow velocity and reactant concentration in the bulk electrolyte by modeling. The result demonstrates that the varying characteristic of mass transport polarization is more obvious at high SoC or high current densities. To soften the adverse impact of the mass transport polarization, a new rectangular plug flow battery with a plug flow and short flow path is designed and optimized based on the mass transport polarization regulation (reducing the mass transport polarization and improving its uniformity of distribution). The regulation strategy of mass transport polarization is practical for the performance improvement in VFBs, especially for high power density VFBs. The findings in the research are also applicable for other flow batteries and instructive for practical use.

  11. Engineering Synergy: Energy and Mass Transport in Hybrid Nanomaterials.

    PubMed

    Cho, Eun Seon; Coates, Nelson E; Forster, Jason D; Ruminski, Anne M; Russ, Boris; Sahu, Ayaskanta; Su, Norman C; Yang, Fan; Urban, Jeffrey J

    2015-10-14

    An emerging class of materials that are hybrid in nature is propelling a technological revolution in energy, touching many fundamental aspects of energy-generation, storage, and conservation. Hybrid materials combine classical inorganic and organic components to yield materials that manifest new functionalities unattainable in traditional composites or other related multicomponent materials, which have additive function only. This Research News article highlights the exciting materials design innovations that hybrid materials enable, with an eye toward energy-relevant applications involving charge, heat, and mass transport. PMID:25754355

  12. Effect of body mass and midsole hardness on kinetic and perceptual variables during basketball landing manoeuvres.

    PubMed

    Nin, Darren Z; Lam, Wing K; Kong, Pui W

    2016-01-01

    This study investigated the effects of body mass and shoe midsole hardness on kinetic and perceptual variables during the performance of three basketball movements: (1) the first and landing steps of layup, (2) shot-blocking landing and (3) drop landing. Thirty male basketball players, assigned into "heavy" (n = 15, mass 82.7 ± 4.3 kg) or "light" (n = 15, mass 63.1 ± 2.8 kg) groups, performed five trials of each movement in three identical shoes of varying midsole hardness (soft, medium, hard). Vertical ground reaction force (VGRF) during landing was sampled using multiple wooden-top force plates. Perceptual responses on five variables (forefoot cushioning, rearfoot cushioning, forefoot stability, rearfoot stability and overall comfort) were rated after each movement condition using a 150-mm Visual Analogue Scale (VAS). A mixed factorial analysis of variance (ANOVA) (Body Mass × Shoe) was applied to all kinetic and perceptual variables. During the first step of the layup, the loading rate associated with rearfoot contact was 40.7% higher in the "heavy" than "light" groups (P = .014) and 12.4% higher in hard compared with soft shoes (P = .011). Forefoot peak VGRF in a soft shoe was higher (P = .011) than in a hard shoe during shot-block landing. Both "heavy" and "light" groups preferred softer to harder shoes. Overall, body mass had little effect on kinetic or perceptual variables. PMID:26211423

  13. Effect of body mass and midsole hardness on kinetic and perceptual variables during basketball landing manoeuvres.

    PubMed

    Nin, Darren Z; Lam, Wing K; Kong, Pui W

    2016-01-01

    This study investigated the effects of body mass and shoe midsole hardness on kinetic and perceptual variables during the performance of three basketball movements: (1) the first and landing steps of layup, (2) shot-blocking landing and (3) drop landing. Thirty male basketball players, assigned into "heavy" (n = 15, mass 82.7 ± 4.3 kg) or "light" (n = 15, mass 63.1 ± 2.8 kg) groups, performed five trials of each movement in three identical shoes of varying midsole hardness (soft, medium, hard). Vertical ground reaction force (VGRF) during landing was sampled using multiple wooden-top force plates. Perceptual responses on five variables (forefoot cushioning, rearfoot cushioning, forefoot stability, rearfoot stability and overall comfort) were rated after each movement condition using a 150-mm Visual Analogue Scale (VAS). A mixed factorial analysis of variance (ANOVA) (Body Mass × Shoe) was applied to all kinetic and perceptual variables. During the first step of the layup, the loading rate associated with rearfoot contact was 40.7% higher in the "heavy" than "light" groups (P = .014) and 12.4% higher in hard compared with soft shoes (P = .011). Forefoot peak VGRF in a soft shoe was higher (P = .011) than in a hard shoe during shot-block landing. Both "heavy" and "light" groups preferred softer to harder shoes. Overall, body mass had little effect on kinetic or perceptual variables.

  14. Kinetic Alfven Waves at the Magnetopause--Mode Conversion, Transport and Formation of LLBL

    SciTech Connect

    Jay R. Johnson; C.Z. Cheng

    2002-05-31

    At the magnetopause, large amplitude, low-frequency (ULF), transverse MHD waves are nearly always observed. These waves likely result from mode conversion of compressional MHD waves observed in the magnetosheath to kinetic Alfven waves at the magnetopause where there is a steep gradient in the Alfven velocity [Johnson and Cheng, Geophys. Res. Lett. 24 (1997) 1423]. The mode-conversion process can explain the following wave observations typically found during satellite crossings of the magnetopause: (1) a dramatic change in wave polarization from compressional in the magnetosheath to transverse at the magnetopause, (2) an amplification of wave amplitude at the magnetopause, (3) a change in Poynting flux from cross-field in the magnetosheath to field-aligned at the magnetopause, and (4) a steepening in the wave power spectrum at the magnetopause. We examine magnetic field data from a set of ISEE1, ISEE2, and WIND magnetopause crossings and compare with the predictions of theoretical wave solutions based on the kinetic-fluid model with particular attention to the role of magnetic field rotation across the magnetopause. The results of the study suggest a good qualitative agreement between the observations and the theory of mode conversion to kinetic Alfven waves. Because mode-converted kinetic Alfven waves readily decouple particles from the magnetic field lines, efficient quasilinear transport (D {approx} 109m2/s) can occur. Moreover, if the wave amplitude is sufficiently large (Bwave/B0 > 0.2) stochastic particle transport also occurs. This wave-induced transport can lead to significant heating and particle entry into the low latitude boundary layer across closed field lines.At the magnetopause, large amplitude, low-frequency (ULF), transverse MHD waves are nearly always observed. These waves likely result from mode conversion of compressional MHD waves observed in the magnetosheath to kinetic Alfven waves at the magnetopause where there is a steep gradient in the

  15. Impedance Analysis of Ion Transport Through Supported Lipid Membranes Doped with Ionophores: A New Kinetic Approach

    PubMed Central

    Alvarez, P. E.; Vallejo, A. E.

    2008-01-01

    Kinetics of facilitated ion transport through planar bilayer membranes are normally analyzed by electrical conductance methods. The additional use of electrical relaxation techniques, such as voltage jump, is necessary to evaluate individual rate constants. Although electrochemical impedance spectroscopy is recognized as the most powerful of the available electric relaxation techniques, it has rarely been used in connection with these kinetic studies. According to the new approach presented in this work, three steps were followed. First, a kinetic model was proposed that has the distinct quality of being general, i.e., it properly describes both carrier and channel mechanisms of ion transport. Second, the state equations for steady-state and for impedance experiments were derived, exhibiting the input–output representation pertaining to the model’s structure. With the application of a method based on the similarity transformation approach, it was possible to check that the proposed mechanism is distinguishable, i.e., no other model with a different structure exhibits the same input–output behavior for any input as the original. Additionally, the method allowed us to check whether the proposed model is globally identifiable (i.e., whether there is a single set of fit parameters for the model) when analyzed in terms of its impedance response. Thus, our model does not represent a theoretical interpretation of the experimental impedance but rather constitutes the prerequisite to select this type of experiment in order to obtain optimal kinetic identification of the system. Finally, impedance measurements were performed and the results were fitted to the proposed theoretical model in order to obtain the kinetic parameters of the system. The successful application of this approach is exemplified with results obtained for valinomycin–K+ in lipid bilayers supported onto gold substrates, i.e., an arrangement capable of emulating biological membranes. PMID:19669528

  16. Drug Release Kinetics and Transport Mechanisms of Non-degradable and Degradable Polymeric Delivery Systems

    PubMed Central

    Fu, Yao; Kao, Weiyuan John

    2010-01-01

    Importance of the field The advancement in material design and engineering has led to the rapid development of novel materials with increasing complexity and functions. Both non-degradable and degradable polymers have found wide applications in the controlled delivery field. Studies on drug release kinetics provide important information into the function of material systems. To elucidate the detailed transport mechanism and the structure-function relationship of a material system, it is critical to bridge the gap between the macroscopic data and the transport behavior at the molecular level. Areas covered in this review The structure and function information of selected non-degradable and degradable polymers have been collected and summarized from literatures published after 1990s. The release kinetics of selected drug compounds from various material systems will be discussed in case studies. Recent progresses in the mathematical models based on different transport mechanisms will be highlighted. What the reader will gain This article aims to provide an overview of structure-function relationships of selected non-degradable and degradable polymers as drug delivery matrices. Take home message Understanding the structure-function relationship of the material system is key to the successful design of a delivery system for a particular application. Moreover, developing complex polymeric matrices requires more robust mathematical models to elucidate the solute transport mechanisms. PMID:20331353

  17. A Computer Code System for the Calculation of Reactivity and Kinetic Parameters by One-Dimensional Neutron Transport Perturbation Theory.

    1985-02-01

    Version 00 TP1 is a transport theory code, developed to determine reactivity effects and kinetic parameters such as effective delayed neutron fractions and mean generation time by applying the usual perturbation formalism for one-dimensional geometry.

  18. A Computer Program for the Calculation of Reactivity and Kinetic Parameters by Two-Dimensional Neutron Transport Perturbation Theory.

    1985-02-01

    Version 00 TP2 is a transport theory code, developed to determine reactivity effects and kinetic parameters such as effective delayed neutron fractions and mean generation time by applying the usual perturbation formalism for two-dimensional geometry.

  19. Mass Flux of ZnSe by Physical Vapor Transport

    NASA Technical Reports Server (NTRS)

    Sha, Yi-Gao; Su, Ching-Hua; Palosz, W.; Volz, M. P.; Gillies, D. C.; Szofran, F. R.; Lehoczky, S. L.; Liu, Hao-Chieh; Brebrick, R. F.

    1995-01-01

    Mass fluxes of ZnSe by physical vapor transport (PVT) were measured in the temperature range of 1050 to 1160 C using an in-situ dynamic technique. The starting materials were either baked out or distilled under vacuum to obtain near-congruently subliming compositions. Using an optical absorption technique Zn and Se, were found to be the dominant vapor species. Partial pressures of Zn and Se, over the starting materials at temperatures between 960 and 1140 C were obtained by measuring the optical densities of the vapor phase at the wavelengths of 2138, 3405, 3508, 3613, and 3792 A. The amount and composition of the residual gas inside the experimental ampoules were measured after the run using a total pressure gauge. For the first time, the experimentally determined partial pressures of Zn and Se, and the amount and composition of the residual gas were used in a one-dimensional diffusion limited analysis of the mass transport rates for a PVT system. Reasonable agreement between the experimental and theoretical results was observed.

  20. Angular momentum transport within evolved low-mass stars

    SciTech Connect

    Cantiello, Matteo; Bildsten, Lars; Paxton, Bill; Mankovich, Christopher; Christensen-Dalsgaard, Jørgen

    2014-06-10

    Asteroseismology of 1.0-2.0 M {sub ☉} red giants by the Kepler satellite has enabled the first definitive measurements of interior rotation in both first ascent red giant branch (RGB) stars and those on the helium burning clump. The inferred rotation rates are 10-30 days for the ≈0.2 M {sub ☉} He degenerate cores on the RGB and 30-100 days for the He burning core in a clump star. Using the Modules for Experiments in Stellar Evolution code, we calculate state-of-the-art stellar evolution models of low mass rotating stars from the zero-age main sequence to the cooling white dwarf (WD) stage. We include transport of angular momentum due to rotationally induced instabilities and circulations, as well as magnetic fields in radiative zones (generated by the Tayler-Spruit dynamo). We find that all models fail to predict core rotation as slow as observed on the RGB and during core He burning, implying that an unmodeled angular momentum transport process must be operating on the early RGB of low mass stars. Later evolution of the star from the He burning clump to the cooling WD phase appears to be at nearly constant core angular momentum. We also incorporate the adiabatic pulsation code, ADIPLS, to explicitly highlight this shortfall when applied to a specific Kepler asteroseismic target, KIC8366239.

  1. Experimental Studies on Mass Transport of Cadmium-Zinc Telluride by Physical Vapor Transport

    NASA Technical Reports Server (NTRS)

    Palosz, W.; Szofran, F. R.; Lehoczky, S. L.

    1995-01-01

    Experimental studies on mass transport of ternary compound, Cd(1-x)Zn(x)Te by physical vapor transport (PVT) for source compositions up to X = 0.21 are presented. The effect of thermochemical (temperatures, vapor composition) and other factors (preparation of the source, crystal growth rate, temperature gradient) on composition and composition profiles of the grown crystals were investigated. A steep decrease in the mass flux with an increase in X(crystal) for X less than 0.1, and a difference in composition between the source and the deposited material have been observed. The composition profiles of the crystals were found to depend on the density and pretreatment of the source, and on the temperature gradient in the source zone. The homogeneity of the crystals improves at low undercoolings and/or when an appropriate excess of metal constituents is present in the vapor phase. The experimental results are in good agreement with our thermochemical model of this system.

  2. Kinetic modeling of pH-dependent antimony (V) sorption and transport in iron oxide-coated sand.

    PubMed

    Cai, Yongbing; Li, Lulu; Zhang, Hua

    2015-11-01

    Understanding the mechanisms and kinetics controlling the retention and transport of antimony (Sb) is prerequisite for evaluating the risk of groundwater contamination by the toxic element. In this study, kinetic batch and saturated miscible displacement experiments were performed to investigate effects of protonation-deprotonation reactions on sorption-desorption and transport of Sb(V) in iron oxide-coated sand (IOCS). Results clearly demonstrated that Sb(V) sorption was highly nonlinear and time dependent, where both sorption capacity and kinetic rates decreased with increasing solution pH. Breakthrough curves (BTCs) obtained at different solution pH exhibited that mobility of Sb(V) were higher under neutral to alkaline condition than under acidic condition. Because of the nonlinear and non-equilibrium nature of Sb(V) retention and transport, multi-reaction models (MRM) with equilibrium and kinetic sorption expressions were utilized successfully to simulate the experiment data. Equilibrium distribution coefficient (Ke) and reversible kinetic retention parameters (k1 and k2) of both kinetic sorption and transport experiment showed marked decrease as pH increased from 4.0 to 7.5. Surface complexation is suggested as the dominant mechanism for the observed pH-dependent phenomena, which need to be incorporated into the kinetic models to accurately simulate the reactive transport of Sb(V) in vadose zone and aquifers.

  3. Mass transport in physical and biological BTEX removal in a sandy aquifer

    SciTech Connect

    Sturman, P.J.; Cunningham, A.B.; Niehaus, S.L.; Wolfram, J.H.

    1995-12-31

    Injection of oxygen and nutrient-amended water facilitated alkylbenzene biodegradation in a sandy aquifer. Pumping recovery wells and air-stripping groundwater further hastened contaminant removal downgradient from the source area. High monitoring well density allowed calculation of a contaminant mass balance using contour plots developed with Surfer{reg_sign} software. Physical removal (air-stripping) and in situ attenuation appear equally responsible for contaminant removal within this aquifer. Dissolved oxygen data implicate biodegradation as the responsible in situ mechanism with a good stoichiometric fit to BTEX attenuation data. Selective plating confirmed the presence of hydrocarbon-degrading bacteria. Calculations indicate desorption is a major source for recontamination of site groundwater. Contaminant reduction is most pronounced immediately downgradient from reinjection wells. Advective transport and mixing of oxygen in the contaminated zone, rather than microbial kinetics, appears to limit in situ contaminant attenuation.

  4. Reactive Transport in Porous Media: Pore-scale Mass Exchange between Aqueous Phase and Biofilms

    NASA Astrophysics Data System (ADS)

    Hassanizadeh, S.; Qin, C.

    2013-12-01

    and biofilms is empirically introduced which lacks somewhat physical fundamentals. Therefore, to better characterize the mass exchange between aqueous phase and biofilms, in this work we start with the local descriptions of solute transport in porous media with biofilms. Then, the upscaled average equations of solute transport in both aqueous phase and biofilms are obtained by averaging the local equations over a domain of interest, like a pore throat or a typical REV of porous media. Based on some assumptions, we can reach a general form of first-order kinetic mass exchange model. As a first attempt, we limit investigates of solute mass exchange to the pore scale. The dependence of pore-scale mass exchange coefficient on a number of pore-scale parameters (such as pore structure, Damköhler number and volume fraction of biofilms) is investigated. Our studies show that this coefficient strongly depends on pore geometry, volume fraction of biofilms, Damköhler number and diffusivity ratio. Particularly, our results can be key inputs to the pore-network modeling of bioclogging.

  5. Kinetic Study of Plasma Transport from Turbulence Driven by Parallel Velocity Shear

    NASA Astrophysics Data System (ADS)

    Fu, X. Y.; Dong, J. Q.; Horton, W.

    1996-11-01

    Particle, momentum and energy transport from turbulence in plasmas with multiple ion species are studied. The turbulence driven by a parallel velocity shear, a ion temperature gradient and an impurity density gradient is considered. The kinetic theory in a sheared slab configuration is applied. Both positive and negative magnetic shears are studied. The effects of a perpendicular velocity shear of the ions are taken into account. The impurity and hydrogenic ions are treated equally. A special attention is paid to the regimes with a low magnetic shear where it is demonstrated that the turbulence induced Reynold stress is higher, beneficial to the poloidal shear flow generation, and the stabilizing effects of such flow are dramatically enhanced. In addition, it is found that the fluxes may change direction depending on plasma parameters and turbulence driving mechanisms. Quasi-linear evaluations of the transport are given . Possible correlations with tokamak experiments such as formation of an internal transport barrier are discussed.

  6. Mass transfer kinetics on heterogeneous binding sites of molecularly imprinted polymers

    SciTech Connect

    Kim, Hyunjung; Kaczmarski, Krzysztof; Guiochon, Georges A

    2005-07-01

    The mass transfer kinetics of the L- and D-Fmoc-Tryptophan (Fmoc-Trp) enantiomers on Fmoc-L-Trp imprinted polymer (MIP) and on its reference polymer (NIP), were measured using their elution peak profiles and the breakthrough curves recorded in frontal analysis for the determination of their equilibrium isotherms, at temperatures of 40, 50, 60, and 70 C. At all temperatures, the isotherm data of the Fmoc-Trp enantiomers on the MIP were best accounted for by the Tri-Langmuir isotherm model, while the isotherm data of Fmoc-Trp on the NIP were best accounted for by the Bi-Langmuir isotherm model. The profiles of the elution bands of various amounts of each enantiomer were acquired in the concentration range from 0.1 to 40 mM. These experimental profiles were compared with those calculated using the best values estimated for the isotherm parameters and the lumped pore diffusion model (POR), which made possible to calculate the intraparticle diffusion coefficients for each system. The results show that surface diffusion contributes predominantly to the overall mass transfer kinetics on both the MIP and the NIP, compared to external mass transfer and pore diffusion. The surface diffusion coefficients (D{sub s}) of Fmoc-L-Trp on the NIP does not depend on the amount bound (q) while the values of D{sub s} for the two Fmoc-Trp enantiomers on the MIP increase with increasing q at all temperatures. These positive dependencies of D{sub s} on q for Fmoc-Trp on the MIP were fairly well modeled by indirectly incorporating surface heterogeneity into the surface diffusion coefficient. The results obtained show that the mass transfer kinetics of the enantiomers on the imprinted polymers depend strongly on the surface heterogeneity.

  7. A solution for multicomponent reactive transport under equilibrium and kinetic reactions

    NASA Astrophysics Data System (ADS)

    Sanchez-Vila, Xavier; Donado, Leonardo David; Guadagnini, Alberto; Carrera, Jesus

    2010-07-01

    Analysis of the space-time evolution of reactive solutes in porous systems is complex owing to the presence of different types of chemical reactions. The complete description of a reactive transport scenario entails calculating the spatial and temporal distribution of species concentrations and reaction rates. Here we develop an exact explicit expression for the space-time distribution of reaction rates for a scenario where the geochemical system can be described by an arbitrary number of equilibrium (fast) reactions and one kinetic (slow) reaction, in the absence of non-constant-activity immobile species. The key result is that the equilibrium reaction rate is the sum of two terms representing the availability of reactants. One term involves diffusion and dispersion and represents the contribution of mixing. The other term includes the contribution of the kinetic reaction. The approach also yields the local concentrations of all dissolved species. Yet the latter are not needed for the direct computation of equilibrium reaction rates. We illustrate the approach by means of a simple reactive transport scenario, involving a common ion effect in the presence of a kinetic and an equilibrium reaction leading to precipitation and dissolution processes within a one-dimensional fully saturated porous medium. The example highlights the highly nonlinear and nonmonotonic response of the system to the controlling input parameters.

  8. A new dynamic fluid-kinetic model for plasma transport within the plasmaspheric plume

    NASA Astrophysics Data System (ADS)

    Wang, Y.; Tu, J.; Song, P.

    2011-12-01

    A new dynamic fluid-kinetic (DyFk) model is proposed and developed for investigating the plasma transport from the plasmasphere to the dayside magnetopause through the plasmaspheric plume. This model treats a closed flux tube in a local sense, in contrast to the global sense. The flux tube is allowed to move both radially from near the Earth to the magnetopause, which may result in expansion in its volume, and azimuthally around the Earth. Plasma may flow along the flux tube. The numerical simulation model couples a truncated version of the field line interhemispheric plasma (FLIP) model at altitudes below 800 km and a generalized semi-kinetic (GSK) model above it with an overlapped boundary region in each of the hemispheres. A self-consistently treatment of the ionospheric losses and production with possible heat sinks couples to a kinetic treatment of the multiple ion species (O+/ H+/ He+) and electrons in the plasmasphere. This model includes the effects of the convection of the plasmaspheric flux tube, parallel electric field, magnetic mirror force, centrifugal force, changing ionospheric conditions, Coulomb and ion-neutral collisions, and anisotropic temperatures, as well as the wave-particle interaction. The preliminary simulation results of the multi-species ion transport within a plasmaspheric plume will be presented.

  9. 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

  10. 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.

  11. Cerium oxide nanoparticle uptake kinetics from the gas-phase into lung cells in vitro is transport limited.

    PubMed

    Raemy, David O; Limbach, Ludwig K; Rothen-Rutishauser, Barbara; Grass, Robert N; Gehr, Peter; Birbaum, Karin; Brandenberger, Christina; Günther, Detlef; Stark, Wendelin J

    2011-04-01

    Nowadays, aerosol processes are widely used for the manufacture of nanoparticles (NPs), creating an increased occupational exposure risk of workers, laboratory personnel and scientists to airborne particles. There is evidence that possible adverse effects are linked with the accumulation of NPs in target cells, pointing out the importance of understanding the kinetics of particle internalization. In this context, the uptake kinetics of representative airborne NPs over 30 min and their internalization after 24 h post-exposure were investigated by the use of a recently established exposure system. This system combines the production of aerosolized cerium oxide (CeO(2)) NPs by flame spray synthesis with its simultaneous particle deposition from the gas-phase onto A549 lung cells, cultivated at the air-liquid interface. Particle uptake was quantified by mass spectrometry after several exposure times (0, 5, 10, 20 and 30 min). Over 35% of the deposited mass was found internalized after 10 min exposure, a value that increased to 60% after 30 min exposure. Following an additional 24 h post-incubation, a time span, after which adverse biological effects were observed in previous experiments, over 80% of total CeO(2) could be detected intracellularly. On the ultrastructural level, focal cerium aggregates were present on the apical surface of A549 cells and could also be localized intracellularly in vesicular structures. The uptake behaviour of aerosolized CeO(2) is in line with observations on cerium suspensions, where particle mass transport was identified as the rate-limiting factor for NP internalization. PMID:21118721

  12. Kinetics of mass crystallization of calcium carbonate at 25, 30 and 37 °C

    NASA Astrophysics Data System (ADS)

    Rosa, Silvia; Lundager Madsen, Hans E.

    2011-03-01

    Calcium carbonate crystal growth kinetics was studied by simple mass crystallization, recording pH as function of time. The phase crystallizing was vaterite at 25 °C, calcite at 30 °C and aragonite at 37 °C. Growth kinetics at the initial stage followed that of the polynuclear surface nucleation mechanism, and from the slopes of linearized graphs edge free energies of the three phases could be determined. The values were: calcite 35.4 pJ/m at 30 °C, aragonite 32.3 pJ/m at 37 °C and vaterite 24.2 pJ/m at 25 °C. These values agree reasonably well with literature values determined by other methods, and they are useful in testing the validity of the relation between step distance of a growth spiral and size of a critical surface nucleus as assumed in the Burton-Cabrera-Frank theory.

  13. A Model of Heat and Mass Transfer in a Porous Cometary Nucleus Based on a Kinetic Treatment of Mass Flow

    NASA Astrophysics Data System (ADS)

    Skorov, Yu. V.; Kömle, N. I.; Keller, H. U.; Kargl, G.; Markiewicz, W. J.

    2001-09-01

    The main aspect of this paper is to provide a synthesis between two major lines of development in the understanding of mass and heat transfer in a volatile porous medium. The first one is a macroscopic approach, where the medium is considered as a continuum, and heat and mass transfer equations are solved under appropriate boundary conditions for temperature and gas pressure (G. Steiner and N. I. Kömle 1991, Planet. Space Sci.39, 507-513; Y. Mekler et al. 1990, Astrophys. J.356, 682-686; S. J. Espinasse et al. 1991, Icarus92, 350-365), while the second one is a kinetic model, calculating gas flow in tubes under the assumption of a known temperature distribution (N. I. Kömle and G. Dettleff 1991, Icarus89, 73-84; Yu. V. Skorov et al. 1999, Icarus140, 173-188). We review briefly the main aspects of this previous work, and subsequently present a combined consistent model, which uses a macroscopic heat transfer equation, but kinetic solutions for the gas flow. This new model was implemented as a numerical code and its performance is demonstrated by a couple of example calculations. The main advantage of the new model in comparison to the macroscopic approach is the fact that it avoids specifying a boundary condition for gas pressure at the surface, because the emitted gas flux is found at any time with the aid of the kinetic calculation. The local balance of sublimation and condensation in the interior of the porous ice can be calculated more consistently than is possible by macroscopic models only, because surface pressure and density develop in a "natural" way and no external boundary condition for the pressure must be imposed. We consider the development of temperature distribution and gas flux in ice samples in response to surface irradiation. Both pure ice and ice covered by a dust mantle are studied. The results are compared with corresponding solutions obtained on the basis of a macroscopic model, and differences are discussed in detail. Finally, experimental

  14. How changing the particle structure can speed up protein mass transfer kinetics in liquid chromatography.

    PubMed

    Gritti, Fabrice; Horvath, Krisztian; Guiochon, Georges

    2012-11-01

    The mass transfer kinetics of a few compounds (uracil, 112 Da), insulin (5.5 kDa), lysozyme (13.4 kDa), and bovine serum albumin (BSA, 67 kDa) in columns packed with several types of spherical particles was investigated under non-retained conditions, in order to eliminate the poorly known contribution of surface diffusion to overall sample diffusivity across the porous particles in RPLC. Diffusivity across particles is then minimum. Based on the porosity of the particles accessible to analytes, it was accurately estimated from the elution times, the internal obstruction factor (using Pismen correlation), and the hindrance diffusion factor (using Renkin correlation). The columns used were packed with fully porous particles 2.5 μm Luna-C(18) 100 Å, core-shell particles 2.6 μm Kinetex-C(18) 100 Å, 3.6 μm Aeris Widepore-C(18) 200 Å, and prototype 2.7 μm core-shell particles (made of two concentric porous shells with 100 and 300 Å average pore size, respectively), and with 3.3 μm non-porous silica particles. The results demonstrate that the porous particle structure and the solid-liquid mass transfer resistance have practically no effect on the column efficiency for small molecules. For them, the column performance depends principally on eddy dispersion (packing homogeneity), to a lesser degree on longitudinal diffusion (effective sample diffusivity along the packed bed), and only slightly on the solid-liquid mass transfer resistance (sample diffusivity across the particle). In contrast, for proteins, this third HETP contribution, hence the porous particle structure, together with eddy dispersion govern the kinetic performance of columns. Mass transfer kinetics of proteins was observed to be fastest for columns packed with core-shell particles having either a large core-to-particle ratio or having a second, external, shell made of a thin porous layer with large mesopores (200-300 Å) and a high porosity (~/=0.5-0.7). The structure of this external shell seems

  15. Improved Predictions of Carbon Tetrachloride Contaminant Flow and Transport: Implementation of Kinetic Volatilization and Multicomponent NAPL Behavior

    SciTech Connect

    Oostrom, Martinus; Zhang, Z. F.; Freedman, Vicky L.; Tartakovsky, Guzel D.

    2008-09-29

    Carbon tetrachloride (CT) was discharged to waste sites that are included in the 200-PW-1 Operable Unit in Hanford 200 West Area. Fluor Hanford, Inc. is conducting a Comprehensive Environmental Response, Compensation, and Liability Act (CERCLA) remedial investigation/feasibility study (RI/FS) for the 200-PW-1 Operable Unit. The RI/FS process and remedial investigations for the 200-PW-1, 200 PW-3, and 200-PW-6 Operable Units are described in the Plutonium/Organic-Rich Process Condensate/Process Waste Groups Operable Unit RI/FS Work Plan. As part of this overall effort, Pacific Northwest National Laboratory (PNNL) was contracted to improve the STOMP simulator (White and Oostrom, 2006) by incorporating kinetic volatilization of nonaqueous phase liquids (NAPL) and multicomponent flow and transport. This work supports the U.S. Department of Energy's (DOE's) efforts to characterize the nature and distribution of CT in the 200 West Area and subsequently select an appropriate final remedy. Previous numerical simulation results with the STOMP simulator have overestimated the effect of soil vapor extraction (SVE) on subsurface CT, showing rapid removal of considerably more CT than has actually been recovered so far. These previous multiphase simulations modeled CT mass transfer between phases based on equilibrium partitioning. Equilibrium volatilization can overestimate volatilization because mass transfer limitations present in the field are not considered. Previous simulations were also conducted by modeling the NAPL as a single component, CT. In reality, however, the NAPL mixture disposed of at the Hanford site contained several non-volatile and nearly insoluble organic components, resulting in time-variant fluid properties as the CT component volatilized or dissolved over time. Simulation of CT removal from a DNAPL mixture using single-component DNAPL properties typically leads to an overestimation of CT removal. Other possible reasons for the discrepancy between

  16. Reaction kinetic parameters for ion transport from steady-state current-voltage curves.

    PubMed Central

    Gradmann, D; Klieber, H G; Hansen, U P

    1987-01-01

    This study demonstrates possible ways to estimate the rate constants of reaction kinetic models for ion transport from steady-state current-voltage data as measured at various substrate concentrations. This issue is treated theoretically by algebraic reduction and extension of a reaction kinetic four-state model for uniport. Furthermore, an example for application is given; current-voltage data from an open K+ selective channel (Schroeder, J.I., R. Hedrich, and J.M. Fernandez, 1984, Nature (Lond.), 312:361-362) supplemented by some new data have been evaluated. The analysis yields absolute numerical estimates of the 14 rate constants of a six-state model, which is discussed in a wider context. PMID:2437973

  17. Second order kinetic theory of parallel momentum transport in collisionless drift wave turbulence

    NASA Astrophysics Data System (ADS)

    Li, Yang; Gao, Zhe; Chen, Jiale

    2016-08-01

    A second order kinetic model for turbulent ion parallel momentum transport is presented. A new nonresonant second order parallel momentum flux term is calculated. The resonant component of the ion parallel electrostatic force is the momentum source, while the nonresonant component of the ion parallel electrostatic force compensates for that of the nonresonant second order parallel momentum flux. The resonant component of the kinetic momentum flux can be divided into three parts, including the pinch term, the diffusive term, and the residual stress. By reassembling the pinch term and the residual stress, the residual stress can be considered as a pinch term of parallel wave-particle resonant velocity, and, therefore, may be called as "resonant velocity pinch" term. Considering the resonant component of the ion parallel electrostatic force is the transfer rate between resonant ions and waves (or, equivalently, nonresonant ions), a conservation equation of the parallel momentum of resonant ions and waves is obtained.

  18. First-passage kinetic Monte Carlo on lattices: Hydrogen transport in lattices with traps

    NASA Astrophysics Data System (ADS)

    von Toussaint, U.; Schwarz-Selinger, T.; Schmid, K.

    2015-08-01

    A new algorithm for the diffusion in 2D and 3D discrete simple cubic lattices based on a recently proposed technique, Green-functions or first-passage kinetic Monte Carlo has been developed. It is based on the solutions of appropriately chosen Greens functions, which propagate the diffusing atoms over long distances in one step (superhops). The speed-up of the new approach over standard kinetic Monte Carlo techniques can be orders of magnitude, depending on the problem. Using this new algorithm we simulated recent hydrogen isotope exchange experiments in recrystallized tungsten at 320 K, initially loaded with deuterium. It was found that the observed depth profiles can only be explained with 'active' traps, i.e. traps capable of exchanging atoms with activation energies significantly lower than the actual trap energy. Such a mechanism has so far not been considered in the modeling of hydrogen transport.

  19. Solvent-Induced Crystallization in Poly(Ethylene Terephthalate) during Mass Transport

    NASA Astrophysics Data System (ADS)

    Ouyang, Hao

    2001-03-01

    The solvent transport in poly(ethylene terephthalate) (PET) and related phase transformation were investigated. The data of mass sorption were analyzed according to Harmon¡¦s model for Case I (Fickian), Case II (swelling) and anomalous transport. This transport process in PET is accompanied by the induced crystallization of the original amorphous state. The transformation was studied by wide angle x-ray scattering (WAXS), small angle x-ray scattering (SAXS), Differential Scanning Calorimeter (DSC), density gradient column, and Fourier Transform Infra-Red (FTIR). During this process, the matrix is under a compressive strain that causes different kinetic path of crystallization as compared to that by thermal annealing. This state of strain will assist the development of the solvent-induced crystallization. It also can be explained in terms of the principle of Le Chatelier if the local equilibrium is assumed. The model regarding the crystallization was proposed in terms of the study of long period L, the crystal thickness lc and the thickness of amorphous layer la, obtained from the linear correlation function and interface distribution function.

  20. A reaction-based paradigm to model reactive chemical transport in groundwater with general kinetic and equilibrium reactions.

    PubMed

    Zhang, Fan; Yeh, Gour-Tsyh; Parker, Jack C; Brooks, Scott C; Pace, Molly N; Kim, Young-Jin; Jardine, Philip M; Watson, David B

    2007-06-16

    This paper presents a reaction-based water quality transport model in subsurface flow systems. Transport of chemical species with a variety of chemical and physical processes is mathematically described by M partial differential equations (PDEs). Decomposition via Gauss-Jordan column reduction of the reaction network transforms M species reactive transport equations into two sets of equations: a set of thermodynamic equilibrium equations representing N(E) equilibrium reactions and a set of reactive transport equations of M-N(E) kinetic-variables involving no equilibrium reactions (a kinetic-variable is a linear combination of species). The elimination of equilibrium reactions from reactive transport equations allows robust and efficient numerical integration. The model solves the PDEs of kinetic-variables rather than individual chemical species, which reduces the number of reactive transport equations and simplifies the reaction terms in the equations. A variety of numerical methods are investigated for solving the coupled transport and reaction equations. Simulation comparisons with exact solutions were performed to verify numerical accuracy and assess the effectiveness of various numerical strategies to deal with different application circumstances. Two validation examples involving simulations of uranium transport in soil columns are presented to evaluate the ability of the model to simulate reactive transport with complex reaction networks involving both kinetic and equilibrium reactions.

  1. In vivo transport kinetics and distribution of taurocholate by rat ileum and jejunum

    SciTech Connect

    Lewis, M.C.; Root, C. )

    1990-08-01

    The transport kinetics and distribution of taurocholate (TC) from the ileum and jejunum were evaluated in anesthetized Sprague-Dawley rats. Uptake and transport kinetics were determined after simultaneous administration of equimolar solutions of ({sup 3}H)taurocholic acid (({sup 3}H)TC) in the ileum and (24-{sup 14}C)taurocholic acid (({sup 14}C)TC) in the jejunum of anesthetized rats. At TC concentrations between 0.3 and 15 mM, total ileal absorption exceeded jejunal absorption 15- to 25-fold. The apparent Km and Vmax for ileal absorption of TC were 5.6 mM and 65.5 nmol.min-1.cm-1, respectively. Tissue distribution studies following uptake from the ileum and jejunum were done with {sup 75}Se-labeled homocholic acid taurine ({sup 75}Se-HCAT). In the ileum, 82% of the {sup 75}Se-HCAT removed from the lumen was found in the bile, 10.6% was found in the ileal wall, and 7.3% was found in the liver. In the jejunum, 24.1% was found in bile, 0.6% was found in the liver, and 75.3% remained in the jejunal wall. These data show that the ileum is much more efficient and better equipped than the jejunum to take up and transport TC at concentrations up to 15 mM.

  2. Platelet transport rates and binding kinetics at high shear over a thrombus.

    PubMed

    Bark, David L; Ku, David N

    2013-07-16

    Thrombus formation over a ruptured atherosclerotic plaque cap can occlude an artery with fatal consequences. We describe a computational model of platelet transport and binding to interpret rate-limiting steps seen in experimental thrombus formation over a collagen-coated stenosis. The model is used to compute shear rates in stenoses with growing boundaries. In the model, moving erythrocytes influence platelet transport based on shear-dependent enhanced diffusivity and a nonuniform platelet distribution. Adhesion is modeled as platelet-platelet binding kinetics. The results indicate that observed thrombus growth rates are limited by platelet transport to the wall for shear rates up to 6000 s(-1). Above 7000 s(-1), the thrombus growth rate is likely limited by binding kinetics (10(-4) m/s). Thrombus growth computed from these rate-limiting steps match the thrombus location and occlusion times for experimental conditions if a lag time for platelet activation is included. Using fitted parameters, the model is then used to predict thrombus size and shape at a higher Reynolds number flow consistent with coronary artery disease. PMID:23870271

  3. Platelet Transport Rates and Binding Kinetics at High Shear over a Thrombus

    PubMed Central

    Bark, David L.; Ku, David N.

    2013-01-01

    Thrombus formation over a ruptured atherosclerotic plaque cap can occlude an artery with fatal consequences. We describe a computational model of platelet transport and binding to interpret rate-limiting steps seen in experimental thrombus formation over a collagen-coated stenosis. The model is used to compute shear rates in stenoses with growing boundaries. In the model, moving erythrocytes influence platelet transport based on shear-dependent enhanced diffusivity and a nonuniform platelet distribution. Adhesion is modeled as platelet-platelet binding kinetics. The results indicate that observed thrombus growth rates are limited by platelet transport to the wall for shear rates up to 6000 s−1. Above 7000 s−1, the thrombus growth rate is likely limited by binding kinetics (10−4 m/s). Thrombus growth computed from these rate-limiting steps match the thrombus location and occlusion times for experimental conditions if a lag time for platelet activation is included. Using fitted parameters, the model is then used to predict thrombus size and shape at a higher Reynolds number flow consistent with coronary artery disease. PMID:23870271

  4. Laboratory investigation of the role of desorption kinetics on americium transport associated with bentonite colloids.

    PubMed

    Dittrich, Timothy Mark; Boukhalfa, Hakim; Ware, Stuart Douglas; Reimus, Paul William

    2015-10-01

    Understanding the parameters that control colloid-mediated transport of radionuclides is important for the safe disposal of used nuclear fuel. We report an experimental and reactive transport modeling examination of americium transport in a groundwater-bentonite-fracture fill material system. A series of batch sorption and column transport experiments were conducted to determine the role of desorption kinetics from bentonite colloids in the transport of americium through fracture materials. We used fracture fill material from a shear zone in altered granodiorite collected from the Grimsel Test Site (GTS) in Switzerland and colloidal suspensions generated from FEBEX bentonite, a potential repository backfill material. The colloidal suspension (100 mg L(-1)) was prepared in synthetic groundwater that matched the natural water chemistry at GTS and was spiked with 5.5 × 10(-10) M (241)Am. Batch characterizations indicated that 97% of the americium in the stock suspension was adsorbed to the colloids. Breakthrough experiments conducted by injecting the americium colloidal suspension through three identical columns in series, each with mean residence times of 6 h, show that more than 95% of the bentonite colloids were transported through each of the columns, with modeled colloid filtration rates (k(f)) of 0.01-0.02 h(-1). Am recoveries in each column were 55-60%, and Am desorption rate constants from the colloids, determined from 1-D transport modeling, were 0.96, 0.98, and 0.91 h(-1) in the three columns, respectively. The consistency in Am recoveries and desorption rate constants in each column indicates that the Am was not associated with binding sites of widely-varying strengths on the colloids, as one binding site with fast kinetics represented the system accurately for all three sequential columns. Our data suggest that colloid-mediated transport of Am in a bentonite-fracture fill material system is unlikely to result in transport over long distance scales because

  5. Laboratory investigation of the role of desorption kinetics on americium transport associated with bentonite colloids.

    PubMed

    Dittrich, Timothy Mark; Boukhalfa, Hakim; Ware, Stuart Douglas; Reimus, Paul William

    2015-10-01

    Understanding the parameters that control colloid-mediated transport of radionuclides is important for the safe disposal of used nuclear fuel. We report an experimental and reactive transport modeling examination of americium transport in a groundwater-bentonite-fracture fill material system. A series of batch sorption and column transport experiments were conducted to determine the role of desorption kinetics from bentonite colloids in the transport of americium through fracture materials. We used fracture fill material from a shear zone in altered granodiorite collected from the Grimsel Test Site (GTS) in Switzerland and colloidal suspensions generated from FEBEX bentonite, a potential repository backfill material. The colloidal suspension (100 mg L(-1)) was prepared in synthetic groundwater that matched the natural water chemistry at GTS and was spiked with 5.5 × 10(-10) M (241)Am. Batch characterizations indicated that 97% of the americium in the stock suspension was adsorbed to the colloids. Breakthrough experiments conducted by injecting the americium colloidal suspension through three identical columns in series, each with mean residence times of 6 h, show that more than 95% of the bentonite colloids were transported through each of the columns, with modeled colloid filtration rates (k(f)) of 0.01-0.02 h(-1). Am recoveries in each column were 55-60%, and Am desorption rate constants from the colloids, determined from 1-D transport modeling, were 0.96, 0.98, and 0.91 h(-1) in the three columns, respectively. The consistency in Am recoveries and desorption rate constants in each column indicates that the Am was not associated with binding sites of widely-varying strengths on the colloids, as one binding site with fast kinetics represented the system accurately for all three sequential columns. Our data suggest that colloid-mediated transport of Am in a bentonite-fracture fill material system is unlikely to result in transport over long distance scales because

  6. Laboratory investigation of the role of desorption kinetics on americium transport associated with bentonite colloids

    DOE PAGESBeta

    Dittrich, Timothy Mark; Boukhalfa, Hakim; Ware, Stuart Douglas; Reimus, Paul William

    2015-07-13

    Understanding the parameters that control colloid-mediated transport of radionuclides is important for the safe disposal of used nuclear fuel. We report an experimental and reactive transport modeling examination of americium transport in a groundwater–bentonite–fracture fill material system. A series of batch sorption and column transport experiments were conducted to determine the role of desorption kinetics from bentonite colloids in the transport of americium through fracture materials. We used fracture fill material from a shear zone in altered granodiorite collected from the Grimsel Test Site (GTS) in Switzerland and colloidal suspensions generated from FEBEX bentonite, a potential repository backfill material. Themore » colloidal suspension (100 mg L–1) was prepared in synthetic groundwater that matched the natural water chemistry at GTS and was spiked with 5.5 × 10–10 M241Am. Batch characterizations indicated that 97% of the americium in the stock suspension was adsorbed to the colloids. Breakthrough experiments conducted by injecting the americium colloidal suspension through three identical columns in series, each with mean residence times of 6 h, show that more than 95% of the bentonite colloids were transported through each of the columns, with modeled colloid filtration rates (kf) of 0.01–0.02 h–1. Am recoveries in each column were 55–60%, and Am desorption rate constants from the colloids, determined from 1-D transport modeling, were 0.96, 0.98, and 0.91 h–1 in the three columns, respectively. The consistency in Am recoveries and desorption rate constants in each column indicates that the Am was not associated with binding sites of widely-varying strengths on the colloids, as one binding site with fast kinetics represented the system accurately for all three sequential columns. As a result, our data suggest that colloid-mediated transport of Am in a bentonite-fracture fill material system is unlikely to result in transport over long

  7. Laboratory investigation of the role of desorption kinetics on americium transport associated with bentonite colloids

    SciTech Connect

    Dittrich, Timothy Mark; Boukhalfa, Hakim; Ware, Stuart Douglas; Reimus, Paul William

    2015-07-13

    Understanding the parameters that control colloid-mediated transport of radionuclides is important for the safe disposal of used nuclear fuel. We report an experimental and reactive transport modeling examination of americium transport in a groundwater–bentonite–fracture fill material system. A series of batch sorption and column transport experiments were conducted to determine the role of desorption kinetics from bentonite colloids in the transport of americium through fracture materials. We used fracture fill material from a shear zone in altered granodiorite collected from the Grimsel Test Site (GTS) in Switzerland and colloidal suspensions generated from FEBEX bentonite, a potential repository backfill material. The colloidal suspension (100 mg L–1) was prepared in synthetic groundwater that matched the natural water chemistry at GTS and was spiked with 5.5 × 10–10 M241Am. Batch characterizations indicated that 97% of the americium in the stock suspension was adsorbed to the colloids. Breakthrough experiments conducted by injecting the americium colloidal suspension through three identical columns in series, each with mean residence times of 6 h, show that more than 95% of the bentonite colloids were transported through each of the columns, with modeled colloid filtration rates (kf) of 0.01–0.02 h–1. Am recoveries in each column were 55–60%, and Am desorption rate constants from the colloids, determined from 1-D transport modeling, were 0.96, 0.98, and 0.91 h–1 in the three columns, respectively. The consistency in Am recoveries and desorption rate constants in each column indicates that the Am was not associated with binding sites of widely-varying strengths on the colloids, as one binding site with fast kinetics represented the system accurately for all three sequential columns. As a result, our data suggest that colloid-mediated transport of Am in a bentonite-fracture fill

  8. Mass transfer kinetics during deep fat frying of wheat starch and gluten based snacks

    NASA Astrophysics Data System (ADS)

    Sobukola, O. P.; Bouchon, P.

    2014-06-01

    Mass transfer (moisture loss and oil uptake) kinetics during deep fat frying of wheat starch and gluten based snacks was investigated. Both followed a modified first order reaction. Activation energies, z-value, and highest values of D and k for moisture loss and oil uptake were 28.608 kJ/mol, 129.88 °C, 490 and 0.0080 s-1; and 60.398 kJ/mol, 61.79 °C, 1,354.71 and 0.0052 s-1, respectively.

  9. Opinion dynamics: Kinetic modelling with mass media, application to the Scottish independence referendum

    NASA Astrophysics Data System (ADS)

    Boudin, Laurent; Salvarani, Francesco

    2016-02-01

    We consider a kinetic model describing some mechanisms of opinion formation in the framework of referendums, where the individuals, who can interact between themselves and modify their opinion by means of spontaneous self-thinking, are moreover under the influence of mass media. We study, at the numerical level, both the transient and the asymptotic regimes. In particular, we point out that a plurality of media, with different orientations, is a key ingredient to allow pluralism and prevent consensus. The forecasts of the model are compared to some surveys related to the Scottish independence referendum of 2014.

  10. Chemistry and mass transport of iodine in containment

    SciTech Connect

    Beahm, E.C.; Weber, C.F.; Kress, T.S.; Shockley, W.E.; Daish, S.R.

    1988-01-01

    TRENDS is a computer code for modeling behavior of iodine in containment. It tracks both chemical and physical changes and features such as calculation of radiation dose rates in water pools , radiolysis effects, hydrolysis, and deposition/revaporization on aerosols and structural surfaces. Every attempt has been made to account for all significant processes. Reaction rate constants for iodine hydrolysis and radiolysis were obtained by a variable algorithm that gives values closely modeling experimental data. TRENDS output provides the distribution of iodine in containment and release from containment as a function of time during a severe accident sequence. Initial calculations with TRENDS have shown that the amount of volatile iodine released from containment is sensitive to the value of the liquid-gas (evaporation) mass transport coefficient for I/sub 2/. 7 refs., 4 figs., 3 tabs.

  11. Mass transport measurements and modeling for chemical vapor infiltration

    SciTech Connect

    Starr, T.L.; Chiang, D.Y.; Fiadzo, O.G.; Hablutzel, N.

    1997-12-01

    This project involves experimental and modeling investigation of densification behavior and mass transport in fiber preforms and partially densified composites, and application of these results to chemical vapor infiltration (CVI) process modeling. This supports work on-going at ORNL in process development for fabrication of ceramic matrix composite (CMC) tubes. Tube-shaped composite preforms are fabricated at ORNL with Nextel{trademark} 312 fiber (3M Corporation, St. Paul, MN) by placing and compressing several layers of braided sleeve on a tubular mandrel. In terms of fiber architecture these preforms are significantly different than those made previously with Nicalon{trademark} fiber (Nippon Carbon Corp., Tokyo, Japan) square weave cloth. The authors have made microstructure and permeability measurements on several of these preforms and a few partially densified composites so as to better understand their densification behavior during CVI.

  12. Kinetic electron and ion instability of the lunar wake simulated at physical mass ratio

    SciTech Connect

    Haakonsen, Christian Bernt Hutchinson, Ian H. Zhou, Chuteng

    2015-03-15

    The solar wind wake behind the moon is studied with 1D electrostatic particle-in-cell (PIC) simulations using a physical ion to electron mass ratio (unlike prior investigations); the simulations also apply more generally to supersonic flow of dense magnetized plasma past non-magnetic objects. A hybrid electrostatic Boltzmann electron treatment is first used to investigate the ion stability in the absence of kinetic electron effects, showing that the ions are two-stream unstable for downstream wake distances (in lunar radii) greater than about three times the solar wind Mach number. Simulations with PIC electrons are then used to show that kinetic electron effects can lead to disruption of the ion beams at least three times closer to the moon than in the hybrid simulations. This disruption occurs as the result of a novel wake phenomenon: the non-linear growth of electron holes spawned from a narrow dimple in the electron velocity distribution. Most of the holes arising from the dimple are small and quickly leave the wake, approximately following the unperturbed electron phase-space trajectories, but some holes originating near the center of the wake remain and grow large enough to trigger disruption of the ion beams. Non-linear kinetic-electron effects are therefore essential to a comprehensive understanding of the 1D electrostatic stability of such wakes, and possible observational signatures in ARTEMIS data from the lunar wake are discussed.

  13. Multigrid optimal mass transport for image registration and morphing

    NASA Astrophysics Data System (ADS)

    Rehman, Tauseef ur; Tannenbaum, Allen

    2007-02-01

    In this paper we present a computationally efficient Optimal Mass Transport algorithm. This method is based on the Monge-Kantorovich theory and is used for computing elastic registration and warping maps in image registration and morphing applications. This is a parameter free method which utilizes all of the grayscale data in an image pair in a symmetric fashion. No landmarks need to be specified for correspondence. In our work, we demonstrate significant improvement in computation time when our algorithm is applied as compared to the originally proposed method by Haker et al [1]. The original algorithm was based on a gradient descent method for removing the curl from an initial mass preserving map regarded as 2D vector field. This involves inverting the Laplacian in each iteration which is now computed using full multigrid technique resulting in an improvement in computational time by a factor of two. Greater improvement is achieved by decimating the curl in a multi-resolutional framework. The algorithm was applied to 2D short axis cardiac MRI images and brain MRI images for testing and comparison.

  14. Mass and charge transport in IPMC actuators with fractal interfaces

    NASA Astrophysics Data System (ADS)

    Chang, Longfei; Wu, Yucheng; Zhu, Zicai; Li, Heng

    2016-04-01

    Ionic Polymer-Metal Composite (IPMC) actuators have been attracting a growing interest in extensive applications, which consequently raises the demands on the accuracy of its theoretical modeling. For the last few years, rough landscape of the interface between the electrode and the ionic membrane of IPMC has been well-documented as one of the key elements to ensure a satisfied performance. However, in most of the available work, the interface morphology of IPMC was simplified with structural idealization, which lead to perplexity in the physical interpretation on its interface mechanism. In this paper, the quasi-random rough interface of IPMC was described with fractal dimension and scaling parameters. And the electro-chemical field was modeled by Poisson equation and a properly simplified Nernst-Planck equation set. Then, by simulation with Finite Element Method, a comprehensive analysis on he inner mass and charge transportation in IPMC actuators with different fractal interfaces was provided, which may be further adopted to instruct the performance-oriented interface design for ionic electro-active actuators. The results also verified that rough interface can impact the electrical and mechanical response of IPMC, not only from the respect of the real surface increase, but also from mass distribution difference caused by the complexity of the micro profile.

  15. Dynamic characterization of external and internal mass transport in heterotrophic biofilms from microsensors measurements.

    PubMed

    Guimerà, Xavier; Dorado, Antonio David; Bonsfills, Anna; Gabriel, Gemma; Gabriel, David; Gamisans, Xavier

    2016-10-01

    Knowledge of mass transport mechanisms in biofilm-based technologies such as biofilters is essential to improve bioreactors performance by preventing mass transport limitation. External and internal mass transport in biofilms was characterized in heterotrophic biofilms grown on a flat plate bioreactor. Mass transport resistance through the liquid-biofilm interphase and diffusion within biofilms were quantified by in situ measurements using microsensors with a high spatial resolution (<50 μm). Experimental conditions were selected using a mathematical procedure based on the Fisher Information Matrix to increase the reliability of experimental data and minimize confidence intervals of estimated mass transport coefficients. The sensitivity of external and internal mass transport resistances to flow conditions within the range of typical fluid velocities over biofilms (Reynolds numbers between 0.5 and 7) was assessed. Estimated external mass transfer coefficients at different liquid phase flow velocities showed discrepancies with studies considering laminar conditions in the diffusive boundary layer near the liquid-biofilm interphase. The correlation of effective diffusivity with flow velocities showed that the heterogeneous structure of biofilms defines the transport mechanisms inside biofilms. Internal mass transport was driven by diffusion through cell clusters and aggregates at Re below 2.8. Conversely, mass transport was driven by advection within pores, voids and water channels at Re above 5.6. Between both flow velocities, mass transport occurred by a combination of advection and diffusion. Effective diffusivities estimated at different biofilm densities showed a linear increase of mass transport resistance due to a porosity decrease up to biofilm densities of 50 g VSS·L(-1). Mass transport was strongly limited at higher biofilm densities. Internal mass transport results were used to propose an empirical correlation to assess the effective diffusivity

  16. Dynamic characterization of external and internal mass transport in heterotrophic biofilms from microsensors measurements.

    PubMed

    Guimerà, Xavier; Dorado, Antonio David; Bonsfills, Anna; Gabriel, Gemma; Gabriel, David; Gamisans, Xavier

    2016-10-01

    Knowledge of mass transport mechanisms in biofilm-based technologies such as biofilters is essential to improve bioreactors performance by preventing mass transport limitation. External and internal mass transport in biofilms was characterized in heterotrophic biofilms grown on a flat plate bioreactor. Mass transport resistance through the liquid-biofilm interphase and diffusion within biofilms were quantified by in situ measurements using microsensors with a high spatial resolution (<50 μm). Experimental conditions were selected using a mathematical procedure based on the Fisher Information Matrix to increase the reliability of experimental data and minimize confidence intervals of estimated mass transport coefficients. The sensitivity of external and internal mass transport resistances to flow conditions within the range of typical fluid velocities over biofilms (Reynolds numbers between 0.5 and 7) was assessed. Estimated external mass transfer coefficients at different liquid phase flow velocities showed discrepancies with studies considering laminar conditions in the diffusive boundary layer near the liquid-biofilm interphase. The correlation of effective diffusivity with flow velocities showed that the heterogeneous structure of biofilms defines the transport mechanisms inside biofilms. Internal mass transport was driven by diffusion through cell clusters and aggregates at Re below 2.8. Conversely, mass transport was driven by advection within pores, voids and water channels at Re above 5.6. Between both flow velocities, mass transport occurred by a combination of advection and diffusion. Effective diffusivities estimated at different biofilm densities showed a linear increase of mass transport resistance due to a porosity decrease up to biofilm densities of 50 g VSS·L(-1). Mass transport was strongly limited at higher biofilm densities. Internal mass transport results were used to propose an empirical correlation to assess the effective diffusivity

  17. Simultaneous analysis of the equilibrium hygroscopicity and water transport kinetics of liquid aerosol.

    PubMed

    Davies, James F; Haddrell, Allen E; Rickards, Andrew M J; Reid, Jonathan P

    2013-06-18

    We demonstrate that the equilibrium hygroscopic response of an aerosol droplet and the kinetics of water condensation and evaporation can be retrieved with high accuracy, even close to saturation, through comparative measurements of probe and sample aerosol droplets. The experimental methodology is described and is based on an electrodynamic balance with a newly designed trapping chamber. Through use of a probe aerosol, composed of either pure water or a sodium chloride solution of known concentration, the gas-phase relative humidity (RH) can be accurately measured with an uncertainty of typically <0.005. By fast manipulation of the airflows into the chamber, a step-change in RH over a time scale of <0.5 s can be achieved. Using this approach, the kinetics of mass transfer are studied using the comparative procedure, and results are compared to theoretical mass flux predictions. The time-dependent measured mass fluxes for sodium chloride, ammonium sulfate, sorbitol, and galactose are used to calculate droplet water activities as a function of the droplet growth factor, allowing retrieval of a hygroscopic growth curve in a matter of seconds. Comparisons with both new and established thermodynamic predictions of hygroscopicity, as well as to optical tweezers measurements, are presented, demonstrating good agreement within the experimental uncertainties. PMID:23662676

  18. Mass transport and element mobilisation during large-scale metasomatism

    NASA Astrophysics Data System (ADS)

    Putnis, C. V.; Austrheim, H.; Jamtveit, B.; Engvik, A. K.; Putnis, A.

    2009-04-01

    Replacement textures commonly occur in relation to fluid-driven large scale metasomatism and metamorphism and these processes are often related to mineralisation. For example, the albitisation of gabbroic rocks in the Bamble District, southern Norway is associated with ore deposits. Similar albitised rocks are also characteristic of the Curnamona Province, Australia, which includes large areas of mineralisation such as the Pb, Zn, Ag of the Broken Hill deposits as well as Cu, Au and U deposits. The main question addressed here is the mechanism of mass transport and hence element mobilisation. An indication of the former presence of fluids within a rock can be seen in mineral textures, such as porosity, replacement rims, replacement induced fracturing and crystallographic continuity across sharp compositional boundaries. Such textural observations from natural rocks as well as experimental products show that during mineral-fluid interaction, the crystallographic relations between parent and product phases control the nucleation of the product, and hence a coupling between dissolution and reprecipitation. If the rate of nucleation and growth of the product equals the dissolution rate, a pseudomorphic replacement takes place. The degree of epitaxy (or lattice misfit) at the interface, the relative solubility of parent and product phases and the molar volume changes control the microstructure of the product phase. The key observation is that these factors control the generation of porosity as well as reaction induced fracturing ahead of the main reaction interface. Porosity is generated whenever the amount of parent dissolved is greater than the amount of product reprecipitated, irrespective of the molar volume changes of the solid reactants and products. This porosity is occupied by the fluid phase during the reaction, and provides a mechanism of mass transport and fluid movement between reaction interface and the surrounding phases. The reaction-induced fracturing

  19. Sensitivity of benzene natural attenuation to variations in kinetic and transport parameters in Liwa Aquifer, UAE.

    PubMed

    Mohamed, Mohamed M; Saleh, Nawal E; Sherif, Mohsen M

    2010-04-01

    Dissolved benzene was detected in the shallow unconfined Liwa aquifer (UAE). This aquifer represents the main freshwater source for a nearby residence camp area. A finite element model is used to simulate the fate, transport, and attenuation of the dissolved benzene plume to help decision makers assess natural attenuation as a viable remediation option. Sensitivity of benzene attenuation to uncertainties in the estimation of some of the kinetic and transport parameters is studied. It was found that natural attenuation is more sensitive to microbial growth rate and half saturation coefficients of both benzene and oxygen than initial biomass concentration and dispersivity coefficients. Increasing microbial growth rate by fourfold increased natural attenuation effectiveness after 40 years by 10%; while decreasing it by fourfold decreased natural attenuation effectiveness by 77%. On the other hand, increasing half saturation coefficient by fourfold decreased natural attenuation effectiveness by 46% in 40 years. Decreasing the same parameter fourfold caused natural attenuation effectiveness to increase by 9%.

  20. Microbial synthesis gas utilization and ways to resolve kinetic and mass-transfer limitations.

    PubMed

    Yasin, Muhammad; Jeong, Yeseul; Park, Shinyoung; Jeong, Jiyeong; Lee, Eun Yeol; Lovitt, Robert W; Kim, Byung Hong; Lee, Jinwon; Chang, In Seop

    2015-02-01

    Microbial conversion of syngas to energy-dense biofuels and valuable chemicals is a potential technology for the efficient utilization of fossils (e.g., coal) and renewable resources (e.g., lignocellulosic biomass) in an environmentally friendly manner. However, gas-liquid mass transfer and kinetic limitations are still major constraints that limit the widespread adoption and successful commercialization of the technology. This review paper provides rationales for syngas bioconversion and summarizes the reaction limited conditions along with the possible strategies to overcome these challenges. Mass transfer and economic performances of various reactor configurations are compared, and an ideal case for optimum bioreactor operation is presented. Overall, the challenges with the bioprocessing steps are highlighted, and potential solutions are suggested. Future research directions are provided and a conceptual design for a membrane-based syngas biorefinery is proposed.

  1. Microbial synthesis gas utilization and ways to resolve kinetic and mass-transfer limitations.

    PubMed

    Yasin, Muhammad; Jeong, Yeseul; Park, Shinyoung; Jeong, Jiyeong; Lee, Eun Yeol; Lovitt, Robert W; Kim, Byung Hong; Lee, Jinwon; Chang, In Seop

    2015-02-01

    Microbial conversion of syngas to energy-dense biofuels and valuable chemicals is a potential technology for the efficient utilization of fossils (e.g., coal) and renewable resources (e.g., lignocellulosic biomass) in an environmentally friendly manner. However, gas-liquid mass transfer and kinetic limitations are still major constraints that limit the widespread adoption and successful commercialization of the technology. This review paper provides rationales for syngas bioconversion and summarizes the reaction limited conditions along with the possible strategies to overcome these challenges. Mass transfer and economic performances of various reactor configurations are compared, and an ideal case for optimum bioreactor operation is presented. Overall, the challenges with the bioprocessing steps are highlighted, and potential solutions are suggested. Future research directions are provided and a conceptual design for a membrane-based syngas biorefinery is proposed. PMID:25443672

  2. A combined transport-kinetics model for the growth of renal calculi

    NASA Astrophysics Data System (ADS)

    Kassemi, Mohammad; Brock, Robert; Nemeth, Noel

    2011-10-01

    Renal stone disease is not only a concern on the Earth but could conceivably pose a serious risk to the astronauts' health and safety in Space. In this study, a combined transport-kinetics model for the growth of calcium oxalate (CaOx) crystals is presented. The model is used to parametrically investigate the growth of renal calculi in urine with a focus on the coupled effects of transport and surface reaction on the ionic concentrations at the surface of the crystal and their impact on the resulting growth rates. It is shown that under nominal conditions of low solution supersaturation and low Damköhler number that typically exist on the Earth, the surface concentrations of calcium and oxalate approach their bulk solution values in the urine and the growth rate is most likely limited by the surface reaction kinetics. But for higher solution supersaturations and large Damköhler numbers that may be prevalent in the microgravity environment of Space, the calcium and oxalate surface concentrations tend to shift more towards their equilibrium or saturation values and thus the growth process may be limited by the transport through the medium. Furthermore, it is shown that as the crystal size increases a shift towards a transport-limited growth process is likely. In this situation beyond a critical radius that is a function of the physiochemical parameters of the renal environment, the growth rate will not be independent of the radius as in a reaction-limited situation but will decrease as the crystal size increases.

  3. Mass action realizations of reaction kinetic system models on various time scales

    NASA Astrophysics Data System (ADS)

    Hangos, K. M.; Szederkényi, G.

    2011-01-01

    Complex chemical reaction networks often exhibit different dynamic behaviour on different time scales. A combined approach is proposed in this work for determining physically meaningful mass action realizations of complex chemical reaction networks that describe its dynamic behaviour on different time scales. This is achieved by appropriately reducing the detailed overall mass action kinetic scheme using quasi steady state assumptions fit to the particular time scale, and then searching for an optimal realization using mixed integer linear programing. Furthermore, the relationship between the properties (reversibility, deficiency, stability) of the obtained realizations of the same system on different time scales are also investigated and related to the same properties of the detailed overall model. It is shown that the reduced models obtained by quasi steady state assumptions may show exotic nonlinear behaviour, such as oscillations, when the original detailed is globally asymptotically stable. The proposed methods are illustrated by using a simple Michaelis-Menten type reaction kinetic example. The simplified versions of the well known Brusselator model have also been investigated and presented as a case study.

  4. Towards a unified linear kinetic transport model with the trace ion module for EIRENE

    PubMed Central

    Seebacher, J.; Kendl, A.

    2012-01-01

    Linear kinetic Monte Carlo particle transport models are frequently employed in fusion plasma simulations to quantify atomic and surface effects on the main plasma flow dynamics. Separate codes are used for transport of neutral particles (incl. radiation) and charged particles (trace impurity ions). Integration of both modules into main plasma fluid solvers provides then self-consistent solutions, in principle. The required interfaces are far from trivial, because rapid atomic processes in particular in the edge region of fusion plasmas require either smoothing and resampling, or frequent transfer of particles from one into the other Monte Carlo code. We propose a different scheme here, in which despite the inherently different mathematical form of kinetic equations for ions and neutrals (e.g. Fokker–Planck vs. Boltzmann collision integrals) both types of particle orbits can be integrated into one single code. We show that the approximations and shortcomings of this “single sourcing” concept (e.g., restriction to explicit ion drift orbit integration) can be fully tolerable in a wide range of typical fusion edge plasma conditions, and be overcompensated by the code-system simplicity, as well as by inherently ensured consistency in geometry (one single numerical grid only) and (the common) atomic and surface process modules. PMID:22474397

  5. Study of electron transport in a Hall thruster by axial–radial fully kinetic particle simulation

    SciTech Connect

    Cho, Shinatora Kubota, Kenichi; Funaki, Ikkoh; Watanabe, Hiroki; Iihara, Shigeyasu; Fuchigami, Kenji; Uematsu, Kazuo

    2015-10-15

    Electron transport across a magnetic field in a magnetic-layer-type Hall thruster was numerically investigated for the future predictive modeling of Hall thrusters. The discharge of a 1-kW-class magnetic-layer-type Hall thruster designed for high-specific-impulse operation was modeled using an r-z two-dimensional fully kinetic particle code with and without artificial electron-diffusion models. The thruster performance results showed that both electron transport models captured the experimental result within discrepancies less than 20% in thrust and discharge current for all the simulated operation conditions. The electron cross-field transport mechanism of the so-called anomalous diffusion was self-consistently observed in the simulation without artificial diffusion models; the effective electron mobility was two orders of magnitude higher than the value obtained using the classical diffusion theory. To account for the self-consistently observed anomalous transport, the oscillation of plasma properties was speculated. It was suggested that the enhanced random-walk diffusion due to the velocity oscillation of low-frequency electron flow could explain the observed anomalous diffusion within an order of magnitude. The dominant oscillation mode of the electron flow velocity was found to be 20 kHz, which was coupled to electrostatic oscillation excited by global ionization instability.

  6. Angular momentum transport and particle acceleration during magnetorotational instability in a kinetic accretion disk.

    PubMed

    Hoshino, Masahiro

    2015-02-13

    Angular momentum transport and particle acceleration during the magnetorotational instability (MRI) in a collisionless accretion disk are investigated using three-dimensional particle-in-cell simulation. We show that the kinetic MRI can provide not only high-energy particle acceleration but also enhancement of angular momentum transport. We find that the plasma pressure anisotropy inside the channel flow with p(∥)>p(⊥) induced by active magnetic reconnection suppresses the onset of subsequent reconnection, which, in turn, leads to high-magnetic-field saturation and enhancement of the Maxwell stress tensor of angular momentum transport. Meanwhile, during the quiescent stage of reconnection, the plasma isotropization progresses in the channel flow and the anisotropic plasma with p(⊥)>p(∥) due to the dynamo action of MRI outside the channel flow contribute to rapid reconnection and strong particle acceleration. This efficient particle acceleration and enhanced angular momentum transport in a collisionless accretion disk may explain the origin of high-energy particles observed around massive black holes.

  7. Angular momentum transport and particle acceleration during magnetorotational instability in a kinetic accretion disk.

    PubMed

    Hoshino, Masahiro

    2015-02-13

    Angular momentum transport and particle acceleration during the magnetorotational instability (MRI) in a collisionless accretion disk are investigated using three-dimensional particle-in-cell simulation. We show that the kinetic MRI can provide not only high-energy particle acceleration but also enhancement of angular momentum transport. We find that the plasma pressure anisotropy inside the channel flow with p(∥)>p(⊥) induced by active magnetic reconnection suppresses the onset of subsequent reconnection, which, in turn, leads to high-magnetic-field saturation and enhancement of the Maxwell stress tensor of angular momentum transport. Meanwhile, during the quiescent stage of reconnection, the plasma isotropization progresses in the channel flow and the anisotropic plasma with p(⊥)>p(∥) due to the dynamo action of MRI outside the channel flow contribute to rapid reconnection and strong particle acceleration. This efficient particle acceleration and enhanced angular momentum transport in a collisionless accretion disk may explain the origin of high-energy particles observed around massive black holes. PMID:25723200

  8. A Mercury Transport and Fate Model for Mass Budget Assessment of Mercury Cycling in Lake Michigan

    EPA Science Inventory

    A mercury mass balance model was developed to describe and evaluate the fate, transport, and biogeochemical transformations of mercury in Lake Michigan. Coupling with total suspendable solids (TSS) and dissolved organic carbon (DOC), the mercury transport and fate model simulates...

  9. Mass transport, faceting and behavior of dislocations in GaN

    SciTech Connect

    Nitta, S.; Kashima, T.; Kariya, M.; Yukawa, Y.; Yamaguchi, S.; Amano, H.; Akasaki, I.

    2000-07-01

    The behavior of threading dislocations during mass transport of GaN was investigated in detail by transmission electron microscopy. Mass transport occurred at the surface. Therefore, growing species are supplied from the in-plane direction. The behavior of threading dislocations was found to be strongly affected by the mass transport process as well as the high crystallographic anisotropy of the surface energy of the facets particular to GaN.

  10. The latent fingerprint in mass transport of polycrystalline materials

    NASA Astrophysics Data System (ADS)

    Thirunavukarasu, Gopinath; Kundu, Sukumar; Chatterjee, Subrata

    2016-02-01

    Herein, a systematic investigation was carried out to reach a rational understanding and to provide information concerning the possible causes for a significant influence of pressure variation in the underlying processes of mass transport in polycrystalline materials. The authors focused their research in solid-state diffusion, a part of the subject "Mass Transport in Solids". Theories on diffusion are the subject by itself which exists as a latent fingerprint in every text of higher learning in interdisciplinary science. In this research, authors prepared sandwich samples of titanium alloy and stainless steel using nickel as an intermediate metal. The samples were processed at three different levels of bonding pressure (3, 4 and 5 MPa) while bonding temperature and bonding time was maintained at 750 °C and 1 h, respectively, throughout the experiments. It was observed that the net flux of atomic diffusion of nickel atoms into Ti-alloy at TiA/Ni interface increased by ~63 % with the rise in the bonding pressure from 3 to 4 MPa, but decreased by ~40 % with the rise in the bonding pressure from 4 to 5 MPa. At the same time, the net flux of atomic diffusion of nickel atoms into stainless steel at Ni/SS interface increased by ~19 % with the rise in the bonding pressure from 3 to 4 MPa, but increased by ~17 % with the rise in the bonding pressure from 4 to 5 MPa. Here authors showed that the pressure variations have different effects at the TiA/Ni interface and Ni/SS interface, and tried to explain the explicit mechanisms operating behind them. In general for sandwich samples processed irrespective of bonding pressure chosen, the net flux of Ni-atoms diffused into SS is greater than that of the net flux of Ni-atoms diffused in Ti-alloy matrix by four orders of magnitude. The calculated diffusivity of Ni-atoms into Ti-alloy reaches its highest value of ~5.083 × 10-19 m2/s for the sandwich sample processed using 4-MPa bonding-pressure, whereas the diffusivity of Ni

  11. Conception for enhanced mass transport in binary nanofluids

    NASA Astrophysics Data System (ADS)

    Xuan, Yimin

    2009-12-01

    Besides their application in enhancing heat transfer, suspended nanoparticles have been found to improve mass transfer process inside binary nanofluids. The concepts of enhanced mass transfer in binary nanofluids are involved. By means of the heat and mass transfer analogy, the approaches for determining the mass diffusivity and mass transfer coefficient are proposed and discussed.

  12. Analysis of the apparent biphasic axonal transport kinetics of fucosylated glycoproteins

    SciTech Connect

    Goodrum, J.F.; Morell, P.

    1984-07-01

    Following intraocular injection of (/sup 3/H)fucose, the accumulation of transported radioactivity arriving at the superior colliculus peaks within a few hours and decays with a time course of hours. Then, over a period of several days, radioactivity again accumulates at the superior colliculus and then decays with a half-life of days. Such data have been interpreted as evidence for both a group of rapidly released, rapidly transported glycoproteins (first peak) and a group of slowly released but rapidly transported glycoproteins (second peak). This supposition was investigated by studying in more detail the metabolism of some individual fucosylated proteins in both the retina and superior colliculus. It was noted that much of the radioactivity incorporated in fucosylated glycoproteins at the retina was rapidly metabolized, while the remainder of the fucosylated moieties had a metabolic half-life on the order of days. In other experiments (/sup 35/S)methionine was injected intraocularly, the metabolism in the retina was examined and a study was made of the kinetics of transport to the superior colliculus of the peptide backbone of these same individual proteins. In contrast to the two waves of accumulation of radioactivity from (/sup 3/H)fucose, accumulation of radioactivity of the peptide backbone of the same glycoproteins was monophasic. The author's explanation of these data involves the presence of two types of fucose moieties on the peptides. One group of fucose moieties is labile and is lost from the peptide backbone over a period of hours. Other fucose moieties are approximately as metabolically stable as the peptide backbones to which they are attached. The actual peptide backbones of the glycoproteins are committed to rapid transport over a period of several days.

  13. Kinetics and microtextures formation during serpentinization: role of grain scale processes and transport

    NASA Astrophysics Data System (ADS)

    malvoisin, B.; Brunet, F.; Carlut, J. H.

    2013-12-01

    Serpentinization of mantle rocks plays a key role on the physical properties of the lithosphere at mid-ocean ridges and in subduction zones. This reaction is controlled by processes occurring at scales ranging from the grain to the lithosphere but the relative importance of these processes on the kinetics and microtextures formation has not been investigated. First, hydrothermal experiments on powders of San Carlos olivine at 500 bars in the 250 - 350 °C range were monitored with a magnetic method to study the kinetics and processes of the reaction at the grain scale. For an initial grain size (IGS) > 5 μm, lizardite, brucite, magnetite and hydrogen formed at a rate one to two orders of magnitude slower than the kinetics used to model serpentinization-related processes. Moreover, the serpentinization rate decreased linearly with the square of the IGS and reaction progress vs. time curves displayed a sigmoid form. The kinetics were controlled by the dissolution of olivine increasing with its reactive surface area which was generated with two cooperating processes (etch pits and grain fracturing) during the first stages of the reaction. Then, hydrothermal experiments were conducted on sintered San Carlos olivine to investigate the role of transport on the reaction. On sintered with a grain size of 1 to 5 μm, low reaction progresses of ~ 3 % in 10 months were obtained and the rate of serpentinization was one order of magnitude slower than on powders and one order of magnitude faster than on a single grain of the size of the sintered. Kinetics were controlled by a coupling between the reaction rate at the grain scale and the rate of fluid pathways formation at grain boundaries. Lizardite precipitated where olivine dissolved whereas magnetite and brucite segregated at the surface of the sintered. These results are in agreement with the observation of magnetite formation and segregation in fractures in naturally serpentinized peridotites and could explain the sparse

  14. Convective kinetic energy equation under the mass-flux subgrid-scale parameterization

    NASA Astrophysics Data System (ADS)

    Yano, Jun-Ichi

    2015-03-01

    The present paper originally derives the convective kinetic energy equation under mass-flux subgrid-scale parameterization in a formal manner based on the segmentally-constant approximation (SCA). Though this equation is long since presented by Arakawa and Schubert (1974), a formal derivation is not known in the literature. The derivation of this formulation is of increasing interests in recent years due to the fact that it can explain basic aspects of the convective dynamics such as discharge-recharge and transition from shallow to deep convection. The derivation is presented in two manners: (i) for the case that only the vertical component of the velocity is considered and (ii) the case that both the horizontal and vertical components are considered. The equation reduces to the same form as originally presented by Arakwa and Schubert in both cases, but with the energy dissipation term defined differently. In both cases, nevertheless, the energy "dissipation" (loss) term consists of the three principal contributions: (i) entrainment-detrainment, (ii) outflow from top of convection, and (iii) pressure effects. Additionally, inflow from the bottom of convection contributing to a growth of convection is also formally counted as a part of the dissipation term. The eddy dissipation is also included for a completeness. The order-of-magnitude analysis shows that the convective kinetic energy "dissipation" is dominated by the pressure effects, and it may be approximately described by Rayleigh damping with a constant time scale of the order of 102-103 s. The conclusion is also supported by a supplementary analysis of a cloud-resolving model (CRM) simulation. The Appendix discusses how the loss term ("dissipation") of the convective kinetic energy is qualitatively different from the conventional eddy-dissipation process found in turbulent flows.

  15. Conditions for critical effects in the mass action kinetics equations for water radiolysis

    SciTech Connect

    Wittman, Richard S.; Buck, Edgar C.; Mausolf, Edward J.; McNamara, Bruce K.; Smith, Frances N.; Soderquist, Chuck Z.

    2014-12-26

    We report on a subtle global feature of the mass action kinetics equations for water radiolysis that results in predictions of a critical behavior in H2O2 and associated radical concentrations. While radiolysis kinetics has been studied extensively in the past, it is only in recent years that high speed computing has allowed the rapid exploration of the solution over widely varying dose and compositional conditions. We explore the radiolytic production of H2O2 under various externally fixed conditions of molecular H2 and O2 that have been regarded as problematic in the literature – specifically, “jumps” in predicted concentrations, and inconsistencies between predictions and experiments have been reported for alpha radiolysis. We computationally map-out a critical concentration behavior for alpha radiolysis kinetics using a comprehensive set of reactions. We then show that all features of interest are accurately reproduced with 15 reactions. An analytical solution for steady-state concentrations of the 15 reactions reveals regions in [H2] and [O2] where the H2O2 concentration is not unique – both stable and unstable concentrations exist. The boundary of this region can be characterized analytically as a function of G-values and rate constants independent of dose rate. Physically, the boundary can be understood as separating a region where a steady-state H2O2 concentration exists, from one where it does not exist without a direct decomposition reaction. We show that this behavior is consistent with reported alpha radiolysis data and that no such behavior should occur for gamma radiolysis. We suggest experiments that could verify or discredit a critical concentration behavior for alpha radiolysis and could place more restrictive ranges on G-values from derived relationships between them.

  16. Conditions for critical effects in the mass action kinetics equations for water radiolysis

    SciTech Connect

    Wittman, Richard S.; Buck, Edgar C.; Mausolf, Edward J.; McNamara, Bruce K.; Smith, Frances N.; Soderquist, Chuck Z.

    2014-11-25

    We report on a subtle global feature of the mass action kinetics equations for water radiolysis that results in predictions of a critical behavior in H2O2 and associated radical concentrations. While radiolysis kinetics has been studied extensively in the past, it is only in recent years that high speed computing has allowed the rapid exploration of the solution over widely varying dose and compositional conditions. We explore the radiolytic production of H2O2 under various externally fixed conditions of molecular H2 and O2 that have been regarded as problematic in the literature – specifically, “jumps” in predicted concentrations, and inconsistencies between predictions and experiments have been reported for alpha radiolysis. We computationally map-out a critical concentration behavior for alpha radiolysis kinetics using a comprehensive set of reactions. We then show that all features of interest are accurately reproduced with 15 reactions. An analytical solution for steady-state concentrations of the 15 reactions reveals regions in [H2] and [O2] where the H2O2 concentration is not unique – both stable and unstable concentrations exist. The boundary of this region can be characterized analytically as a function of G-values and rate constants independent of dose rate. Physically, the boundary can be understood as separating a region where a steady-state H2O2 concentration exists, from one where it does not exist without a direct decomposition reaction. We show that this behavior is consistent with reported alpha radiolysis data and that no such behavior should occur for gamma radiolysis. We suggest experiments that could verify or discredit a critical concentration behavior for alpha radiolysis and could place more restrictive ranges on G-values from derived relationships between them.

  17. Transport coefficients of Quark-Gluon Plasma in a Kinetic Theory approach

    NASA Astrophysics Data System (ADS)

    Puglisi, A.; Plumari, S.; Scardina, F.; Greco, V.

    2014-07-01

    One of the main results of heavy ions collision at relativistic energy experiments is the very small shear viscosity to entropy density ratio of the Quark-Gluon Plasma, close to the conjectured lower bound η/s = 1/4π for systems in the infinite coupling limit. Transport coefficients like shear viscosity are responsible of non-equilibrium properties of a system: Green- Kubo relations give us an exact expression to compute these coefficients. We computed shear viscosity numerically using Green-Kubo relation in the framework of Kinetic Theory solving the relativistic transport Boltzmann equation in a finite box with periodic boundary conditions. We investigated different cases of particles, for one component system (gluon matter), interacting via isotropic or anisotropic cross-section in the range of temperature of interest for HIC. Green-Kubo results are in agreement with Chapman-Enskog approximation while Relaxation Time approximation can underestimates the viscosity of a factor 2. Another transport coefficient of interest is the electric conductivity σel which determines the response of QGP to the electromagnetic fields present in the early stage of the collision. We study the σel dependence on microscopic details of interaction and we find also in this case that Relaxation Time Approximation is a good approximation only for isotropic cross-section.

  18. (abstract) Fundamental Mechanisms of Electrode Kinetics and Alkali Metal Atom Transport at the Alkali Beta'-Alumina/Porous Electrode/Alkali Metal Vapor Three Phase Boundary

    NASA Technical Reports Server (NTRS)

    Williams, R. M.; Jeffries-Nakamura, B.; Ryan, M. A.; Underwood, M. L.; O'Connor, D.; Kisor, A.; Kikkert, S. K.

    1993-01-01

    The mechanisms of electrode kinetics and mass transport of alkali metal oxidation and alkali metal cation reduction at the solid electrolyte/porous electrode boundary as well as alkali metal transport through porous metal electrodes has important applications in optimizing device performance in alkali metal thermal to electric converter (AMTEC) cells which are high temperature, high current density electrochemical cells. Basic studies of these processes also affords the opportunity to investigate a very basic electrochemical reaction over a wide range of conditions; and a variety of mass transport modes at high temperatures via electrochemical techniques. The temperature range of these investigations covers 700K to 1240K; the alkali metal vapor pressures range from about 10(sup -2) to 10(sup 2) Pa; and electrodes studied have included Mo, W, Mo/Na(sub 2)MoO(sub 4), W/Na(sub 2)WO(sub 4), WPt(sub x), and WRh(sub x) (1.0 < x < 6.0 ) with Na at Na-beta'-alumina, and Mo with K at K-beta'-alumina. Both liquid metal/solid electrolyte/alkali metal vapor and alkali metal vapor/solid electrolyte/vapor cells have been used to characterize the reaction and transport processes. We have previously reported evidence of ionic, free molecular flow, and surface transport of sodium in several types of AMTEC electrodes.

  19. Sugarcane bagasse pretreatment using three imidazolium-based ionic liquids; mass balances and enzyme kinetics

    PubMed Central

    2012-01-01

    Background Effective pretreatment is key to achieving high enzymatic saccharification efficiency in processing lignocellulosic biomass to fermentable sugars, biofuels and value-added products. Ionic liquids (ILs), still relatively new class of solvents, are attractive for biomass pretreatment because some demonstrate the rare ability to dissolve all components of lignocellulosic biomass including highly ordered (crystalline) cellulose. In the present study, three ILs, 1-butyl-3-methylimidazolium chloride ([C4mim]Cl), 1-ethyl-3-methylimidazolium chloride ([C2mim]Cl), 1-ethyl-3-methylimidazolium acetate ([C2mim]OAc) are used to dissolve/pretreat and fractionate sugarcane bagasse. In these IL-based pretreatments the biomass is completely or partially dissolved in ILs at temperatures greater than 130°C and then precipitated by the addition of an antisolvent to the IL biomass mixture. For the first time mass balances of IL-based pretreatments are reported. Such mass balances, along with kinetics data, can be used in process modelling and design. Results Lignin removals of 10% mass of lignin in bagasse with [C4mim]Cl, 50% mass with [C2mim]Cl and 60% mass with [C2mim]OAc, are achieved by limiting the amount of water added as antisolvent to 0.5 water:IL mass ratio thus minimising lignin precipitation. Enzyme saccharification (24 h, 15FPU) yields (% cellulose mass in starting bagasse) from the recovered solids rank as: [C2mim]OAc(83%) > >[C2mim]Cl(53%) = [C4mim]Cl(53%). Composition of [C2mim]OAc-treated solids such as low lignin, low acetyl group content and preservation of arabinosyl groups are characteristic of aqueous alkali pretreatments while those of chloride IL-treated solids resemble aqueous acid pretreatments. All ILs are fully recovered after use (100% mass as determined by ion chromatography). Conclusions In all three ILs regulated addition of water as an antisolvent effected a polysaccharide enriched precipitate since some of the lignin remained dissolved

  20. Measuring kinetic isotope effects in enzyme reactions using time-resolved electrospray mass spectrometry.

    PubMed

    Liuni, Peter; Olkhov-Mitsel, Ekaterina; Orellana, Arturo; Wilson, Derek J

    2013-04-01

    Kinetic isotope effect (KIE) measurements are a powerful tool for studying enzyme mechanisms; they can provide insights into microscopic catalytic processes and even structural constraints for transition states. However, KIEs have not come into widespread use in enzymology, due in large part to the requirement for prohibitively cumbersome experimental procedures and daunting analytical frameworks. In this work, we introduce time-resolved electrospray ionization mass spectrometry (TRESI-MS) as a straightforward, precise, and inexpensive method for measuring KIEs. Neither radioisotopes nor large amounts of material are needed and kinetic measurements for isotopically "labeled" and "unlabeled" species are acquired simultaneously in a single "competitive" assay. The approach is demonstrated first using a relatively large isotope effect associated with yeast alcohol dehydrogenase (YADH) catalyzed oxidation of ethanol. The measured macroscopic KIE of 2.19 ± 0.05 is consistent with comparable measurements in the literature but cannot be interpreted in a way that provides insights into isotope effects in individual microscopic steps. To demonstrate the ability of TRESI-MS to directly measure intrinsic KIEs and to characterize the precision of the technique, we measure a much smaller (12)C/(13)C KIE associated specifically with presteady state acylation of chymotrypsin during hydrolysis of an ester substrate.

  1. A quantitative multiplexed mass spectrometry assay for studying the kinetic of residue-specific histone acetylation.

    PubMed

    Kuo, Yin-Ming; Henry, Ryan A; Andrews, Andrew J

    2014-12-01

    Histone acetylation is involved in gene regulation and, most importantly, aberrant regulation of histone acetylation is correlated with major human diseases. Although many lysine acetyltransferases (KATs) have been characterized as being capable of acetylating multiple lysine residues on histones, how different factors such as enzyme complexes or external stimuli (e.g. KAT activators or inhibitors) alter KAT specificity remains elusive. In order to comprehensively understand how the homeostasis of histone acetylation is maintained, a method that can quantitate acetylation levels of individual lysines on histones is needed. Here we demonstrate that our mass spectrometry (MS)-based method accomplishes this goal. In addition, the high throughput, high sensitivity, and high dynamic range of this method allows for effectively and accurately studying steady-state kinetics. Based on the kinetic parameters from in vitro enzymatic assays, we can determine the specificity and selectivity of a KAT and use this information to understand what factors influence histone acetylation. These approaches can be used to study the enzymatic mechanisms of histone acetylation as well as be adapted to other histone modifications. Understanding the post-translational modification of individual residues within the histones will provide a better picture of chromatin regulation in the cell.

  2. Kinetics of rouleau formation. I. A mass action approach with geometric features.

    PubMed Central

    Samsel, R W; Perelson, A S

    1982-01-01

    In the presence of certain macromolecules, such as fibrinogen, immunoglobulin, dextran, and polylysine, erythrocytes tend to aggregate and form cylindrical clusters called "rouleaux" in which cells resemble coins in a stack. The aggregates may remain cylindrical or they may branch, forming tree, and networklike structures. Using the law of mass action and notions from polymer chemistry, we derive expressions describing the kinetics of the early phase of aggregation. Our models generalize work initiated by Ponder in 1927 who used the Smoluchowski equation to predict the concentration of rouleaux of different sizes. There are two novel features to our generalization. First, we allow erythrocytes that collide near the end of a stack of cells to move to the end of the cylinder and elongate it. Second, we incorporate geometric information into our models and describe the kinetics of branched rouleau formation. From our models we can predict the concentration of rouleaux with n cells and b branches, the mean number of cells per rouleau, the mean number of branches per rouleau, and the average length of a branch. Comparisons are made with the available experimental data. Images FIGURE 4 FIGURE 1 FIGURE 9 PMID:7059652

  3. Theoretical monochromatic-wave-induced currents in intermediate water with viscosity and nonzero mass transport

    NASA Technical Reports Server (NTRS)

    Talay, T. A.

    1975-01-01

    Wave-induced mass-transport current theories with both zero and nonzero net mass (or volume) transport of the water column are reviewed. A relationship based on the Longuet-Higgens theory is derived for wave-induced, nonzero mass-transport currents in intermediate water depths for a viscous fluid. The relationship is in a form useful for experimental applications; therefore, some design criteria for experimental wave-tank tests are also presented. Sample parametric cases for typical wave-tank conditions and a typical ocean swell were assessed by using the relation in conjunction with an equation developed by Unluata and Mei for the maximum wave-induced volume transport. Calculations indicate that substantial changes in the wave-induced mass-transport current profiles may exist dependent upon the assumed net volume transport. A maximum volume transport, corresponding to an infinite channel or idealized ocean condition, produces the largest wave-induced mass-transport currents. These calculations suggest that wave-induced mass-transport currents may have considerable effects on pollution and suspended-sediments transport as well as buoy drift, the surface and midlayer water-column currents caused by waves increasing with increasing net volume transports. Some of these effects are discussed.

  4. Effects of Convective Transport of Solute and Impurities on Defect-Causing Kinetics Instabilities in Protein Crystallization

    NASA Technical Reports Server (NTRS)

    Vekilov, Peter G.

    2002-01-01

    The objective of the proposed research is to obtain further insight into the onset and development of the defect-causing instabilities that anise due to the coupling of the bulk transport and nonlinear-interfacial kinetics during growth in the mixed regime, utilizing the reduction of the convective contribution to the bulk transport under microgravity. These studies will build upon the data on the effects of quantitative variations of the forced convection velocity on the averaged and time-dependent kinetic behavior of protein crystal growth systems that have recently been obtained in our laboratory.

  5. Effects of Temperature Control Algorithms on Transport Properties and Kinetics in Molecular Dynamics Simulations.

    PubMed

    Basconi, Joseph E; Shirts, Michael R

    2013-07-01

    Temperature control algorithms in molecular dynamics (MD) simulations are necessary to study isothermal systems. However, these thermostatting algorithms alter the velocities of the particles and thus modify the dynamics of the system with respect to the microcanonical ensemble, which could potentially lead to thermostat-dependent dynamical artifacts. In this study, we investigate how six well-established thermostat algorithms applied with different coupling strengths and to different degrees of freedom affect the dynamics of various molecular systems. We consider dynamic processes occurring on different times scales by measuring translational and rotational self-diffusion as well as the shear viscosity of water, diffusion of a small molecule solvated in water, and diffusion and the dynamic structure factor of a polymer chain in water. All of these properties are significantly dampened by thermostat algorithms which randomize particle velocities, such as the Andersen thermostat and Langevin dynamics, when strong coupling is used. For the solvated small molecule and polymer, these dampening effects are reduced somewhat if the thermostats are applied to the solvent alone, such that the solute's temperature is maintained only through thermal contact with solvent particles. Algorithms which operate by scaling the velocities, such as the Berendsen thermostat, the stochastic velocity rescaling approach of Bussi and co-workers, and the Nosé-Hoover thermostat, yield transport properties that are statistically indistinguishable from those of the microcanonical ensemble, provided they are applied globally, i.e. coupled to the system's kinetic energy. When coupled to local kinetic energies, a velocity scaling thermostat can have dampening effects comparable to a velocity randomizing method, as we observe when a massive Nose-Hoover coupling scheme is used to simulate water. Correct dynamical properties, at least those studied in this paper, are obtained with the Berendsen

  6. Massively parallel kinetic Monte Carlo simulations of charge carrier transport in organic semiconductors

    NASA Astrophysics Data System (ADS)

    van der Kaap, N. J.; Koster, L. J. A.

    2016-02-01

    A parallel, lattice based Kinetic Monte Carlo simulation is developed that runs on a GPGPU board and includes Coulomb like particle-particle interactions. The performance of this computationally expensive problem is improved by modifying the interaction potential due to nearby particle moves, instead of fully recalculating it. This modification is achieved by adding dipole correction terms that represent the particle move. Exact evaluation of these terms is guaranteed by representing all interactions as 32-bit floating numbers, where only the integers between -222 and 222 are used. We validate our method by modelling the charge transport in disordered organic semiconductors, including Coulomb interactions between charges. Performance is mainly governed by the particle density in the simulation volume, and improves for increasing densities. Our method allows calculations on large volumes including particle-particle interactions, which is important in the field of organic semiconductors.

  7. Theory for the anomalous electron transport in Hall effect thrusters. II. Kinetic model

    NASA Astrophysics Data System (ADS)

    Lafleur, T.; Baalrud, S. D.; Chabert, P.

    2016-05-01

    In Paper I [T. Lafleur et al., Phys. Plasmas 23, 053502 (2016)], we demonstrated (using particle-in-cell simulations) the definite correlation between an anomalously high cross-field electron transport in Hall effect thrusters (HETs), and the presence of azimuthal electrostatic instabilities leading to enhanced electron scattering. Here, we present a kinetic theory that predicts the enhanced scattering rate and provides an electron cross-field mobility that is in good agreement with experiment. The large azimuthal electron drift velocity in HETs drives a strong instability that quickly saturates due to a combination of ion-wave trapping and wave-convection, leading to an enhanced mobility many orders of magnitude larger than that expected from classical diffusion theory. In addition to the magnetic field strength, B0, this enhanced mobility is a strong function of the plasma properties (such as the plasma density) and therefore does not, in general, follow simple 1 /B02 or 1 /B0 scaling laws.

  8. Phosphate-limited continuous culture of Rhodotorula rubra: kinetics of transport, leakage, and growth.

    PubMed Central

    Robertson, B R; Button, D K

    1979-01-01

    The phosphate-limited growth kinetics of Rhodotorula rubra, a small yeast of marine origin, were examined by analysis of 32P distributions in continuous cultures. Isotope relaxation procedures were used to identify unidirectional flows of Pi and organic phosphate among compartments modeled during growth. The concentrations of phosphates in these compartments at various growth rates were used, together with attendant flows, to produce a mathematical model of growth. Both Pi and phosphate-containing metabolic intermediates leaked from cells during growth. Total leakage ranged from 4 to 10% of influx and was comprised mostly of Pi. Transport capacity was at least 10 times that required for growth at saturating Pi concentrations, so that influx was linear with concentration during growth. This led to the realization that the curvature of Monod plots (Kmu = 12 nM mumax = 0.18/h, and the threshold At = 2.5 nM) is due to change in yield with growth rate. Growth rate related to Pi by the affinity, aA (= 0.43 liter/mg of cells.h) of cells for Pi and the growth rate-dependent yield. It was also specified by a series of kinetic constants that specified flow among the various compartments and equilibrium compartment concentrations as they were set by extracellular Pi. The importance of leakage by healthy cells to the organic chemistry of aquatic systems is noted. PMID:37231

  9. Lactate kinetics of rainbow trout during graded exercise: do catheters affect the cost of transport?

    PubMed

    Teulier, Loïc; Omlin, Teye; Weber, Jean-Michel

    2013-12-15

    Changes in lactate kinetics as a function of exercise intensity have never been measured in an ectotherm. Continuous infusion of a tracer is necessary to quantify rates of lactate appearance (Ra) and disposal (Rd), but it requires double catheterization, which could interfere with swimming. Using rainbow trout, our goals were to: (1) determine the potential effects of catheters and blood sampling on metabolic rate (O2), total cost of transport (TCOT), net cost of transport (NCOT) and critical swimming speed (Ucrit), and (2) monitor changes in lactate fluxes during prolonged, steady-state swimming or graded swimming from rest to Ucrit. This athletic species maintains high baseline lactate fluxes of 24 μmol kg(-1) min(-1) that are only increased at intensities >2.4 body lengths (BL) s(-1) or 85% Ucrit. As the fish reaches Ucrit, Ra is more strongly stimulated (+67% to 40.4 μmol kg(-1) min(-1)) than Rd (+41% to 34.7 μmol kg(-1) min(-1)), causing a fourfold increase in blood lactate concentration. Without this stimulation of Rd during intense swimming, lactate accumulation would double. By contrast, steady-state exercise at 1.7 BL s(-1) increases lactate fluxes to ~30 μmol kg(-1) min(-1), with a trivial mismatch between Ra and Rd that only affects blood concentration minimally. Results also show that the catheterizations and blood sampling needed to measure metabolite kinetics in exercising fish have no significant impact on O2 or TCOT. However, these experimental procedures affect locomotion energetics by increasing NCOT at high speeds and by decreasing Ucrit.

  10. Kinetics of D-glucose and L-leucine transport into sheep and pig intestinal brush border membrane vesicles.

    PubMed

    Wolffram, S; Eggenberger, E; Scharrer, E

    1986-01-01

    The kinetic parameters (Vmax, Kt) of Na+-dependent D-glucose transport into brush border membrane vesicles (BBMV) from sheep and pig jejunum were determined. Due to the fermentation of ingested carbohydrates in the rumen the small intestine of ruminants (sheep) has to absorb much less glucose than the small intestine of monogastric omnivores (pigs) or herbivores. Kinetic analysis of the concentration dependence of D-glucose transport revealed a ten-fold smaller Vmax value combined with a five times lower Kt value in sheep BBMV compared with pig BBMV. The Vmax value for L-leucine transport did not differ between the two species investigated, whereas the Kt value in the sheep exceeded that in the pig. It is concluded from these results that the mechanism for Na+-dependent D-glucose transport in ruminants is adapted to the small amounts of carbohydrates reaching the small intestine.

  11. HYDROBIOGEOCHEM: A coupled model of HYDROlogic transport and mixed BIOGEOCHEMical kinetic/equilibrium reactions in saturated-unsaturated media

    SciTech Connect

    Yeh, G.T.; Salvage, K.M.; Gwo, J.P.; Zachara, J.M.; Szecsody, J.E.

    1998-07-01

    The computer program HYDROBIOGEOCHEM is a coupled model of HYDROlogic transport and BIOGEOCHEMical kinetic and/or equilibrium reactions in saturated/unsaturated media. HYDROBIOGEOCHEM iteratively solves the two-dimensional transport equations and the ordinary differential and algebraic equations of mixed biogeochemical reactions. The transport equations are solved for all aqueous chemical components and kinetically controlled aqueous species. HYDROBIOGEOCHEM is designed for generic application to reactive transport problems affected by both microbiological and geochemical reactions in subsurface media. Input to the program includes the geometry of the system, the spatial distribution of finite elements and nodes, the properties of the media, the potential chemical and microbial reactions, and the initial and boundary conditions. Output includes the spatial distribution of chemical and microbial concentrations as a function of time and space, and the chemical speciation at user-specified nodes.

  12. Incorporating Geochemical And Microbial Kinetics In Reactive Transport Models For Generation Of Acid Rock Drainage

    NASA Astrophysics Data System (ADS)

    Andre, B. J.; Rajaram, H.; Silverstein, J.

    2010-12-01

    Acid mine drainage, AMD, results from the oxidation of metal sulfide minerals (e.g. pyrite), producing ferrous iron and sulfuric acid. Acidophilic autotrophic bacteria such as Acidithiobacillus ferrooxidans and Leptospirillum ferrooxidans obtain energy by oxidizing ferrous iron back to ferric iron, using oxygen as the electron acceptor. Most existing models of AMD do not account for microbial kinetics or iron geochemistry rigorously. Instead they assume that oxygen limitation controls pyrite oxidation and thus focus on oxygen transport. These models have been successfully used for simulating conditions where oxygen availability is a limiting factor (e.g. source prevention by capping), but have not been shown to effectively model acid generation and effluent chemistry under a wider range of conditions. The key reactions, oxidation of pyrite and oxidation of ferrous iron, are both slow kinetic processes. Despite being extensively studied for the last thirty years, there is still not a consensus in the literature about the basic mechanisms, limiting factors or rate expressions for microbially enhanced oxidation of metal sulfides. An indirect leaching mechanism (chemical oxidation of pyrite by ferric iron to produce ferrous iron, with regeneration of ferric iron by microbial oxidation of ferrous iron) is used as the foundation of a conceptual model for microbially enhanced oxidation of pyrite. Using literature data, a rate expression for microbial consumption of ferrous iron is developed that accounts for oxygen, ferrous iron and pH limitation. Reaction rate expressions for oxidation of pyrite and chemical oxidation of ferrous iron are selected from the literature. A completely mixed stirred tank reactor (CSTR) model is implemented coupling the kinetic rate expressions, speciation calculations and flow. The model simulates generation of AMD and effluent chemistry that qualitatively agrees with column reactor and single rock experiments. A one dimensional reaction

  13. On the Upscaling of Reaction-Transport Processes in Porous Media with Fast Kinetics

    SciTech Connect

    Kechagi, P.; Tsimpanogiannis, I.; Yortsos, Y.C.; Lichtner, P.

    2001-01-09

    This report is organized as follows: Provide a brief review of the upscaling constraints of the type (2) for a typical diffusion-reaction system. In this an analogy with two-phase flow in porous media was drawn. Then, using the methodology of QW a problem at the unit cell for the computation of the effective mass transfer coefficient, in processes where local thermodynamic equilibrium applies was derived. This problem is found to be different than in QW, as it depends on the gradients of the macroscale variable, and can be cast in terms of an eigenvalue problem. Two simple, examples, one involving advection-dissolution and another involving drying in a pore network, was presented to illustrate the coupling between scales and to show the quantitative effect in case this coupling was neglected. Finally, similar ideas and an illustrative example was applied to reaction-diffusion systems with fast kinetics, where an equilibrium state is approached.

  14. Effects of solution mass transport on the ECC ozonesonde background current. [Electrochemical Concentration Cell

    NASA Technical Reports Server (NTRS)

    Thornton, D. C.; Niazy, N.

    1983-01-01

    A technique is developed to measure the effective mass transport parameter for the electrochemical concentration cell (ECC) ozonesonde in order to determine the mass transport rate constant for the ECC as a function of pressure. It is shown that a pressure dependent factor in the background current originates in a convective mass transport parameter. It is determined that for atmospheric pressures greater than 100 mb the mass transport parameter is a constant, while at pressures less than 100 mb it decreases logarithmically with pressure. It is suggested that the background current correction is directly correlated to the mass transport parameter pressure dependence. The presently used background current correction, which is based on the partial pressure of oxygen, is found to lead to an overestimation of the integrated ozone value in the troposphere for the ECC ozonesonde data.

  15. Intraparticle mass transfer kinetics on molecularly imprinted polymers of structural analogues of a template

    SciTech Connect

    Kim, Hyunjung; Kaczmarski, Krzysztof; Guiochon, Georges A

    2005-09-01

    The intraparticle mass transfer kinetics of the structural analogues of a template on a Fmoc-L-Tryptophan (Fmoc-L-Trp) imprinted polymer (MIP) and on the corresponding non-imprinted polymer (NIP) were quantitatively studied using the lumped pore diffusion model (POR) of chromatography. The best equilibrium isotherm models of these compounds were used to calculate the high-concentration band profiles of different substrates on the MIP and the NIP with the POR model. These profiles were compared to experimental band profiles. The numerical values of the intraparticle pore and surface diffusion coefficients were adjusted to determine those that minimized the differences between calculated and experimental profiles. The results of this exercise show that surface diffusion is the dominant intraparticle mass transfer process for the substrates on the polymers and that the energetic heterogeneity of the surface should be considered in accounting for the surface diffusion of the L-enantiomers on the MIP. The surface diffusion coefficient increases with decreasing overall affinity of each substrate for the polymers.

  16. Molecular kinetic theory of strongly nonequilibrium processes of mass, momentum, and energy transfer: Local equilibrium criteria

    NASA Astrophysics Data System (ADS)

    Tovbin, Yu. K.

    2015-09-01

    Consequences of the complete system of transfer equations of the properties (momentum, energy, and mass) of particles and their pairs are considered under local equilibrium conditions with regard to the Bogoliubov hierarchy of relaxation times between the first and second distribution functions (DFs) and distinctions in the characteristic relaxation times of particle momentum, energy, and mass. It is found that even under the local equilibrium condition in the Bogoliubov hierarchy of relaxation times between the first and second DFs, pair correlations are maintained between all dynamic variables (velocity, temperature, and density) whose values are proportional to the gradients of transferable properties. A criterion is introduced requiring there be no local equilibrium condition upon reaching the critical value at which the description of the transfer process becomes incorrect in classical nonequilibrium thermodynamics. External forces are considered in the equations for strongly nonequilibrium processes. Along with allowing for intermolecular potentials, it becomes possible to discuss the concept of passive forces (introduced in thermodynamics by Gibbs) from the standpoint of the kinetic theory. It is shown that use of this concept does not reflect modern representations of real processes.

  17. Kinetics of laser-pulse vaporization of uranium carbide by mass spectrometry. [LMFBR

    SciTech Connect

    Tehranian, F.

    1983-06-01

    The kinetics of uranium carbide vaporization in the temperature range 3000 K to 5200 K was studied using a Nd-glass laser with peak power densities from 1.6 x 10/sup 5/ to 4.0 x 10/sup 5/ watts/cm/sup 2/. The vapor species U, UC/sub 2/, C/sub 1/ and C/sub 3/ were detected and analyzed by a quadrupole mass spectrometer. From the mass spectrometer signals number densities of the various species in the ionizer were obtained as functions of time. The surface of the irradiated uranium carbide was examined by scanning electron microscope and the depth profile of the crater was obtained. In order to aid analysis of the data, the heat conduction and species diffusion equations for the solid (or liquid) were solved numerically by a computer code to obtain the temperature and composition transients during laser heating. A sensitivity analysis was used to study the effect of uncertainties in the input parameters on the computed surface temperatures.

  18. Integrated mass transportation system study/definition/implementation program definition

    NASA Technical Reports Server (NTRS)

    Ransone, R. K.; Deptula, D. A.; Yorke, G. G.

    1975-01-01

    Specific actions needed to plan and effect transportation system improvements are identified within the constraints of limited financial, energy and land use resources, and diverse community requirements. A specific program is described which would develop the necessary generalized methodology for devising improved transportation systems and evaluate them against specific criteria for intermodal and intramodal optimization. A consistent, generalized method is provided for study and evaluation of transportation system improvements.

  19. Effects of Cholesterol on the Thermodynamics and Kinetics of Passive Transport of Water through Lipid Membranes.

    PubMed

    Issack, Bilkiss B; Peslherbe, Gilles H

    2015-07-23

    While it has long been known that cholesterol reduces the permeability of biological membranes to water, the exact mechanism by which cholesterol influences transmembrane permeation is still unclear. The thermodynamic and kinetic contributions to the transport of water across mixed DPPC/cholesterol bilayers of different composition are thus examined by molecular dynamics simulations. Our analyses show that cholesterol decreases transmembrane permeability to water mainly by altering the thermodynamics of water transport. In particular, the free-energy barrier to permeation is magnified in the dense bilayer interior and the partitioning of water is significantly lowered. The changes are observed to correlate quantitatively well with the cholesterol-dependent density and thickness of the bilayers. In contrast, diffusion coefficients are relatively insensitive to cholesterol concentration, except in the sparsely populated center of the bilayer. Diffusion of water in cholesterol-containing bilayers appears to be related to changes in the free area in the middle of the bilayer and to the solute cross-sectional area in the denser hydrophobic regions. Overall, cholesterol is found to have an inhibitory effect on the permeation of water at all concentrations investigated, although bilayers containing cholesterol concentrations up to 20 mol % display a more dramatic dependence on cholesterol content than at higher concentrations. Our results show that it is possible to quantitatively reproduce the relative effects of cholesterol on lipid bilayer permeability from molecular dynamics simulations.

  20. A diffusion-kinetic model for pulverized-coal combustion and heat-and-mass transfer in a gas stream

    SciTech Connect

    E.A. Boiko; S.V. Pachkovskii

    2008-12-15

    A diffusion-kinetic model for pulverized-coal combustion and heat-and-mass transfer in a gas stream is proposed, and the results of numerical simulation of the burnout dynamics of Kansk-Achinsk coals in the pulverized state at different treatment conditions and different model parameters are presented. The mathematical model describes the dynamics of thermochemical conversion of solid organic fuels with allowance for complex physicochemical phenomena of heat-and-mass exchange between coal particles and the gaseous environment.

  1. Kinetic parameter estimation in N. europaea biofilms using a 2-D reactive transport model.

    PubMed

    Lauchnor, Ellen G; Semprini, Lewis; Wood, Brian D

    2015-06-01

    Biofilms of the ammonia oxidizing bacterium Nitrosomonas europaea were cultivated to study microbial processes associated with ammonia oxidation in pure culture. We explored the hypothesis that the kinetic parameters of ammonia oxidation in N. europaea biofilms were in the range of those determined with batch suspended cells. Oxygen and pH microelectrodes were used to measure dissolved oxygen (DO) concentrations and pH above and inside biofilms and reactive transport modeling was performed to simulate the measured DO and pH profiles. A two dimensional (2-D) model was used to simulate advection parallel to the biofilm surface and diffusion through the overlying fluid while reaction and diffusion were simulated in the biofilm. Three experimental studies of microsensor measurements were performed with biofilms: i) NH3 concentrations near the Ksn value of 40 μM determined in suspended cell tests ii) Limited buffering capacity which resulted in a pH gradient within the biofilms and iii) NH3 concentrations well below the Ksn value. Very good fits to the DO concentration profiles both in the fluid above and in the biofilms were achieved using the 2-D model. The modeling study revealed that the half-saturation coefficient for NH3 in N. europaea biofilms was close to the value measured in suspended cells. However, the third study of biofilms with low availability of NH3 deviated from the model prediction. The model also predicted shifts in the DO profiles and the gradient in pH that resulted for the case of limited buffering capacity. The results illustrate the importance of incorporating both key transport and chemical processes in a biofilm reactive transport model.

  2. Kinetic Monte Carlo of transport processes in Al/AlOx/Au-layers: Impact of defects

    NASA Astrophysics Data System (ADS)

    Weiler, Benedikt; Haeberle, Tobias; Gagliardi, Alessio; Lugli, Paolo

    2016-09-01

    Ultrathin films of alumina were investigated by a compact kMC-model. Experimental jV-curves from Al/AlOx/Au-junctions with plasma- and thermal-grown AlOx were fitted by simulated ones. We found dominant defects at 2.3-2.5 eV below CBM for AlOx with an effective mass mox ∗= 0.35 m0 and a barrier EB ,A l /A l O x≈2.8 eV in agreement with literature. The parameterization is extended to varying defect levels, defect densities, injection barriers, effective masses and the thickness of AlOx. Thus, dominant charge transport processes and implications on the relevance of defects are derived and AlOx parameters are specified which are detrimental for the operation of devices.

  3. Neutron emission effects on fragment mass and kinetic energy distribution from fission of 239{sup Pu} induced by thermal neutrons

    SciTech Connect

    Montoya, M.; Rojas, J.; Lobato, I.

    2010-08-04

    The average of fragment kinetic energy (E-bar sign*) and the multiplicity of prompt neutrons ({nu}(bar sign)) as a function of fragment mass (m*), as well as the fragment mass yield (Y(m*)) from thermal neutron-induced fission of {sup 239}Pu have been measured by Tsuchiya et al.. In that work the mass and kinetic energy are calculated from the measured kinetic energy of one fragment and the difference of time of flight of the two complementary fragments. However they do not present their results about the standard deviation {sigma}{sub E}*(m*). In this work we have made a numerical simulation of that experiment which reproduces its results, assuming an initial distribution of the primary fragment kinetic energy (E(A)) with a constant value of the standard deviation as function of fragment mass ({sigma}{sub E}(A)). As a result of the simulation we obtain the dependence {sigma}{sub E}*(m*) which presents an enhancement between m* = 92 and m* = 110, and a peak at m* = 121.

  4. Blood-brain barrier transport kinetics of the cyclic depsipeptide mycotoxins beauvericin and enniatins.

    PubMed

    Taevernier, Lien; Bracke, Nathalie; Veryser, Lieselotte; Wynendaele, Evelien; Gevaert, Bert; Peremans, Kathelijne; De Spiegeleer, Bart

    2016-09-01

    The cyclic depsipeptide mycotoxins beauvericin and enniatins are capable of reaching the systemic circulation through various routes of exposure and are hence capable of exerting central nervous system (CNS) effects, if they are able to pass the blood-brain barrier (BBB), which was the main objective of this study. Quantification of the mycotoxins was performed using an in-house developed and validated bio-analytical UHPLC-MS/MS method. Prior to the BBB experiments, the metabolic stability of the mycotoxins was evaluated in vitro in mouse serum and brain homogenate. The BBB permeation kinetics of beauvericin and enniatins were studied using an in vivo mice model, applying multiple time regression for studying the blood-to-brain influx. Additionally, capillary depletion was applied to obtain the fraction of the peptides really entering the brain parenchyma and the fraction loosely adhered to the brain capillary wall. Finally, also the brain-to-blood efflux transport kinetics was studied. Metabolic stability data indicated that the investigated mycotoxins were stable during the duration of the in vivo study. The brain influx study showed that beauvericin and enniatins are able to cross the blood-brain barrier in mice: using the Gjedde-Patlak biphasic model, it was shown that all investigated mycotoxins exert a high initial influx rate into the brain (K1 ranging from 11 to 53μL/(g×min)), rapidly reaching a plateau. After penetration, the mycotoxins reached the brain parenchyma (95%) with only a limited amount residing in the capillaries (5%). Negligible efflux (<0.005min(-1)) from the brain was observed in the 15min post-intracerebroventricular injection. PMID:27349679

  5. Measurement and visualization of mass transport for the flowing atmospheric pressure afterglow (FAPA) ambient mass-spectrometry source.

    PubMed

    Pfeuffer, Kevin P; Ray, Steven J; Hieftje, Gary M

    2014-05-01

    Ambient desorption/ionization mass spectrometry (ADI-MS) has developed into an important analytical field over the last 9 years. The ability to analyze samples under ambient conditions while retaining the sensitivity and specificity of mass spectrometry has led to numerous applications and a corresponding jump in the popularity of this field. Despite the great potential of ADI-MS, problems remain in the areas of ion identification and quantification. Difficulties with ion identification can be solved through modified instrumentation, including accurate-mass or MS/MS capabilities for analyte identification. More difficult problems include quantification because of the ambient nature of the sampling process. To characterize and improve sample volatilization, ionization, and introduction into the mass spectrometer interface, a method of visualizing mass transport into the mass spectrometer is needed. Schlieren imaging is a well-established technique that renders small changes in refractive index visible. Here, schlieren imaging was used to visualize helium flow from a plasma-based ADI-MS source into a mass spectrometer while ion signals were recorded. Optimal sample positions for melting-point capillary and transmission-mode (stainless steel mesh) introduction were found to be near (within 1 mm of) the mass spectrometer inlet. Additionally, the orientation of the sampled surface plays a significant role. More efficient mass transport resulted for analyte deposits directly facing the MS inlet. Different surfaces (glass slide and rough surface) were also examined; for both it was found that the optimal position is immediately beneath the MS inlet.

  6. Mass-transport limitation to in-cloud reaction rates: Implications of new accommodation coefficient measurements

    SciTech Connect

    Schwartz, S.E.

    1988-10-01

    Although it has been recognized for some time that the rate of reactive uptake of gases in cloudwater can depend on the value of the mass-accommodation coefficient (..cap alpha..) describing interfacial mass transport (MT), definitive evaluation of such rates is only now becoming possible with the availability of measurements of ..cap alpha.. for gases of atmospheric interest at air-water interfaces. Examination of MT limitation to the rate of in-cloud aqueous-phase oxidation of SO/sub 2/ by O/sub 3/ and H/sub 2/O/sub 2/ shows that despite the low value of ..cap alpha../sub O3/ (5 /times/ 10/sup /minus/4/), interfacial MT of this species is not limiting under essentially all conditions of interest; the high values of ..cap alpha.. for SO/sub 2/ (greater than or equal to 0.2) and H/sub 2/O/sub 2/ (greater than or equal to 0.08) indicate no interfacial MT limitation for these species also. Although gas- and aqueous-phase MT can be limiting under certain extremes of conditions, treating the system as under chemical kinetic control is generally an excellent approximation. Interfacial MT limitation also is found not to hinder the rate of H/sub 2/O/sub 2/ formation by aqueous-phase disproportionation of HO/sub 2/. Finally, the rapid uptake of N/sub 2/O/sub 5/ by cloud droplets implies that the yield of aqueous HNO/sub 3/ from in-cloud gas-phase oxidation of NO/sub 2/by O/sub 3/ can be substantial even under daytime conditions. This report consists of copies of viewgraphs prepared for this presentation.

  7. A boundary element-Random walk model of mass transport in groundwater

    USGS Publications Warehouse

    Kemblowski, M.

    1986-01-01

    A boundary element solution to the convective mass transport in groundwater is presented. This solution produces a continuous velocity field and reduces the amount of data preparation time and bookkeeping. By combining this solution and the random walk procedure, a convective-dispersive mass transport model is obtained. This model may be easily used to simulate groundwater contamination problems. The accuracy of the boundary element model has been verified by reproducing the analytical solution to a two-dimensional convective mass transport problem. The method was also used to simulate a convective-dispersive problem. ?? 1986.

  8. Role of kinetic inductance in transport properties of shunted superconducting nanowires.

    PubMed

    Lin, Shi-Zeng; Roy, Dibyendu

    2013-08-14

    Recently, transport measurements have been carried out in resistively shunted long superconducting nanowires (Brenner et al 2012 Phys. Rev. B 85 224507). The measured voltage-current (V-I) characteristics were explained by the appearance of the phase slip centers in the shunted wire, and the whole wire was modeled as a single Josephson junction. The kinetic inductance of the long nanowires used in experiments is generally large. Here we argue that the shunted superconducting nanowire acts as a Josephson junction in series with an inductor. The inductance depends on the length and the cross section of the wire. The inclusion of inductance in our analysis modifies the V-I curves, and increases the rate of switching from the superconducting state to the resistive state. The quantitative differences can be quite large in some practical parameter sets, and might be important to properly understand the experimental results. Our proposed model can be verified experimentally by studying the shunted superconducting nanowires of different lengths and cross sections.

  9. Kinetics of coupling water and cryoprotectant transport across cell membranes and applications to cryopreservation.

    PubMed

    Weng, Lindong; Li, Weizhong; Chen, Cong; Zuo, Jianguo

    2011-12-15

    Thermodynamic and kinetic models can provide a wealth of information on the physical response of living cells and tissues experiencing cryopreservation procedures. Both isothermal and nonisothermal models have been proposed so far, accompanied by experimental verification and cryoapplications. But the cryoprotective solution is usually assumed to be dilute and ideal in the models proposed in the literature. Additionally, few nonisothermal models are able to couple the transmembrane transport of water and cryoprotectant during cooling and warming of cells. To overcome these limitations, this study develops a whole new set of equations that can quantify the cotransport of water and cryoprotectant across cell membranes in the nondilute and nonideal solution during the freezing and thawing protocols. The new models proposed here can be simplified into ones consistent with the classic models if some specific assumptions are included. For cryobiological practice, they are applied to predict the volumetric change for imprinting control region (ICR) mouse spermatozoa and human corneal keratocytes in the freezing protocol. The new models can determine the intracellular concentration of cryoprotectant more precisely than others by abandoning the assumptions such as dilute and ideal solutions and nonpermeability of membranes to cryoprotectant. Further, the findings in this study will offer new insights into the physical response of cells undergoing cryopreservation. PMID:22039989

  10. Micromodel Investigation of Transport Effect on the Kinetics of Reductive Dissolution of Hematite

    SciTech Connect

    Zhang, Changyong; Liu, Chongxuan; Shi, Zhi

    2013-03-13

    Reductive dissolution of hematite in porous media was investigated using a micromodel with realistic pore network structures that include distinctive advection domain, macro-pores and micro-pores created in silicon substrate. The micromodel pore surface was sputter deposited with a thin layer (230 nm) of hematite. The hematite in the micromodel was reduced by injecting pH-varying solutions containing a reduced form of flavin mononucleotide (FMNH2), a biogenic soluble electron transfer mediator produced by Shewanella species. The reduction kinetics was determined by measuring effluent Fe(II) concentration and by spectroscopically monitoring the hematite dissolution front in the micromodel. Batch experiment was also performed to estimate the hematite reduction rate under the well-mixed condition. The results showed a significant spatial variation in local redox reaction rate that was controlled by the coupled diffusion and reaction. The overall rate of the redox reaction in the micromodel required a three-domain numerical model to effectively describe with distinctive rate parameters in different pore domains. Results from this study demonstrated the important scaling effect when extrapolating geochemical or biogeochemical reaction rate from batch reactor to porous media and indicated a significant control of physical transport mechanisms on the reaction rate scaling.

  11. Subcontinuum mass transport of condensed hydrocarbons in nanoporous media

    PubMed Central

    Falk, Kerstin; Coasne, Benoit; Pellenq, Roland; Ulm, Franz-Josef; Bocquet, Lydéric

    2015-01-01

    Although hydrocarbon production from unconventional reservoirs, the so-called shale gas, has exploded recently, reliable predictions of resource availability and extraction are missing because conventional tools fail to account for their ultra-low permeability and complexity. Here, we use molecular simulation and statistical mechanics to show that continuum description—Darcy's law—fails to predict transport in shales nanoporous matrix (kerogen). The non-Darcy behaviour arises from strong adsorption in kerogen and the breakdown of hydrodynamics at the nanoscale, which contradict the assumption of viscous flow. Despite this complexity, all permeances collapse on a master curve with an unexpected dependence on alkane length. We rationalize this non-hydrodynamic behaviour using a molecular description capturing the scaling of permeance with alkane length and density. These results, which stress the need for a change of paradigm from classical descriptions to nanofluidic transport, have implications for shale gas but more generally for transport in nanoporous media. PMID:25901931

  12. Atomistic long-term simulation of heat and mass transport

    NASA Astrophysics Data System (ADS)

    Venturini, G.; Wang, K.; Romero, I.; Ariza, M. P.; Ortiz, M.

    2014-12-01

    We formulate a theory of non-equilibrium statistical thermodynamics for ensembles of atoms or molecules. The theory is an application of Jaynes' maximum entropy principle, which allows the statistical treatment of systems away from equilibrium. In particular, neither temperature nor atomic fractions are required to be uniform but instead are allowed to take different values from particle to particle. In addition, following the Coleman-Noll method of continuum thermodynamics we derive a dissipation inequality expressed in terms of discrete thermodynamic fluxes and forces. This discrete dissipation inequality effectively sets the structure for discrete kinetic potentials that couple the microscopic field rates to the corresponding driving forces, thus resulting in a closed set of equations governing the evolution of the system. We complement the general theory with a variational meanfield theory that provides a basis for the formulation of computationally tractable approximations. We present several validation cases, concerned with equilibrium properties of alloys, heat conduction in silicon nanowires and hydrogen desorption from palladium thin films, that demonstrate the range and scope of the method and assess its fidelity and predictiveness. These validation cases are characterized by the need or desirability to account for atomic-level properties while simultaneously entailing time scales much longer than those accessible to direct molecular dynamics. The ability of simple meanfield models and discrete kinetic laws to reproduce equilibrium properties and long-term behavior of complex systems is remarkable.

  13. Measurements of the transport efficiency of the fragment mass analyzer

    SciTech Connect

    Back, B.B.; Blumenthal, D.J.; Davids, C.N.

    1995-08-01

    Extensive calculations of the transport of reaction products were carried out during the design phase of the instrument using the computer code GIOS. These show that the energy acceptance depends strongly on the angular deviation from the optical axis of the instrument. In order to reliably measure cross sections using this instrument it is therefore necessary to verify these calculations empirically.

  14. Mass transfer and transport of radionuclides in fractured porous rock

    SciTech Connect

    Ahn, Joonhong

    1988-04-01

    Analytical studies are made to predict space-time dependent concentrations of radionuclides transported through water-saturated fractured porous rock. A basic model, which is expected to generate conservative results when used in long-term safety assessment of geologic repositories for radioactive waste, is established. Applicability and limitations of the model are investigated. 67 refs., 54 figs., 3 tabs.

  15. Mass transport in salt repositories: Steady-state transport through interbeds

    SciTech Connect

    Hwang, Y.; Lee, W.W.-L.; Chambre, P.L.; Pigford, T.H. . Dept. of Nuclear Engineering)

    1989-03-01

    Salt has long been a candidate for geologic disposal of nuclear waste. Because salt is extremely soluble in water, the existence of rock salt in the ground atest to the long-term stability of the salt. Both bedded salt and salt domes have been considered for nuclear waste disposal in the United States and Europe. While the salt is known to be quite pure in salt domes, bedded salt is interlaced with beds of sediments. Traditionally rock salt has not been considered water-conducting, but sediments layers would be classical porous media, capable of conducting water. Therefore there is interest in determining whether interbeds in bedded salt constitute pathway for radionuclide migration. In this report we consider steady-state migration of radionuclides from a single waste cylinder into a single interbed. Two approaches are used. In 1982 Neretnieks proposed an approach for calculating the steady-state transport of oxidants to a copper container. We have adapted that approach for calculating steady-state radionuclide migration away from the waste package, as a first approximation. We have also analyzed the problem of time-dependent radionuclide diffusion from a container through a backfill layer into a fracture, and we used the steady-state solution from that problem for comparison. Section 2 gives a brief summary of the geology of interbeds in bedded salt. Section 3 presents the mass transfer resistances approach of Neretnieks, summarizing the formulation and giving numerical illustrations of the steady-state two-dimensional diffusion analysis. Section 4 gives a brief statement of the steady-state result from a related analysis. Conclusions are stated in Section 5. 13 refs., 5 figs., 2 tabs.

  16. Universality of Poisson indicator and Fano factor of transport event statistics in ion channels and enzyme kinetics.

    PubMed

    Chaudhury, Srabanti; Cao, Jianshu; Sinitsyn, Nikolai A

    2013-01-17

    We consider a generic stochastic model of ion transport through a single channel with arbitrary internal structure and kinetic rates of transitions between internal states. This model is also applicable to describe kinetics of a class of enzymes in which turnover events correspond to conversion of substrate into product by a single enzyme molecule. We show that measurement of statistics of single molecule transition time through the channel contains only restricted information about internal structure of the channel. In particular, the most accessible flux fluctuation characteristics, such as the Poisson indicator (P) and the Fano factor (F) as function of solute concentration, depend only on three parameters in addition to the parameters of the Michaelis-Menten curve that characterizes average current through the channel. Nevertheless, measurement of Poisson indicator or Fano factor for such renewal processes can discriminate reactions with multiple intermediate steps as well as provide valuable information about the internal kinetic rates.

  17. Kinetic Monte Carlo Model of Charge Transport in Hematite (α-Fe2O3)

    SciTech Connect

    Kerisit, Sebastien N.; Rosso, Kevin M.

    2007-09-28

    The mobility of electrons injected into iron oxide minerals via abiotic and biotic electron-transfer processes is one of the key factors that control the reductive dissolution of such minerals. Building upon our previous work on the computational modeling of elementary electron transfer reactions in iron oxide minerals using ab initio electronic structure calculations and parameterized molecular dynamics simulations, we have developed and implemented a kinetic Monte Carlo model of charge transport in hematite that integrates previous findings. The model aims to simulate the interplay between electron transfer processes for extended periods of time in lattices of increasing complexity. The electron transfer reactions considered here involve the II/III valence interchange between nearest-neighbor iron atoms via a small polaron hopping mechanism. The temperature dependence and anisotropic behavior of the electrical conductivity as predicted by our model are in good agreement with experimental data on hematite single crystals. In addition, we characterize the effect of electron polaron concentration and that of a range of defects on the electron mobility. Interaction potentials between electron polarons and fixed defects (iron substitution by divalent, tetravalent, and isovalent ions and iron and oxygen vacancies) are determined from atomistic simulations, based on the same model used to derive the electron transfer parameters, and show little deviation from the Coulombic interaction energy. Integration of the interaction potentials in the kinetic Monte Carlo simulations allows the electron polaron diffusion coefficient and density and residence time around defect sites to be determined as a function of polaron concentration in the presence of repulsive and attractive defects. The decrease in diffusion coefficient with polaron concentration follows a logarithmic function up to the highest concentration considered, i.e., ~2% of iron(III) sites, whereas the presence of

  18. Kinetic Monte Carlo model of charge transport in hematite (α-Fe2O3)

    NASA Astrophysics Data System (ADS)

    Kerisit, Sebastien; Rosso, Kevin M.

    2007-09-01

    The mobility of electrons injected into iron oxide minerals via abiotic and biotic electron transfer processes is one of the key factors that control the reductive dissolution of such minerals. Building upon our previous work on the computational modeling of elementary electron transfer reactions in iron oxide minerals using ab initio electronic structure calculations and parametrized molecular dynamics simulations, we have developed and implemented a kinetic Monte Carlo model of charge transport in hematite that integrates previous findings. The model aims to simulate the interplay between electron transfer processes for extended periods of time in lattices of increasing complexity. The electron transfer reactions considered here involve the II/III valence interchange between nearest-neighbor iron atoms via a small polaron hopping mechanism. The temperature dependence and anisotropic behavior of the electrical conductivity as predicted by our model are in good agreement with experimental data on hematite single crystals. In addition, we characterize the effect of electron polaron concentration and that of a range of defects on the electron mobility. Interaction potentials between electron polarons and fixed defects (iron substitution by divalent, tetravalent, and isovalent ions and iron and oxygen vacancies) are determined from atomistic simulations, based on the same model used to derive the electron transfer parameters, and show little deviation from the Coulombic interaction energy. Integration of the interaction potentials in the kinetic Monte Carlo simulations allows the electron polaron diffusion coefficient and density and residence time around defect sites to be determined as a function of polaron concentration in the presence of repulsive and attractive defects. The decrease in diffusion coefficient with polaron concentration follows a logarithmic function up to the highest concentration considered, i.e., ˜2% of iron(III) sites, whereas the presence of

  19. Lactate transport by rainbow trout white muscle: kinetic characteristics and sensitivity to inhibitors.

    PubMed

    Wang, Y; Wright, P M; Heigenhauser, G J; Wood, C M

    1997-05-01

    This study used an isolated-perfused tail-trunk preparation of rainbow trout to examine the uptake and release of lactate (Lac) and metabolic protons (delta H+M) in resting and exercised fish white muscle. In exercised muscle, L(+)-Lac efflux was inhibited (approximately 40%) by 5 mM alpha-cyano-4-hydroxycinnamate (CIN), but not by 0.5 mM 4-acetamido-4'-isothiocyanostilbene-2,2'-disulfonic acid (SITS) or 0.1 mM amiloride. These results suggest that Lac release occurs through a Lac(-)-H- symport and the free diffusion of lactic acid (HLac) or Lac-, but not via the Lac-/HCO3(-)-Cl- antiporter. Lac efflux was accompanied by delta H+m influx in all treatments, and increased delta H+m influx occurred after SITS treatment. In resting muscle, Lac uptake rates were greater than Lac efflux rates in the postexercise preparation. L-Lac influx exhibited partial saturation kinetics, whereas D(-)-Lac influx was linearly related to its extracellular concentration (0-32 mM). At 16 mM extracellular L-Lac, with a negligible transmembrane L-HLac gradient and an outwardly directed not driving force on L-Lac-, CIN, and SITS reduced net L-Lac uptake by 75 and 45%, respectively. At 16 mM extracellular concentration, D-Lac influx was 64% of the net L-Lac influx. These results suggest that in trout muscle at 16 mM extracellular L-Lac, the Lac -H+ symport accounts for 30-36%, the Lac-/HCO3(-)-Cl- antiport for 39-45%, and diffusion for 19-25% of uptake, although the latter is probably overestimated and the former underestimated for methodological reasons. Net L-Lac efflux was not affected by extracellular D-Lac concentration and/or D-Lac influx, implying the existence of a concurrent L-Lac efflux during L-Lac influx. The D-Lac influx kinetics data indicated that the Lac-/HCO3 antiport was not saturable in the extracellular D-Lac concentration range of 0-32 mM. This study clearly demonstrates the involvement of carrier-mediated transport in transmembrane Lac movement in fish muscle and

  20. Modeling of anaerobic formate kinetics in mixed biofilm culture using dynamic membrane mass spectrometric measurement

    SciTech Connect

    Dornseiffer, P.; Meyer, B.; Heinzle, E.

    1995-02-05

    Anaerobic wastewater treatment is an attractive alternative to aerobic treatment because of lower operating costs, less sludge production, energy recovery (biogas), and control of odor emission in necessarily contained systems. The dynamics of the anaerobic conversion of formate in a microbial mixed culture taken from an anaerobic fluidized bed reactor was studied using a new stirred micro reactor equipped with a membrane mass spectrometer. The microreactor with a toroidally shaped bottom and pitched blade turbine and a cylindrical flow guide was thermostated and additionally equipped with a pH electrode and pH control. During fed-batch experiments using formate, the dissolved gases (methane, hydrogen, and carbon dioxide), as well as the acid consumption rates for pH control were monitored continuously. Initially and at the end of each experiment, organic acids were analyzed using ion chromatography (IC). It was found that about 50% of the formate was converted to methane via hydrogen and carbon dioxide, 40% gave methane either directly or via acetate. This was calculated from experiments using H{sup 13}CO{sub 3}{sup {minus}} pulses and measurement of {sup 12}CH{sub 4} and {sup 13}CH{sub 4} production rates. About 10% of the formate was converted to lactate, acetate, and propionate, thereby increasing the measured CO{sub 2}/CH{sub 4} production ratio. The nondissociated formic acid was shown to be rate determining. From the relatively high K{sub s} value of 2.5 mmol m{sup {minus}3}, it was concluded that formate cannot play an important role in electron transfer. During dynamic feeding of formate, hydrogen concentration always increased to a maximum before decreasing again. This peak was found to be very discriminative during modeling. From the various models set up, only those with two-stage degradation and double Monrod kinetics, both for CO{sub 2} and hydrogen, were able to describe the experimental data adequately.

  1. Mass and heat transport in direct methanol fuel cells

    NASA Astrophysics Data System (ADS)

    Ismail, A.; Kamarudin, S. K.; Daud, W. R. W.; Masdar, S.; Yosfiah, M. R.

    The direct methanol fuel cell (DMFC) is a better alternative to the conventional battery. The DMFC offers several advantages, namely, faster building of potential and longer-lasting fuel, however, there are still several issues that need to be addressed to design a better DMFC system. This article is a wide-ranging review of the most up-to-date studies on mass and heat transfer in the DMFC. The discussion will be focused on the critical problems limiting the performance of DMFCs. In addition, a technique for upgrading the DMFC with an integrated system will be presented, along with existing numerical models for modeling mass and heat transfer as well as cell performance.

  2. Determination of triacylglycerol regioisomers using electrospray ionization-quadrupole ion trap mass spectrometry with a kinetic method.

    PubMed

    Leveque, Nathalie L; Acheampong, Akwasi; Heron, Sylvie; Tchapla, Alain

    2012-04-13

    The kinetic method was applied to differentiate and quantify mixtures of regioisomeric triacylglycerols (TAGs) by generating and mass selecting alkali ion bound metal dimeric clusters with a TAG chosen as reference (ref) and examining their competitive dissociations in a quadrupole ion trap mass spectrometer. This methodology readily distinguished pairs of regioisomers (AAB/ABA) such as LLO/LOL, OOP/OPO and SSP/SPS and consequently distinguished sn-1/sn-3, sn-2 substituents on the glycerol backbone. The dimeric complex ions [ref, Li, TAG((AAB and/or ABA))](+) generated by electrospray ionization mass spectrometry were subjected to collision induced dissociation causing competitive loss of either the neutral TAG reference (ref) leading to [Li(AAB and/or ABA)](+) or the neutral TAG molecule (TAG((AAB and/or ABA))) leading to [ref, Li](+). The ratio of the two competitive dissociation rates, defined by the product ion branching ratio (R(iso)), was related via the kinetic method to the regioisomeric composition of the investigated TAG mixture. In this work, a linear correlation was established between composition of the mixture of each TAG regioisomer and the logarithm of the branching ratio for competitive fragmentation. Depending on the availability of at least one TAG regioisomer as standard, the kinetic method and the standard additions method led to the quantitative analysis of natural TAG mixtures. PMID:22444537

  3. Measurement and Visualization of Mass Transport for the Flowing Atmospheric Pressure Afterglow (FAPA) Ambient Mass-Spectrometry Source

    PubMed Central

    Pfeuffer, Kevin P.; Ray, Steven J.; Hieftje, Gary M.

    2014-01-01

    Ambient desorption/ionization mass spectrometry (ADI-MS) has developed into an important analytical field over the last nine years. The ability to analyze samples under ambient conditions while retaining the sensitivity and specificity of mass spectrometry has led to numerous applications and a corresponding jump in the popularity of this field. Despite the great potential of ADI-MS, problems remain in the areas of ion identification and quantification. Difficulties with ion identification can be solved through modified instrumentation, including accurate-mass or MS/MS capabilities for analyte identification. More difficult problems include quantification due to the ambient nature of the sampling process. To characterize and improve sample volatilization, ionization, and introduction into the mass-spectrometer interface, a method of visualizing mass transport into the mass spectrometer is needed. Schlieren imaging is a well-established technique that renders small changes in refractive index visible. Here, schlieren imaging was used to visualize helium flow from a plasma-based ADI-MS source into a mass spectrometer while ion signals were recorded. Optimal sample positions for melting-point capillary and transmission-mode (stainless steel mesh) introduction were found to be near (within 1 mm of) the mass spectrometer inlet. Additionally, the orientation of the sampled surface plays a significant role. More efficient mass transport resulted for analyte deposits directly facing the MS inlet. Different surfaces (glass slide and rough surface) were also examined; for both it was found that the optimal position is immediately beneath the MS inlet. PMID:24658804

  4. Effect of the racket mass and the rate of strokes on kinematics and kinetics in the table tennis topspin backhand.

    PubMed

    Iino, Yoichi; Kojima, Takeji

    2016-01-01

    The purpose of this study was to investigate the effect of the racket mass and the rate of strokes on the kinematics and kinetics of the trunk and the racket arm in the table tennis topspin backhand. Eight male Division I collegiate table tennis players hit topspin backhands against topspin balls projected at 75 balls · min(-1) and 35 balls · min(-1) using three rackets varying in mass of 153.5, 176 and 201.5 g. A motion capture system was used to obtain trunk and racket arm motion data. The joint torques of the racket arm were determined using inverse dynamics. The racket mass did not significantly affect all the trunk and racket arm kinematics and kinetics examined except for the wrist dorsiflexion torque, which was significantly larger for the large mass racket than for the small mass racket. The racket speed at impact was significantly lower for the high ball frequency than for the low ball frequency. This was probably because pelvis and upper trunk axial rotations tended to be more restricted for the high ball frequency. The result highlights one of the advantages of playing close to the table and making the rally speed fast. PMID:26208598

  5. Effect of the racket mass and the rate of strokes on kinematics and kinetics in the table tennis topspin backhand.

    PubMed

    Iino, Yoichi; Kojima, Takeji

    2016-01-01

    The purpose of this study was to investigate the effect of the racket mass and the rate of strokes on the kinematics and kinetics of the trunk and the racket arm in the table tennis topspin backhand. Eight male Division I collegiate table tennis players hit topspin backhands against topspin balls projected at 75 balls · min(-1) and 35 balls · min(-1) using three rackets varying in mass of 153.5, 176 and 201.5 g. A motion capture system was used to obtain trunk and racket arm motion data. The joint torques of the racket arm were determined using inverse dynamics. The racket mass did not significantly affect all the trunk and racket arm kinematics and kinetics examined except for the wrist dorsiflexion torque, which was significantly larger for the large mass racket than for the small mass racket. The racket speed at impact was significantly lower for the high ball frequency than for the low ball frequency. This was probably because pelvis and upper trunk axial rotations tended to be more restricted for the high ball frequency. The result highlights one of the advantages of playing close to the table and making the rally speed fast.

  6. Modifier mass transfer kinetic effect in the performance of solvent gradient simulated moving bed (SG-SMB) process

    NASA Astrophysics Data System (ADS)

    Câmara, L. D. T.

    2015-09-01

    The solvent-gradient simulated moving bed process (SG-SMB) is the new tendency in the performance improvement if compared to the traditional isocratic solvent conditions. In such SG-SMB separation process the modulation of the solvent strength leads to significant increase in the purities and productivity followed by reduction in the solvent consumption. A stepwise modelling approach was utilized in the representation of the interconnected chromatographic columns of the system combined with lumped mass transfer models between the solid and liquid phase. The influence of the solvent modifier was considered applying the Abel model which takes into account the effect of modifier volume fraction over the partition coefficient. The modelling and simulations were carried out and compared to the experimental SG-SMB separation of the amino acids phenylalanine and tryptophan. A lumped mass transfer kinetic model was applied for both the modifier (ethanol) as well as the solutes. The simulation results showed that such simple and global mass transfer models are enough to represent all the mass transfer effect between the solid adsorbent and the liquid phase. The separation performance can be improved reducing the interaction or the mass transfer kinetic effect between the solid adsorbent phase and the modifier. The simulations showed great agreement fitting the experimental data of the amino acids concentrations both at the extract as well as at the raffinate.

  7. On the optimum fields and bounds for heat and mass transport in two turbulent flows

    NASA Astrophysics Data System (ADS)

    Vitanov, Nikolay

    2011-12-01

    The optimum theory of turbulence is one of the few tools for obtaining analytical results for transport of heat, mass or momentum by turbulent flows. This is achieved by asymptotic theory which is valid for large values of the characteristic numbers of the investigated fluid system. For small and intermediate values of the Reynolds, Rayleigh or Taylor numbers we have to solve numerically the Euler-Lagrange equations of the corresponding variational problems. Below we discuss numerical results from the application of the Howard-Busse method of the optimum theory of turbulence to two problems: convective heat transport in non-rotating and rotating fluid layer and mass transport in pipe flow. We obtain profiles of the optimum fields and discuss the evolution of the thickness of the boundary layers as well as present our first results about the lower bound on the mass transport in a pipe flow.

  8. New mass transport elements and components for the NIST IAQ Model

    SciTech Connect

    Axley, J.W.

    1995-07-01

    This report presents new mass transport elements for the next generation of the NIST IAQ Model that may be used to model (1) homogenous (bulk-air) chemistry within well-mixed chamber, (2) aerosol mass transport within well-mixed chambers and fractional particle filtration in building filtration devices, and (3) heterogeneous (surface-related) physical processes and chemical transformations including those governing the behavior of gas-phase air cleaning devices. In an effort to maintain rigor, generality, and flexibility, each transport process is formulated in terms of the elemental mass transport step that together govern the overall process. In this way, the more complex processes may be represented as component equations that are assembled from fundamental element equations.

  9. Transport of magnetic flux and mass in Saturn's inner magnetosphere

    NASA Astrophysics Data System (ADS)

    Lai, H. R.; Russell, C. T.; Jia, Y. D.; Wei, H. Y.; Dougherty, M. K.

    2016-04-01

    It is well accepted that cold plasma sourced by Enceladus is ultimately lost to the solar wind, while the magnetic flux convecting outward with the plasma must return to the inner magnetosphere. However, whether the interchange or reconnection, or a combination of the two processes is the dominant mechanism in returning the magnetic flux is still under debate. Initial Cassini observations have shown that the magnetic flux returns in the form of flux tubes in the inner magnetosphere. Here we investigate those events with 10 year Cassini magnetometer data and confirm that their magnetic signatures are determined by the background plasma environments: inside (outside) the plasma disk, the returning magnetic field is enhanced (depressed) in strength. The distribution, temporal variation, shape, and transportation rate of the flux tubes are also characterized. The flux tubes break into smaller ones as they convect in. The shape of their cross section is closer to circular than fingerlike as produced in the simulations based on the interchange mechanism. In addition, no sudden changes in any flux tube properties can be found at the "boundary" which has been claimed to separate the reconnection and interchange-dominant regions. On the other hand, reasonable cold plasma loss rate and outflow velocity can be obtained if the transport rate of the magnetic flux matches the reconnection rate, which supports reconnection alone as the dominant mechanism in unloading the cold plasma from the inner magnetosphere and returning the magnetic flux from the tail.

  10. A Global Assessment of Accelerations in Mass Transport of Surface Geophysical Fluid

    NASA Astrophysics Data System (ADS)

    Wu, X.; Heflin, M. B.

    2015-12-01

    Mass transport in the Earth's surface geophysical fluid layer has complex spatiotemporal patterns. The GRACE gravity mission provides an unprecedented global capability to monitor this important process with high accuracy and resolution. Accurate assessments of global mass transport patterns and budget also depend critically on changes in degree-1 coefficients (geocenter motion) and in Earth's dynamic oblateness coefficient J2. We combine GRACE measurements, time series of GNSS data, JPL's ECCO ocean bottom pressure model, and high-resolution loose a priori models of mass variation regimes to derive complete spherical harmonic spectra of detrended mass variations up to degree and order 180. Mass accelerations are estimated along with linear, annual, semiannual, and the 161-day tidal aliasing components from coefficient time series. The appropriateness of a priori information and estimate uncertainties are further evaluated by variance component estimation and residual statistics of fitting the time series. During the GRACE data period of 2002.2-2015.0, accelerations in mass transport are geographically uneven with significant positive or negative accelerations in various parts of the world. While Greenland and West Antarctica show strong accelerated mass losses, Alaska and the Arctic Ocean have significant positive accelerations with reversals of earlier mass loss trends. No evidence of non-Arctic global mean sea level acceleration due to mass has been found. Depending on region, some estimated accelerations are also not steady over time due to large irregular and interannual variations.

  11. Lipid-assisted protein transport: A diffusion-reaction model supported by kinetic experiments and molecular dynamics simulations

    NASA Astrophysics Data System (ADS)

    La Rosa, Carmelo; Scalisi, Silvia; Lolicato, Fabio; Pannuzzo, Martina; Raudino, Antonio

    2016-05-01

    The protein transport inside a cell is a complex phenomenon that goes through several difficult steps. The facilitated transport requires sophisticated machineries involving protein assemblies. In this work, we developed a diffusion-reaction model to simulate co-transport kinetics of proteins and lipids. We assume the following: (a) there is always a small lipid concentration of order of the Critical Micellar Concentration (CMC) in equilibrium with the membrane; (b) the binding of lipids to proteins modulates the hydrophobicity of the complexes and, therefore, their ability to interact and merge with the bilayer; and (c) some lipids leave the bilayer to replenish those bound to proteins. The model leads to a pair of integral equations for the time-evolution of the adsorbed proteins in the lipid bilayer. Relationships between transport kinetics, CMC, and lipid-protein binding constants were found. Under particular conditions, a perturbation analysis suggests the onset of kinks in the protein adsorption kinetics. To validate our model, we performed leakage measurements of vesicles composed by either high or low CMC lipids interacting with Islet Amyloid PolyPeptide (IAPP) and Aβ (1-40) used as sample proteins. Since the lipid-protein complex stoichiometry is not easily accessible, molecular dynamics simulations were performed using monomeric IAPP interacting with an increasing number of phospholipids. Main results are the following: (a) 1:1 lipid-protein complexes generally show a faster insertion rate proportional to the complex hydrophobicity and inversely related to lipid CMC; (b) on increasing the number of bound lipids, the protein insertion rate decreases; and (c) at slow lipids desorption rate, the lipid-assisted proteins transport might exhibit a discontinuous behavior and does non-linearly depend on protein concentration.

  12. Fragment mass and kinetic-energy distributions from spontaneous fission of the neutron-deficient isotopes, 1. 2-s /sup 246/Fm and 38-s /sup 248/Fm

    SciTech Connect

    Hoffman, D.; Lee, D.; Ghiorso, A.; Nurmia, M.; Aleklett, K.

    1980-10-01

    We have measured the mass and kinetic-energy distributions for fragments from the spontaneous fission of 1.2-s /sup 246/Fm and 38-s /sup 248/Fm. The mass distributions are highly asymmetric and the average total kinetic energies of 199 +- 4 MeV and 198 +- 4 MeV, respectively, are consistent with systematics for lower Z actinides. Their properties are in contrast to those of /sup 258/Fm and /sup 259/Fm, whose spontaneous fission results in narrowly symmetric mass distributions accompanied by unusually high total kinetic energies.

  13. Modeling Transport of Secondary Ion Fragments into a Mass Spectrometer

    NASA Astrophysics Data System (ADS)

    Warmenhoven, J.; Demarche, J.; Palitsin, V.; Kirkby, K. J.; Webb, R. P.

    The Surrey Ion Beam Centre was awarded the Engineering and Physical Sciences Research Council (EPSRC) grant for "Promoting Cross Disciplinary Research: Engineering and Physical Sciences and Social Sciences" allowing continued research into the characteristics of desorption of secondary ions by the impact of fast primary ions in the ambient pressure at the sub-micron scale. To carry out this research a new beamline has been constructed consisting of a time-of-flight secondary ion mass spectrometer combined with the current 2MV Tandem accelerator. This research has already returned many significant results such as the first simultaneous SIMS, PIXE and RBS measurement preformed on an organic sample in vacuum. However, further optimization and validation of the new beamline is still being worked on. This work focuses on the optimization of the end station geometry to allow for high sensitivity ambient pressure measurements. It is concluded that a common geometry can be adopted for a wide variety of smooth samples to ensure optimum sensitivity provided a hard edge of the sample can be found to place the mass spectrometer capillary near.

  14. Linear kinetic theory and particle transport in stochastic mixtures. Third year and final report, June 15, 1993--December 14, 1996

    SciTech Connect

    Pomraning, G.C.

    1997-05-01

    The goal in this research was to continue the development of a comprehensive theory of linear transport/kinetic theory in a stochastic mixture of solids and immiscible fluids. Such a theory should predict the ensemble average and higher moments, such as the variance, of the particle or energy density described by the underlying transport/kinetic equation. The statistics studied correspond to N-state discrete random variables for the interaction coefficients and sources, with N denoting the number of components in the mixture. The mixing statistics considered were Markovian as well as more general statistics. In the absence of time dependence and scattering, the theory is well developed and described exactly by the master (Liouville) equation for Markovian mixing, and by renewal equations for non-Markovian mixing. The intent of this research was to generalize these treatments to include both time dependence and scattering. A further goal of this research was to develop approximate, but simpler, models from any comprehensive theory. In particular, a specific goal was to formulate a renormalized transport/kinetic theory of the usual nonstochastic form, but with effective interaction coefficients and sources to account for the stochastic nature of the problem. In the three and one-half year period of research summarized in this final report, they have made substantial progress in the development of a comprehensive theory of kinetic processes in stochastic mixtures. This progress is summarized in 16 archival journal articles, 7 published proceedings papers, and 2 comprehensive review articles. In addition, 17 oral presentations were made describing these research results.

  15. The kinetics of selective biological transport. II. Equations for induced uphill transport of sugars in human erythrocytes.

    PubMed

    Miller, D M

    1965-07-01

    Equations describing the movement of sugars during induced uphill transport were derived on the assumption of a simple carrier transport mechanism and subjected to experimental verification. Since there was good agreement between the experimental points and the theoretical curves, no changes in the original postulates were required.

  16. Simulated kinetic effects of the corona and solar cycle on high altitude ion transport at Mars

    NASA Astrophysics Data System (ADS)

    Curry, S. M.; Liemohn, M.; Fang, X.; Brain, D.; Ma, Y.

    2013-06-01

    We present results from the Mars Test Particle (MTP) simulation as part of a community‒wide model comparison in order to quantify the role of different neutral atmospheric conditions in planetary ion transport and escape. This study examines the effects of individual ion motion by simulating particle trajectories for three cases: solar minimum without the neutral corona, solar minimum with the inclusion of the neutral corona, and solar maximum with the inclusion of the neutral corona. The MTP simulates 1.5 billion test particles through background electric and magnetic fields computed by a global magnetohydrodynamic model. By implementing virtual detectors in the simulation, the MTP has generated velocity space distributions of pickup ions and quantifies the ion acceleration at different spatial locations. The study found that the inclusion of a hot neutral corona greatly affects the total O+ production and subsequent loss, roughly doubling the total escape for solar minimum conditions and directly contributing to high energy sources above 10 keV. The solar cycle influences the amount of O+ flux observed by the virtual detectors, increasing the O+ flux and total escape by an order of magnitude from solar minimum to maximum. Additionally, solar maximum case induces greater mass loading of the magnetic fields, which decreases the gyroradius of the ions and redirects a significant ion population downtail to subsequently escape.

  17. Recent Advances in Detailed Chemical Kinetic Models for Large Hydrocarbon and Biodiesel Transportation Fuels

    SciTech Connect

    Westbrook, C K; Pitz, W J; Curran, H J; Herbinet, O; Mehl, M

    2009-03-30

    n-Hexadecane and 2,2,4,4,6,8,8-heptamethylnonane represent the primary reference fuels for diesel that are used to determine cetane number, a measure of the ignition property of diesel fuel. With the development of chemical kinetics models for these two primary reference fuels for diesel, a new capability is now available to model diesel fuel ignition. Also, we have developed chemical kinetic models for a whole series of large n-alkanes and a large iso-alkane to represent these chemical classes in fuel surrogates for conventional and future fuels. Methyl decanoate and methyl stearate are large methyl esters that are closely related to biodiesel fuels, and kinetic models for these molecules have also been developed. These chemical kinetic models are used to predict the effect of the fuel molecule size and structure on ignition characteristics under conditions found in internal combustion engines.

  18. Mass-height profile and total mass transport of wind eroded aeolian sediments from rangelands of the Indian Thar Desert

    NASA Astrophysics Data System (ADS)

    Mertia, R. S.; Santra, Priyabrata; Kandpal, B. K.; Prasad, R.

    2010-11-01

    Wind erosion is an active land degradation process in the Indian Thar Desert and severe dust storm events during hot summer months in the region are very common. Assessment of soil loss due to dust storm events from major land use systems of the Indian Thar Desert is highly essential for proper environmental planning. Characterization of the mass-height profile of wind eroded aeolian sediment is an important step to compute soil loss/mass transport but was not previously studied in the region. In the present study, aeolian mass fluxes (kg m -2) at different heights from soil surface were measured at two major rangelands in the Indian Thar Desert: Overgrazing rangeland at Jaisalmer (26°55'N and 70°57'E), and controlled grazing rangeland at Chandan (27°01'N and 71°01'E). Evaluation of several mass-height profile models revealed that a power decay function [ q( z) = az-b, where q( z) is the measured mass flux at an height of z (m) from soil surface; a and b are parameters of the equation] was best to characterize the mass-height relationship of aeolian sediments from the Indian Thar Desert. The average mass transport rate (kg m -1 day -1) or the total soil loss during hot summer months was significantly higher at the overgrazed rangeland site than at the controlled grazing rangeland site. Therefore, protection of existing rangelands, which comprise about 80% geographical area of the Indian Thar Desert may check the land degradation process due to wind erosion.

  19. Temporal variability of mass transport across Canary Islands Channels

    NASA Astrophysics Data System (ADS)

    Marrero-Díaz, Ángeles; Rodríguez-Santana, Ángel; José Machín, Francisco; García-Weil, Luis; Sangrà, Pablo; Vélez-Belchí, Pedro; Fraile-Nuez, Eugenio

    2014-05-01

    The equatorward flowing Canary Current (CC) is the main feature of the circulation in the Canary Islands region. The CC flow perturbation by the Canary Islands originate the Canary Eddy Corridor which is the major pathway for long lived eddies in the subtropical North Atlantic (Sangrà et al., 2009, DSR). Therefore the variability of the CC passing through the Canary Archipelago will have both local and regional importance. Past studies on the CC variability trough the Canary Islands point out a clearly seasonal variability (Fraile-Nuez et al, 2010 (JGR); Hernández-Guerra et al, 2002 (DSR)). However those studies where focused on the eastern islands channels missing the variability through the western island channels which are the main source of long lived eddies. In order to fill this gap from November 2012 until September 2013 we conducted trimonthly surveys crossing the whole islands channels using opportunity ships (Naviera Armas Ferries). XBT and XCTD where launched along the cross channels transects. Additionally a closed box circling the Archipelago was performed on October 2013 as part of the cruise RAPROCAN-2013 (IEO) using also XBT and XCTD. Dynamical variables where derived inferring salinity from S(T,p) analytical relationships for the region updated with new XCTD data. High resolution, vertical sections of temperature, potential density, geostrophic velocity and transport where obtained. Our preliminary results suggest that the CC suffer a noticeable acceleration in those islands channels where eddy shedding is more frequent. They also indicate a clearly seasonal variability of the flows passing the islands channels. With this regard we observed significant differences on the obtained seasonal variability with respect the cited past studies on the eastern islands channel (Lanzarote / Fuerteventura - Africa coast). This work was co-funded by Canary Government (TRAMIC project: PROID20100092) and the European Union (FEDER).

  20. Fram Strait and Greenland Sea transports, water masses, and water mass transformations 1999-2010 (and beyond)

    NASA Astrophysics Data System (ADS)

    Marnela, Marika; Rudels, Bert; Goszczko, Ilona; Beszczynska-Möller, Agnieszka; Schauer, Ursula

    2016-04-01

    The exchanges between the Nordic Seas and the Arctic Ocean are important for the ocean circulation and climate. Transports are here estimated using summer hydrographic data from the Greenland Sea and the Fram Strait. Geostrophic transports are computed from hydrographic sections at 75°N in the Greenland Sea and at about 79°N in the Fram Strait. Geostrophic velocities are adjusted with summer velocities derived from Argo floats, and four conservation constraints are applied to a box closed by the two sections. The estimated net volume transports are 0.8 ± 1.5 Sv southward. Net freshwater transports through the Greenland Sea section are estimated at 54 ± 20 mSv and through the Fram Strait section at 66 ± 9 mSv. Heat loss in the area between the two sections is estimated at 9 ± 12 TW. Convection depths in the Greenland Sea are estimated from observations and vary between about 200 and 2000 dbar showing no trend. Water mass properties in the Greenland Sea are affected both by convection and lateral mixing. Vertical mixing is estimated from hydrography and based on it about 1 Sv of diluted Arctic Ocean waters are estimated to enter the Greenland Sea. The properties of Atlantic, intermediate, and deep waters are studied. Deep water properties are defined using water mass triangles and are subject to decadal changes.

  1. Atmospheric pressure flow reactor / aerosol mass spectrometer studies of tropospheric aerosol nucleat and growth kinetics. Final report, June, 2001

    SciTech Connect

    Worsnop, Douglas R.

    2001-06-01

    The objective of this program was to determine the mechanisms and rates of growth and transformation and growth processes that control secondary aerosol particles in both the clear and polluted troposphere. The experimental plan coupled an aerosol mass spectrometer (AMS) with a chemical ionization mass spectrometer to provide simultaneous measurement of condensed and particle phases. The first task investigated the kinetics of tropospheric particle growth and transformation by measuring vapor accretion to particles (uptake coefficients, including mass accommodation coefficients and heterogeneous reaction rate coefficients). Other work initiated investigation of aerosol nucleation processes by monitoring the appearance of submicron particles with the AMS as a function of precursor gas concentrations. Three projects were investigated during the program: (1) Ozonolysis of oleic acid aerosols as model of chemical reactivity of secondary organic aerosol; (2) Activation of soot particles by measurement deliquescence in the presence of sulfuric acid and water vapor; (3) Controlled nucleation and growth of sulfuric acid aerosols.

  2. Equilibrium and kinetic aspects of sodium cromoglycate adsorption on chitosan: mass uptake and surface charging considerations.

    PubMed

    de Lima, C R M; Pereira, M R; Fonseca, J L C

    2013-09-01

    Chitosan has more and more been suggested as a material for use as adsorbent in the treatment of effluents as well as in the synthesis of drug-loaded nanoparticles for controlled release. In both cases, a good understanding of the process of adsorption, both kinetically and in terms of equilibrium, has an importance of its own. In this manuscript we study the interaction between sodium cromoglycate, a drug used in asthma treatment, and chitosan. Equilibrium experiments showed that Sips (or Freundlich-Langmuir) isotherm described well the resultant data and adsorption possibly occurred as in multilayers. A model based on ordinary reaction-rate theory, compounded of two processes, each one with a correlated velocity constant, described the kinetics of sorption. Kinetic and equilibrium data suggested the possibility of surface rearrangement, favored by the increase of temperature.

  3. A simple parameterization for the turbulent kinetic energy transport terms in the convective boundary layer derived from large eddy simulation

    NASA Astrophysics Data System (ADS)

    Puhales, Franciano Scremin; Rizza, Umberto; Degrazia, Gervásio Annes; Acevedo, Otávio Costa

    2013-02-01

    In this work a parametrization for the transport terms of the turbulent kinetic energy (TKE) budget equation, valid for a convective boundary layer (CBL) is presented. This is a hard task to accomplish from experimental data, especially because of the difficulty associated to the measurements of pressure turbulent fluctuations, which are necessary to determine the pressure correlation TKE transport term. Thus, employing a large eddy simulation (LES) a full diurnal planetary boundary layer (PBL) cycle was simulated. In this simulation a forcing obtained from experimental data is used, so that the numerical experiment represents a more realistic case than a stationary PBL. For this study all terms of the TKE budget equation were determined for a CBL. From these data, polynomials that describe the TKE transport terms’ vertical profiles were adjusted. The polynomials found are a good description of the LES data, and from them it is shown that a simple formulation that directly relates the transport terms to the TKE magnitude has advantages on other parameterizations commonly used in CBL numerical models. Furthermore, the present study shows that the TKE turbulent transport term dominates over the TKE transport by pressure perturbations and that for most of the CBL these two terms have opposite signs.

  4. Recent Developments in Graphene-Based Membranes: Structure, Mass-Transport Mechanism and Potential Applications.

    PubMed

    Sun, Pengzhan; Wang, Kunlin; Zhu, Hongwei

    2016-03-23

    Significant achievements have been made on the development of next-generation filtration and separation membranes using graphene materials, as graphene-based membranes can afford numerous novel mass-transport properties that are not possible in state-of-art commercial membranes, making them promising in areas such as membrane separation, water desalination, proton conductors, energy storage and conversion, etc. The latest developments on understanding mass transport through graphene-based membranes, including perfect graphene lattice, nanoporous graphene and graphene oxide membranes are reviewed here in relation to their potential applications. A summary and outlook is further provided on the opportunities and challenges in this arising field. The aspects discussed may enable researchers to better understand the mass-transport mechanism and to optimize the synthesis of graphene-based membranes toward large-scale production for a wide range of applications.

  5. Recent Developments in Graphene-Based Membranes: Structure, Mass-Transport Mechanism and Potential Applications.

    PubMed

    Sun, Pengzhan; Wang, Kunlin; Zhu, Hongwei

    2016-03-23

    Significant achievements have been made on the development of next-generation filtration and separation membranes using graphene materials, as graphene-based membranes can afford numerous novel mass-transport properties that are not possible in state-of-art commercial membranes, making them promising in areas such as membrane separation, water desalination, proton conductors, energy storage and conversion, etc. The latest developments on understanding mass transport through graphene-based membranes, including perfect graphene lattice, nanoporous graphene and graphene oxide membranes are reviewed here in relation to their potential applications. A summary and outlook is further provided on the opportunities and challenges in this arising field. The aspects discussed may enable researchers to better understand the mass-transport mechanism and to optimize the synthesis of graphene-based membranes toward large-scale production for a wide range of applications. PMID:26797529

  6. A PERFECT MATCH CONDITION FOR POINT-SET MATCHING PROBLEMS USING THE OPTIMAL MASS TRANSPORT APPROACH

    PubMed Central

    CHEN, PENGWEN; LIN, CHING-LONG; CHERN, I-LIANG

    2013-01-01

    We study the performance of optimal mass transport-based methods applied to point-set matching problems. The present study, which is based on the L2 mass transport cost, states that perfect matches always occur when the product of the point-set cardinality and the norm of the curl of the non-rigid deformation field does not exceed some constant. This analytic result is justified by a numerical study of matching two sets of pulmonary vascular tree branch points whose displacement is caused by the lung volume changes in the same human subject. The nearly perfect match performance verifies the effectiveness of this mass transport-based approach. PMID:23687536

  7. Mass transport at infinite regular arrays of microband electrodes submitted to natural convection: theory and experiments.

    PubMed

    Pebay, Cécile; Sella, Catherine; Thouin, Laurent; Amatore, Christian

    2013-12-17

    Mass transport at infinite regular arrays of microband electrodes was investigated theoretically and experimentally in unstirred solutions. Even in the absence of forced hydrodynamics, natural convection limits the convection-free domain up to which diffusion layers may expand. Hence, several regimes of mass transport may take place according to the electrode size, gap between electrodes, time scale of the experiment, and amplitude of natural convection. They were identified through simulation by establishing zone diagrams that allowed all relative contributions to mass transport to be delineated. Dynamic and steady-state regimes were compared to those achieved at single microband electrodes. These results were validated experimentally by monitoring the chronoamperometric responses of arrays with different ratios of electrode width to gap distance and by mapping steady-state concentration profiles above their surface through scanning electrochemical microscopy. PMID:24283775

  8. Mass transport during step motion on the silicon(111) (1x1) surface studied by low energy electron microscopy

    NASA Astrophysics Data System (ADS)

    Pang, Angbo

    Atomic steps are common defects at surfaces that can play an important role in many physical phenomena. Step morphology will be affected, or even dictated, by the kinetic processes that mediate growth and its inverse, sublimation. At the same time, competing coarsening processes will occur that depend crucially upon the step line tension through the Gibbs-Thomson relation. A proper description of step morphological phenomena therefore requires accurate knowledge of step line tension, as well as step kinetic parameters. The complex interplay between step kinetic and coarsening effects was investigated on the Si(111) (1x1) surface by examining step motion during island decay using low energy electron microscopy. These investigations provide quantitative information on the step line tension, kinetic length and step permeability. It is shown that the line tension decreases linearly with increasing temperature between 1145 K and 1233 K with a temperature coefficient of .0.14 meV/A K. The kinetic length is determined to be 75a at 1163K, where a is the lattice constant. This locates step motion firmly in the diffusion-limited regime. Steps are also determined to be impermeable in the context of diffusion limited step kinetics. We also find that the role of desorption in island decay increases dramatically in the temperature range (1145--1380 K) that island decay is studied. Consequently, we generalize the current model of island decay to take account of desorption. Evaluation of the island decay time with this model referenced to the temperature-dependent line tension accurately determines activation energies that are central to mass transport and sublimation. Similar investigations of vacancy island decay were also carried out. Surprisingly, island decay and vacancy island decay behavior cannot be explained consistently using any form of model that treats mass transport exclusively in terms of the diffusion of adatoms that are generated at steps. An adatom-vacancy decay

  9. What controls the mass transport by mode-2 internal solitary-like waves?

    NASA Astrophysics Data System (ADS)

    Deepwell, David; Stastna, Marek

    2016-04-01

    Horizontally propagating internal waves are a regular occurrence in the coastal ocean. Their most commonly observed vertical structure is mode-1 in which isopycnals rise and fall in concert at all depths. Second mode waves, where isopycnals expand from and contract toward the pycnocline centre, have been found in recent observations to occur more frequently than previously thought. For the more common convex configuration, these waves mix the pycnocline, and under certain conditions form recirculating cores which efficiently transport material. In the laboratory, mode-2 waves are easily formed by releasing a mixed region into an ambient stratification. Using high resolution, three dimensional, direct numerical simulations of a laboratory configuration we describe the mass transport efficiency of mode-2 waves under a variety of different parameter regimes and initializations. We identify pycnocline configurations for which transport is especially efficient, and explore the structure of recirculating cores during their formation, propagation and disintegration and its implications on mass transport.

  10. Mass Transport and Turbulence in Gravitationally Unstable Disk Galaxies. II: The Effects of Star Formation Feedback

    NASA Astrophysics Data System (ADS)

    Goldbaum, Nathan J.; Krumholz, Mark R.; Forbes, John C.

    2016-08-01

    Self-gravity and stellar feedback are capable of driving turbulence and transporting mass and angular momentum in disk galaxies, but the balance between them is not well understood. In the previous paper in this series, we showed that gravity alone can drive turbulence in galactic disks, regulate their Toomre Q parameters to ˜1, and transport mass inwards at a rate sufficient to fuel star formation in the centers of present-day galaxies. In this paper we extend our models to include the effects of star formation feedback. We show that feedback suppresses galaxies’ star formation rates by a factor of ˜5 and leads to the formation of a multi-phase atomic and molecular interstellar medium. Both the star formation rate and the phase balance produced in our simulations agree well with observations of nearby spirals. After our galaxies reach steady state, we find that the inclusion of feedback actually lowers the gas velocity dispersion slightly compared to the case of pure self-gravity, and also slightly reduces the rate of inward mass transport. Nevertheless, we find that, even with feedback included, our galactic disks self-regulate to Q ˜ 1, and transport mass inwards at a rate sufficient to supply a substantial fraction of the inner disk star formation. We argue that gravitational instability is therefore likely to be the dominant source of turbulence and transport in galactic disks, and that it is responsible for fueling star formation in the inner parts of galactic disks over cosmological times.

  11. Geomorphological characteristics and variability of Holocene mass-transport complexes, St. Lawrence River Estuary, Canada

    NASA Astrophysics Data System (ADS)

    Pinet, Nicolas; Brake, Virginia; Campbell, Calvin; Duchesne, Mathieu J.

    2015-01-01

    Recently acquired multibeam bathymetry data are used to investigate seafloor instability features along a 310 km-long segment of the St. Lawrence River Estuary. The analysis of this dataset indicates that submarine slides occur over a much larger area than previously recognized and that Holocene sediments are reworked by mass-transport along significant portions of both the northwest and southeast margins of the Laurentian Channel. In the surveyed area, 96 individual mass-transport complexes (MTCs) were identified representing 13% of the seabed. MTCs vary in area from less than 1 km2 to more than 40 km2 and exhibit various geomorphological signatures. Qualitative observation reveals an apparent disparity between MTCs that remain coherent and those that disintegrate during downslope transport evolving into a blocky morphological signature. For all MTCs, morphological parameters have been measured (area, length, and height) or calculated (slope and roughness). This quantitative analysis provides a unique opportunity to study these parameters in a statistically significant and homogeneous dataset located in a relatively small area that experienced a similar Quaternary history. In many cases, mass transport events appear to initiate in the vicinity of steep bedrock walls located along some segments of the estuary. The timing of mass-transport events was not constrained during this study. However, the fact that the region hosts the Charlevoix seismic zone, the most tectonically active area in eastern Canada, strongly suggests that earthquakes acted as a trigger for submarine landsliding.

  12. Effects of carbon dioxide hydration kinetics and evaporative convection on pH profile development during interfacial mass transfer of ammonia and carbon dioxide

    NASA Astrophysics Data System (ADS)

    Hafner, Sasha D.; Sommer, Sven G.; Petersen, Valdemar; Markfoged, Rikke

    2016-09-01

    Interfacial mass transfer of {NH}_3 and {CO}_2 are important in processes as diverse as {NH}_3 emission from animal manure and gas scrubbing for removal of carbon dioxide. Predicting transfer rates is complicated by bidirectional interactions between solution pH and emission rates, which may be affected by physical, chemical, and biological processes. We studied the effects of {CO}_2 hydration kinetics and evaporative convection on the development of pH profiles in solutions undergoing simultaneous emission of {NH}_3 and {CO}_2 . Profiles of pH were measured at a 0.1 mm resolution over 15 h, and interpreted using a reaction-transport model. Under high humidity, surface pH increased quickly (>0.2 units in 8 min) and an increase gradually extended to deeper depths. An increase in {CO}_2 hydration and carbonic acid dehydration rates by addition of carbonic anhydrase increased the elevation of surface pH and the depth to which an increase extended, due to an increase in {CO}_2 emission. Results show that unless carbonic anhydrase is present, the equilibrium approach typically used for modeling interfacial transport of {CO}_2 and {NH}_3 will be inaccurate. Evaporation and resulting convection greatly increased mass transfer rates below an apparent surface film about 1 mm thick. Emission or absorption of {CO}_2 can produce steep gradients in pH over small distances (<0.5 to >20 mm) in systems with and without convective mixing, and the resulting surface pH, in turn, strongly affects {NH}_3 transfer. Both convection and the rate of hydration/dehydration reactions are likely to affect pH profile development and rates of {NH}_3 and {CO}_2 transfer in many systems. Accurately predicting mass transfer rates for these systems will require an understanding of these processes in the systems.

  13. Effects of carbon dioxide hydration kinetics and evaporative convection on pH profile development during interfacial mass transfer of ammonia and carbon dioxide

    NASA Astrophysics Data System (ADS)

    Hafner, Sasha D.; Sommer, Sven G.; Petersen, Valdemar; Markfoged, Rikke

    2016-09-01

    Interfacial mass transfer of NH_3 and CO_2 are important in processes as diverse as NH_3 emission from animal manure and gas scrubbing for removal of carbon dioxide. Predicting transfer rates is complicated by bidirectional interactions between solution pH and emission rates, which may be affected by physical, chemical, and biological processes. We studied the effects of CO_2 hydration kinetics and evaporative convection on the development of pH profiles in solutions undergoing simultaneous emission of NH_3 and CO_2 . Profiles of pH were measured at a 0.1 mm resolution over 15 h, and interpreted using a reaction-transport model. Under high humidity, surface pH increased quickly (>0.2 units in 8 min) and an increase gradually extended to deeper depths. An increase in CO_2 hydration and carbonic acid dehydration rates by addition of carbonic anhydrase increased the elevation of surface pH and the depth to which an increase extended, due to an increase in CO_2 emission. Results show that unless carbonic anhydrase is present, the equilibrium approach typically used for modeling interfacial transport of CO_2 and NH_3 will be inaccurate. Evaporation and resulting convection greatly increased mass transfer rates below an apparent surface film about 1 mm thick. Emission or absorption of CO_2 can produce steep gradients in pH over small distances (<0.5 to >20 mm) in systems with and without convective mixing, and the resulting surface pH, in turn, strongly affects NH_3 transfer. Both convection and the rate of hydration/dehydration reactions are likely to affect pH profile development and rates of NH_3 and CO_2 transfer in many systems. Accurately predicting mass transfer rates for these systems will require an understanding of these processes in the systems.

  14. Mass and momentum turbulent transport experiments with confined swirling coaxial jets

    NASA Technical Reports Server (NTRS)

    Roback, R.; Johnson, B. V.

    1983-01-01

    Swirling coaxial jets mixing downstream, discharging into an expanded duct was conducted to obtain data for the evaluation and improvement of turbulent transport models currently used in a variety of computational procedures throughout the combustion community. A combination of laser velocimeter (LV) and laser induced fluorescence (LIF) techniques was employed to obtain mean and fluctuating velocity and concentration distributions which were used to derive mass and momentum turbulent transport parameters currently incorporated into various combustor flow models. Flow visualization techniques were also employed to determine qualitatively the time dependent characteristics of the flow and the scale of turbulence. The results of these measurements indicated that the largest momentum turbulent transport was in the r-z plane. Peak momentum turbulent transport rates were approximately the same as those for the nonswirling flow condition. The mass turbulent transport process for swirling flow was complicated. Mixing occurred in several steps of axial and radial mass transport and was coupled with a large radial mean convective flux. Mixing for swirling flow was completed in one-third the length required for nonswirling flow.

  15. 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.

  16. Mass transport properties of Pu/DT mixtures from orbital free molecular dynamics simulations

    SciTech Connect

    Kress, Joel David; Ticknor, Christopher; Collins, Lee A.

    2015-09-16

    Mass transport properties (shear viscosity and diffusion coefficients) for Pu/DT mixtures were calculated with Orbital Free Molecular Dynamics (OFMD). The results were fitted to simple functions of mass density (for ρ=10.4 to 62.4 g/cm3) and temperature (for T=100 up to 3,000 eV) for Pu/DT mixtures consisting of 100/0, 25/75, 50/50, and 75/25 by number.

  17. Kinetic transport model for cellular regulation of pH and solute concentration in the renal proximal tubule.

    PubMed Central

    Verkman, A S; Alpern, R J

    1987-01-01

    An open circuit kinetic model was developed to calculate the time course of proximal tubule cell pH, solute concentrations, and volume in response to induced perturbations in luminal or peritubular fluid composition. Solute fluxes were calculated from electrokinetic equations containing terms for known carrier saturabilities, allosteric dependences, and ion coupling ratios. Apical and basolateral membrane potentials were determined iteratively from the requirements of cell electroneutrality and equal opposing transcellular and paracellular currents. The model converged to membrane potentials accurate to 0.05% in one to four iterations. Model variables included cell concentrations of Na, K, HCO3, glucose, pH (uniform CO2), volume, and apical and basolateral membrane potentials. The basic model contained passive apical membrane transport of Na/H, Na/glucose, H and K, basolateral transport of Na/3HCO3, K, H, and glucose, and paracellular transport of Na, K, Cl, and HCO3; apical H and basolateral 3Na/2K-ATPases were present. Apical Na/H and basolateral K transport were regulated allosterically by pH. Apical Na/H transport, basolateral Na/3HCO3 transport, and the 3Na/2K-ATPase were saturable. Model parameters were chosen from data in the rat proximal tubule. Model predictions for the magnitude and time course of cell pH, Na, and membrane potential in response to rapid changes in apical and peritubular Na and HCO3 were in excellent agreement with experiment. In addition, the model requires that there exist an apical H-ATPase, basolateral Na/3HCO3 transport saturable with HCO3, and electroneutral basolateral K transport. PMID:3580482

  18. The water mass structure and transports in the Atlantic Subpolar Gyre

    NASA Astrophysics Data System (ADS)

    García-Ibáñez, Maribel I.; Pardo, Paula C.; Carracedo, Lidia I.; Mercier, Herlé; Lherminier, Pascale; Ríos, Aida F.; Pérez, Fiz F.

    2014-05-01

    The water mass structure, mixing and spreading in the North Atlantic Subpolar Gyre (SPG) were analyzed by means of an extended Optimum MultiParameter (eOMP) approach over the six repeats of the WOCE A25 hydrographic line located at the southern boundary of this gyre. The data includes the Fourex (4x) line taken in 1997 and the five repeat sections of the OVIDE line taken every other year from 2002 to 2010. We proposed 10 water masses, defined by their thermohaline properties (potential temperature and salinity), oxygen and nutrients (nitrate, phosphate and silicate), to resolve the water mass structure of the SPG. The eOMP enables to decompose the transports by water mass quantitatively. Our model provides water mass distributions that are able to reproduce the input data of potential temperature, salinity and silicate with r2>0.997 and of oxygen, nitrate and phosphate with r2>0.96. By combining the velocity field and the water mass structure across each section we provide the relative contribution of each water mass to the Meridional Overturning Circulation (MOC) and we evaluate the water mass transformation in the North Atlantic. The MOC upper limb during OVIDE (2002-2010) is constituted by the northward transports of the central waters (9.4 Sv; 1 Sv = 106 m3 s-1), the Subarctic Intermediate Water (SAIW, 2.8 Sv) and the Subpolar Mode Water (SPMW) of the Iceland Basin (2.1 Sv). The MOC lower limb is constituted by the southward transports of the Iceland-Scotland Overflow Water (ISOW, 2.9 Sv), the Denmark Strait Overflow Water (DSOW, 2.5 Sv), the Polar Intermediate Water (PIW, 0.8 Sv), the Labrador Sea Water (LSW, 3.6 Sv) and the SPMW of the Irminger Sea (4.7 Sv). These results contrast with those obtained for the 1997, cruise developed after a period of high NAO index. The greater MOC strength in 1997 resulted in greater northward transports of central waters (17.5 Sv), while the SAIW transports remained approximately unchanged. The increase of the northward

  19. Kinetic Analysis of [11C]McN5652: A Serotonin Transporter Radioligand

    PubMed Central

    Szabo, Zsolt; Scheffel, Ursula; Mathews, William B.; Ravert, Hayden T.; Szabo, Katalina; Kraut, Michael; Palmon, Sally; Ricaurte, George A.; Dannals, Robert F.

    2007-01-01

    Summary The impulse response function of a radioligand is the most fundamental way to describe its pharmacokinetics and to assess its tissue uptake and retention pattern. This study investigates the impulse response function of [11C](+)McN5652, a radioligand used for positron emission tomography (PET) imaging of the serotonin transporter (SERT) in the brain. Dynamic PET studies were performed in eight healthy volunteers injected with [11C](+)McN5652 and subsequently with its pharmacologically inactive enantiomer [11C](−)McN5652. The impulse response function was calculated by deconvolution analysis of regional time-activity curves, and its peak value (fmax), its retention value at 75 minutes (fT), and its normalized retention (frel = fr/fmax) were obtained. Alternatively, compartmental models were applied to calculate the apparent total distribution volume (DVT) and its specific binding component (DVS). Both the noncompartmental (fT, frel) and the compartmental parameters (DV) were investigated with and without correction for nonspecific binding by simple subtraction of the corresponding value obtained with [11C](−)McN5652. The impulse response function obtained by deconvolution analysis demonstrated high tracer extraction followed by a slow decline in the form of a monoexponential function. Statistical analysis revealed that the best compartmental model in terms of analysis of variance F and condition number of the parameter variance-covariance matrix was the one that was based on a single tissue compartment with parameters k1and k2 and that also included the parameter of regional cerebral blood volume (BV). The parameter frel demonstrated low between-subject variance (coefficient of variation [CV] = 19%), a midbrain to cerebellum ratio of 1.85, and high correlation with the known density of SERT (r = 0.787 where r is the coefficient of linear correlation between the parameter and the known density of SERT). After correction for nonspecific binding, frel

  20. A protocol for the measurement of all the parameters of the mass transfer kinetics in columns used in liquid chromatography

    SciTech Connect

    Gritti, Fabrice; Guiochon, Georges A

    2010-01-01

    Band broadening in chromatography results from the combination of the dispersive effects that are associated with the different steps involved in the migration of compound bands along the column. These steps include longitudinal diffusion, trans-particle mass transfer, external film mass transfer, overall eddy diffusion, including trans-column, short-range inter-channel, trans-channel eddy diffusion, and the possible, additional mass transfer contributions arising from heat friction and the thermal heterogeneity of the column. We describe a series of experiments that provide the data needed to determine the coefficients of the contributions to band broadening of each one of these individual mass transfer steps. This specifically designed protocol can provide key information regarding the kinetic performance of columns used in liquid chromatography and explain why different columns behave so differently. The limitations, accuracy and precision of these methods are discussed. Further avenues of research that could improve the characterization of the mass transfer mechanisms in chromatographic columns, possibly contributing to the development of better columns, are suggested.

  1. Non-local kinetic transport studies of a field reversed configuration

    SciTech Connect

    Choi, Chan K.

    1990-01-01

    During this past period a computer code was developed to determine the global kinetic linear stability for a 1-D Field-Reversed Configuration (FRC). This report will describe the physical assumptions used to model the plasma, the equations solved by the code, the numerical analysis for certain aspects of the code, and some preliminary results from the code.

  2. Kinetic analysis of butyrate transport in human colon adenocarcinoma cells reveals two different carrier-mediated mechanisms.

    PubMed

    Lecona, Emilio; Olmo, Nieves; Turnay, Javier; Santiago-Gómez, Angélica; López de Silanes, Isabel; Gorospe, Myriam; Lizarbe, M Antonia

    2008-01-01

    Butyrate has antitumorigenic effects on colon cancer cells, inhibits cell growth and promotes differentiation and apoptosis. These effects depend on its intracellular concentration, which is regulated by its transport. We have analysed butyrate uptake kinetics in human colon adenocarcinoma cells sensitive to the apoptotic effects of butyrate (BCS-TC2, Caco-2 and HT-29), in butyrate-resistant cells (BCS-TC2.BR2) and in normal colonic cells (FHC). The properties of transport were analysed with structural analogues, specific inhibitors and different bicarbonate and sodium concentrations. Two carrier-mediated mechanisms were detected: a low-affinity/high-capacity (K(m)=109+/-16 mM in BCS-TC2 cells) anion exchanger and a high-affinity/low-capacity (K(m)=17.9+/-4.0 microM in BCS-TC2 cells) proton-monocarboxylate co-transporter that was energy-dependent and activated via PKCdelta (protein kinase Cdelta). All adenocarcinoma cells analysed express MCT (monocarboxylate transporter) 1, MCT4, ancillary protein CD147 and AE2 (anion exchanger 2). Silencing experiments show that MCT1, whose expression increases with butyrate treatment in butyrate-sensitive cells, plays a key role in high-affinity transport. Low-affinity uptake was mediated by a butyrate/bicarbonate antiporter along with a possible contribution of AE2 and MCT4. Butyrate treatment increased uptake in a time- and dose-dependent manner in butyrate-sensitive but not in butyrate-resistant cells. The two butyrate-uptake activities in human colon adenocarcinoma cells enable butyrate transport at different physiological conditions to maintain cell functionality. The high-affinity/low-capacity transport functions under low butyrate concentrations and may be relevant for the survival of carcinoma cells in tumour regions with low glucose and butyrate availability as well as for the normal physiology of colonocytes.

  3. Mean Flow Velocities and Mass Transport for Equatorially-Trapped Water Waves with an Underlying Current

    NASA Astrophysics Data System (ADS)

    Henry, David; Sastre-Gomez, Silvia

    2016-04-01

    In this paper we present an analysis of the mean flow velocities, and related mass transport, which are induced by certain equatorially-trapped water waves. In particular, we examine a recently-derived exact and explicit solution to the geophysical governing equations in the {β} -plane approximation at the equator which incorporates a constant underlying current.

  4. Measurements of Combined Axial Mass and Heat Transport in He II.

    ERIC Educational Resources Information Center

    Johnson, Warren W.; Jones, Michael C.

    An experiment was performed that allowed measurements of both axial mass and heat transport of He-II (the superfluid phase of helium 4) in a long tube. The apparatus allowed the pressure difference and the temperature difference across the flow tube to each be independently adjusted, and the resulting steady-state values of net fluid velocity and…

  5. Momentum and mass transport over a superhydrophobic bubble mattress: the influence of interface geometry

    NASA Astrophysics Data System (ADS)

    Tsai, Peichun Amy; Haase, A. Sander; Karatay, Elif; Lammertink, Rob; Soft Matter, Fluidics; Interfaces Group Team

    2013-11-01

    We numerically investigate the influence of interface geometry on momentum and mass transport on a partially slippery bubble mattress. The bubble mattress, forming a superhydrophobic substrate, consists of an array of slippery (shear-free) gas bubbles with (no-slip) solids walls in between. We consider steady pressure-driven laminar flow over the bubble mattress, with a solute being supplied from the gas bubbles. The results show that solute transport can be enhanced significantly due to effective slippage, compared to a fully saturated no-slip wall. The enhancement depends on the interface geometry of the bubble mattress, i.e. on the bubble size, protrusion angle, and surface porosity. In addition, we demonstrate that the mass transfer enhancement disappears below a critical bubble size. The effective slip vanishes for very small bubbles, whereby interfacial transport becomes diffusion dominated. For large bubbles, solute transport near the interface is greatly enhanced by convection. The results provide insight into the optimal design of ultra-hydrophobic bubble mattresses to enhance both momentum and mass transport.

  6. A coupled transport and solid mechanics formulation with improved reaction kinetics parameters for modeling oxidation and decomposition in a uranium hydride bed.

    SciTech Connect

    Salloum, Maher N.; Shugard, Andrew D.; Kanouff, Michael P.; Gharagozloo, Patricia E.

    2013-03-01

    Modeling of reacting flows in porous media has become particularly important with the increased interest in hydrogen solid-storage beds. An advanced type of storage bed has been proposed that utilizes oxidation of uranium hydride to heat and decompose the hydride, releasing the hydrogen. To reduce the cost and time required to develop these systems experimentally, a valid computational model is required that simulates the reaction of uranium hydride and oxygen gas in a hydrogen storage bed using multiphysics finite element modeling. This SAND report discusses the advancements made in FY12 (since our last SAND report SAND2011-6939) to the model developed as a part of an ASC-P&EM project to address the shortcomings of the previous model. The model considers chemical reactions, heat transport, and mass transport within a hydride bed. Previously, the time-varying permeability and porosity were considered uniform. This led to discrepancies between the simulated results and experimental measurements. In this work, the effects of non-uniform changes in permeability and porosity due to phase and thermal expansion are accounted for. These expansions result in mechanical stresses that lead to bed deformation. To describe this, a simplified solid mechanics model for the local variation of permeability and porosity as a function of the local bed deformation is developed. By using this solid mechanics model, the agreement between our reacting bed model and the experimental data is improved. Additionally, more accurate uranium hydride oxidation kinetics parameters are obtained by fitting the experimental results from a pure uranium hydride oxidation measurement to the ones obtained from the coupled transport-solid mechanics model. Finally, the coupled transport-solid mechanics model governing equations and boundary conditions are summarized and recommendations are made for further development of ARIA and other Sandia codes in order for them to sufficiently implement the model.

  7. Two-site kinetic modeling of bacteriophages transport through columns of saturated dune sand.

    PubMed

    Schijven, Jack F; Hassanizadeh, S Majid; de Bruin, Ria H A M

    2002-08-01

    Breakthrough curves, on a semi-log scale, from tests in porous media with block-input of viruses, bacteria, protozoa and colloidal particles often exhibit a typical skewness: a rather slowly rising limb and a smooth transition of a declining limb to a very long tail. One-site kinetic models fail to fit the rising and declining limbs together with the tail satisfactorily. Inclusion of an equilibrium adsorption site does not seem to improve simulation results. This was encountered in the simulation of breakthrough curves from a recent field study on the removal of bacteriophages MS2 and PRD1 by passage through dune sand. In the present study, results of laboratory experiments for the study of this issue are presented. Breakthrough curves of salt and bacteriophages MS2, PRDI, and phiX174 in 1 D column experiments have been measured. One- and two-site kinetic models have been applied to fit and predict breakthrough curves from column experiments. The two-site model fitted all breakthrough curves very satisfactorily, accounting for the skewness of the rising limb as well as for the smooth transition of the declining limb to the tail of the breakthrough curve. The one-site model does not follow the curvature of the breakthrough tail, leading to an overestimation of the inactivation rate coefficient for attached viruses. Interaction with kinetic site 1 is characterized by relatively fast attachment and slow detachment, whereas attachment to and detachment from kinetic site 2 is fast. Inactivation of viruses and interaction with kinetic site 2 provide only a minor contribution to removal. Virus removal is mainly determined by the attachment to site 1. Bacteriophage phiX174 attached more than MS2 and PRD1, which can be explained by the greater electrostatic repulsion that MS2 and PRD1 experience compared to the less negatively charged phiX174. PMID:12180812

  8. Two-site kinetic modeling of bacteriophages transport through columns of saturated dune sand

    NASA Astrophysics Data System (ADS)

    Schijven, Jack F.; Hassanizadeh, S. Majid; de Bruin, Ria H. A. M.

    2002-08-01

    Breakthrough curves, on a semi-log scale, from tests in porous media with block-input of viruses, bacteria, protozoa and colloidal particles often exhibit a typical skewness: a rather slowly rising limb and a smooth transition of a declining limb to a very long tail. One-site kinetic models fail to fit the rising and declining limbs together with the tail satisfactorily. Inclusion of an equilibrium adsorption site does not seem to improve simulation results. This was encountered in the simulation of breakthrough curves from a recent field study on the removal of bacteriophages MS2 and PRD1 by passage through dune sand. In the present study, results of laboratory experiments for the study of this issue are presented. Breakthrough curves of salt and bacteriophages MS2, PRD1, and φX174 in 1D column experiments have been measured. One- and two-site kinetic models have been applied to fit and predict breakthrough curves from column experiments. The two-site model fitted all breakthrough curves very satisfactorily, accounting for the skewness of the rising limb as well as for the smooth transition of the declining limb to the tail of the breakthrough curve. The one-site model does not follow the curvature of the breakthrough tail, leading to an overestimation of the inactivation rate coefficient for attached viruses. Interaction with kinetic site 1 is characterized by relatively fast attachment and slow detachment, whereas attachment to and detachment from kinetic site 2 is fast. Inactivation of viruses and interaction with kinetic site 2 provide only a minor contribution to removal. Virus removal is mainly determined by the attachment to site 1. Bacteriophage φX174 attached more than MS2 and PRD1, which can be explained by the greater electrostatic repulsion that MS2 and PRD1 experience compared to the less negatively charged φX174.

  9. Kinetic compartmental analysis of carnitine metabolism in the human carnitine deficiency syndromes. Evidence for alterations in tissue carnitine transport.

    PubMed Central

    Rebouche, C J; Engel, A G

    1984-01-01

    The human primary carnitine deficiency syndromes are potentially fatal disorders affecting children and adults. The molecular etiologies of these syndromes have not been determined. In this investigation, we considered the hypothesis that these syndromes result from defective transport of carnitine into tissues, particularly skeletal muscle. The problem was approached by mathematical modeling, by using the technique of kinetic compartmental analysis. A tracer dose of L-[methyl-3H]carnitine was administered intravenously to six normal subjects, one patient with primary muscle carnitine deficiency (MCD), and four patients with primary systemic carnitine deficiency (SCD). Specific radioactivity was followed in plasma for 28 d. A three-compartment model (extracellular fluid, muscle, and "other tissues") was adopted. Rate constants, fluxes, pool sizes, and turnover times were calculated. Results of these calculations indicated reduced transport of carnitine into muscle in both forms of primary carnitine deficiency. However, in SCD, the reduced rate of carnitine transport was attributed to reduced plasma carnitine concentration. In MCD, the results are consistent with an intrinsic defect in the transport process. Abnormal fluctuations of the plasma carnitine, but of a different form, occurred in MCD and SCD. The significance of these are unclear, but in SCD they suggest abnormal regulation of the muscle/plasma carnitine concentration gradient. In 8 of 11 subjects, carnitine excretion was less than dietary carnitine intake. Carnitine excretion rates calculated by kinetic compartmental analysis were higher than corresponding rates measured directly, indicating degradation of carnitine. However, we found no radioactive metabolites of L-[methyl-3H]carnitine in urine. These observations suggest that dietary carnitine was metabolized in the gastrointestinal tract. PMID:6707204

  10. Focused transport of energetic particles along magnetic field lines draped around a coronal mass ejection

    NASA Technical Reports Server (NTRS)

    Tan, L. C.; Mason, G. M.; Lee, M. A.; Klecker, B.; Ipavich, F. M.

    1992-01-01

    Evidence is presented for focused transport of energetic particles along magnetic field lines draped around a coronal mass ejection. This evidence was obtained with the University of Maryland/Max-Planck-Institute experiment on the ISEE-3 spacecraft during the decay phase of the June 6, 1979, solar particle event. During the early portion of the decay phase of this event, interplanetary magnetic field lines were apparently draped around a coronal mass ejection, leading to a small focusing length on the western flank where ISEE 3 was located. A period of very slow decrease of particle intensity was observed, along with large sunward anisotropy in the solar wind frame, which is inconsistent with predictions of the standard Fokker-Planck equation models for diffusive transport. It was found possible to fit the observations, assuming that focused transport dominates and that the particle pitch angle scattering is isotropic.

  11. Model simulation and experiments of flow and mass transport through a nano-material gas filter

    SciTech Connect

    Yang, Xiaofan; Zheng, Zhongquan C.; Winecki, Slawomir; Eckels, Steve

    2013-11-01

    A computational model for evaluating the performance of nano-material packed-bed filters was developed. The porous effects of the momentum and mass transport within the filter bed were simulated. For the momentum transport, an extended Ergun-type model was employed and the energy loss (pressure drop) along the packed-bed was simulated and compared with measurement. For the mass transport, a bulk dsorption model was developed to study the adsorption process (breakthrough behavior). Various types of porous materials and gas flows were tested in the filter system where the mathematical models used in the porous substrate were implemented and validated by comparing with experimental data and analytical solutions under similar conditions. Good agreements were obtained between experiments and model predictions.

  12. Mass transport in a porous microchannel for non-Newtonian fluid with electrokinetic effects.

    PubMed

    Mondal, Sourav; De, Sirshendu

    2013-03-01

    Quantification of mass transfer in porous microchannel is of paramount importance in several applications. Transport of neutral solute in presence of convective-diffusive EOF having non-Newtonian rheology, in a porous microchannel was presented in this article. The governing mass transfer equation coupled with velocity field was solved along with associated boundary conditions using a similarity solution method. An analytical solution of mass transfer coefficient and hence, Sherwood number were derived from first principles. The corresponding effects of assisting and opposing pressure-driven flow and EOF were also analyzed. The influence of wall permeation, double-layer thickness, rheology, etc. on the mass transfer was also investigated. Permeation at the wall enhanced the mass transfer coefficient more than five times compared to impervious conduit in case of pressure-driven flow assisting the EOF at higher values of κh. Shear thinning fluid exhibited more enhancement of Sherwood number in presence of permeation compared to shear thickening one. The phenomenon of stagnation was observed at a particular κh (∼2.5) in case of EOF opposing the pressure-driven flow. This study provided a direct quantification of transport of a neutral solute in case of transdermal drug delivery, transport of drugs from blood to target region, etc. PMID:23192435

  13. Mass transport in a porous microchannel for non-Newtonian fluid with electrokinetic effects.

    PubMed

    Mondal, Sourav; De, Sirshendu

    2013-03-01

    Quantification of mass transfer in porous microchannel is of paramount importance in several applications. Transport of neutral solute in presence of convective-diffusive EOF having non-Newtonian rheology, in a porous microchannel was presented in this article. The governing mass transfer equation coupled with velocity field was solved along with associated boundary conditions using a similarity solution method. An analytical solution of mass transfer coefficient and hence, Sherwood number were derived from first principles. The corresponding effects of assisting and opposing pressure-driven flow and EOF were also analyzed. The influence of wall permeation, double-layer thickness, rheology, etc. on the mass transfer was also investigated. Permeation at the wall enhanced the mass transfer coefficient more than five times compared to impervious conduit in case of pressure-driven flow assisting the EOF at higher values of κh. Shear thinning fluid exhibited more enhancement of Sherwood number in presence of permeation compared to shear thickening one. The phenomenon of stagnation was observed at a particular κh (∼2.5) in case of EOF opposing the pressure-driven flow. This study provided a direct quantification of transport of a neutral solute in case of transdermal drug delivery, transport of drugs from blood to target region, etc.

  14. Effect of ohmic, mass-transfer, and kinetic resistances on linear-sweep voltammetry in a cylindrical-pore electrode

    NASA Technical Reports Server (NTRS)

    Weidner, John W.; Fedkiw, Peter S.

    1991-01-01

    A means is presented to account for the effect of ohmic, mass-transfer, and kinetic resistances on linear-sweep voltammograms by modeling a pore in a porous matrix as a cylindrical-pore electrode, and solving the mass and charge conservation equations in the context of this geometry for the simply redox reaction O + ne(-) yield R where both O and R are soluble species. Both analytical and numerical techniques are used to solve the governing equations. The calculated peak currents and potentials are correlated by empirical formulas to the measurable parameters: sweep rate, concentration of the redox species, diffusion coefficient, conductivity of the electrolyte, and pore dimensions. Using the correlations, a methodology is established for determining if the redox reaction kinetics are irreversible or reversible (Nernstian). If the reaction is irreversible, it is shown how the standard rate constant and the transfer coefficient may be extracted from linear-sweep voltammetry data, or, if the reaction is reversible, how the number of electrons transferred may be deduced.

  15. Kinetics, mass transfer and hydrodynamics in a packed bed aerobic reactor fed with anaerobically treated domestic sewage.

    PubMed

    Fazolo, A; Pasotto, M B; Foresti, E; Zaiat, M

    2006-10-01

    This study presents an assessment of the kinetic, mass transfer and hydrodynamic parameters of a pilot-scale fixed bed reactor containing immobilized biomass in polyurethane matrices and fed with the effluent of a horizontal-flow fixed bed anaerobic reactor, which was used to treat domestic sewage. It was found that the liquid-solid and intra-particle mass transfer resistances significantly affected the overall oxygen consumption rate and that mechanical agitation could minimize such resistances. The volumetric oxygen transfer coefficient (kLa) values for superficial air velocities between 8.4 cm min(-1) and 57.0 cm min(-1) varied from 20.8 h(-1) to 58.8 h(-1) for tap water, and 16.8 h(-1) to 53.0 h(-1) for the anaerobic pre-treated effluent. The intrinsic oxygen uptake rate was estimated to be 19.9 mgO2 gVSS(-1) h(-1). A first-order kinetic model with residual concentration was considered to adequately represent the COD removal rate, whereas nitrogen conversion was considered to be well represented by a model of pseudo-first-order reaction in series. It was also found that the ammonium conversion to nitrite was the limiting step of the overall nitrogen conversion rate. The hydrodynamic behavior of the reactor was represented by three to four completely mixed reactors in series.

  16. Mass-conserving tracer transport modelling on a reduced latitude-longitude grid

    NASA Astrophysics Data System (ADS)

    Belikov, D.; Maksyutov, S.; Miyasaka, T.; Saeki, T.; Zhuravlev, R.; Kiryushov, B.

    2010-10-01

    The need to perform long-term simulations with reasonable accuracy has led to the development of mass-conservative and efficient numerical methods for solving the transport equation in forward and inverse models. We designed and implemented a flux-form (Eulerian) tracer transport algorithm in the National Institute for Environmental Studies Transport Model (NIES TM), which is used for simulating diurnal and synoptic-scale variations of tropospheric long-lived constituents, as well as their seasonal and inter-annual variability. Implementation of the flux-form method requires the mass conservative wind fields. However, the model is off-line and is driven by datasets from a global atmospheric model or data assimilation system, in which vertically integrated mass changes are not in balance with the surface pressure tendency and mass conservation is not achieved. To rectify the mass-imbalance, a flux-correction method is employed. To avoid singularity near the poles caused by the small grid size arising from the meridional convergence problem, the proposed model uses a reduced latitude-longitude grid scheme, in which the grid size is doubled several times approaching the poles. This approach overcomes the Courant condition in the Polar Regions, maintains a reasonably high integration time-step and ensures adequate model performance during simulations. To assess the model performance, we performed global transport simulations for SF6, 222Rn and CO2. The results were compared with observations available from the World Data Centre for Greenhouse Gases, GLOBALVIEW and the Hateruma monitoring station, Japan. Overall, the results show that the proposed flux-form version of NIES TM can produce tropospheric tracer transport more realistically than previously possible. The reasons for this improvement are discussed.

  17. A mass-conserving advection scheme for offline simulation of scalar transport in coastal ocean models

    NASA Astrophysics Data System (ADS)

    Gillibrand, P. A.; Herzfeld, M.

    2016-05-01

    We present a flux-form semi-Lagrangian (FFSL) advection scheme designed for offline scalar transport simulation with coastal ocean models using curvilinear horizontal coordinates. The scheme conserves mass, overcoming problems of mass conservation typically experienced with offline transport models, and permits long time steps (relative to the Courant number) to be used by the offline model. These attributes make the method attractive for offline simulation of tracers in biogeochemical or sediment transport models using archived flow fields from hydrodynamic models. We describe the FFSL scheme, and test it on two idealised domains and one real domain, the Great Barrier Reef in Australia. For comparison, we also include simulations using a traditional semi-Lagrangian advection scheme for the offline simulations. We compare tracer distributions predicted by the offline FFSL transport scheme with those predicted by the original hydrodynamic model, assess the conservation of mass in all cases and contrast the computational efficiency of the schemes. We find that the FFSL scheme produced very good agreement with the distributions of tracer predicted by the hydrodynamic model, and conserved mass with an error of a fraction of one percent. In terms of computational speed, the FFSL scheme was comparable with the semi-Lagrangian method and an order of magnitude faster than the full hydrodynamic model, even when the latter ran in parallel on multiple cores. The FFSL scheme presented here therefore offers a viable mass-conserving and computationally-efficient alternative to traditional semi-Lagrangian schemes for offline scalar transport simulation in coastal models.

  18. Myosin VI as a transporter and an anchor: A model for kinetics of the motor under load

    NASA Astrophysics Data System (ADS)

    Chuan, Peiying; Spudich, James; Dunn, Alexander

    2010-03-01

    Myosin VI is an actin-based motor that is thought to function both as a transporter and an anchor in vivo. In an earlier study (Altman et al, Cell 2004), inhibition of myosin VI stepping kinetics by load applied using an optical trap was observed at saturating ATP and low ADP concentrations (< 2.5 μM). A simple mechanism whereby the rate of ADP binding increases exponentially with load was proposed. This model predicts that myosin VI functions primarily as an anchor at loads greater than ˜0.5 pN under physiological nucleotide conditions, which is potentially inconsistent with its roles in vivo. Here we present myosin VI stepping data taken at a variety of applied loads and ADP concentrations, and show that the Altman model only holds at low ADP concentrations. At higher, physiologically relevant ADP concentrations under load we observe dwell times that are an order of magnitude smaller than predicted by the Altman model. We present a modified model in which applied load alters the equilibrium between two myosin VI states with different nucleotide affinities. This new kinetic scheme accurately describes myosin VI behavior at various nucleotide conditions under a large range of loads, and explains how the motor is able to carry out its roles in vivo, both as a force-generating transporter and as an anchor.

  19. Multiscale mass transport in z ˜6 galactic discs: fuelling black holes

    NASA Astrophysics Data System (ADS)

    Prieto, Joaquin; Escala, Andrés

    2016-08-01

    By using Adaptive Mesh Refinement cosmological hydrodynamic N-body zoom-in simulations, with the RAMSES code, we studied the mass transport processes on to galactic nuclei from high redshift up to z ˜6. Due to the large dynamical range of the simulations, we were able to study the mass accretion process on scales from ˜50 kpc to ˜few 1 pc. We studied the black hole (BH) growth on to the Galactic Centre in relation with the mass transport processes associated to both the Reynolds stress and the gravitational stress on the disc. Such methodology allowed us to identify the main mass transport process as a function of the scales of the problem. We found that in simulations that include radiative cooling and supernovae feedback, the supermassive black hole (SMBH) grows at the Eddington limit for some periods of time presenting ≈ 0.5 throughout its evolution. The α parameter is dominated by the Reynolds term, αR, with αR ≫ 1. The gravitational part of the α parameter, αG, has an increasing trend towards the Galactic Centre at higher redshifts, with values αG ˜1 at radii ≲ few 101 pc contributing to the BH fuelling. In terms of torques, we also found that gravity has an increasing contribution towards the Galactic Centre at earlier epochs with a mixed contribution above ˜100 pc. This complementary work between pressure gradients and gravitational potential gradients allows an efficient mass transport on the disc with average mass accretion rates of the order of ˜few 1 M⊙ yr-1. These levels of SMBH accretion rates found in our cosmological simulations are needed in all models of SMBH growth that attempt to explain the formation of redshift 6-7 quasars.

  20. Mathematical modelling of oil spill fate and transport in the marine environment incorporating biodegradation kinetics of oil droplets

    NASA Astrophysics Data System (ADS)

    Spanoudaki, Katerina

    2016-04-01

    Oil biodegradation by native bacteria is one of the most important natural processes that can attenuate the environmental impacts of marine oil spills. However, very few numerical models of oil spill fate and transport include biodegradation kinetics of spilled oil. Furthermore, in models where biodegradation is included amongst the oil transformation processes simulated, it is mostly represented as a first order decay process neglecting the effect of several important parameters that can limit biodegradation rate, such as oil composition and oil droplets-water interface. To this end, the open source numerical model MEDSKIL-II, which simulates oil spill fate and transport in the marine environment, has been modified to include biodegradation kinetics of oil droplets dispersed in the water column. MEDSLIK-II predicts the transport and weathering of oil spills following a Lagrangian approach for the solution of the advection-diffusion equation. Transport is governed by the 3D sea currents and wave field provided by ocean circulation models. In addition to advective and diffusive displacements, the model simulates several physical and chemical processes that transform the oil (evaporation, emulsification, dispersion in the water column, adhesion to coast). The fate algorithms employed in MEDSLIK-II consider the oil as a uniform substance whose properties change as the slick weathers, an approach that can lead to reduced accuracy, especially in the estimation of oil evaporation and biodegradation. Therefore MEDSLIK-II has been modified by adopting the "pseudo-component" approach for simulating weathering processes. Spilled oil is modelled as a relatively small number of discrete, non-interacting components (pseudo-components). Chemicals in the oil mixture are grouped by physical-chemical properties and the resulting pseudo-component behaves as if it were a single substance with characteristics typical of the chemical group. The fate (evaporation, dispersion

  1. Effects of Neutron Emission on Fragment Mass and Kinetic Energy Distribution from Thermal Neutron-Induced Fission of {sup 235}U

    SciTech Connect

    Montoya, M.; Rojas, J.; Saetone, E.

    2007-10-26

    The mass and kinetic energy distribution of nuclear fragments from thermal neutron-induced fission of {sup 235}U(n{sub th},f) have been studied using a Monte-Carlo simulation. Besides reproducing the pronounced broadening in the standard deviation of the kinetic energy at the final fragment mass number around m = 109, our simulation also produces a second broadening around m = 125. These results are in good agreement with the experimental data obtained by Belhafaf et al. and other results on yield of mass. We conclude that the obtained results are a consequence of the characteristics of the neutron emission, the sharp variation in the primary fragment kinetic energy and mass yield curves. We show that because neutron emission is hazardous to make any conclusion on primary quantities distribution of fragments from experimental results on final quantities distributions.

  2. Iron transport across the skin and gut epithelia of Pacific hagfish: Kinetic characterisation and effect of hypoxia.

    PubMed

    Glover, Chris N; Niyogi, Som; Blewett, Tamzin A; Wood, Chris M

    2016-09-01

    In most animals, the acquisition of the essential trace metal iron (Fe) is achieved by the gut, but in hagfishes, the skin is a nutrient absorbing epithelium, and thus may also play a role in Fe uptake. In the current study, the absorption of Fe, as Fe(II), across the intestinal and cutaneous epithelia of Pacific hagfish (Eptatretus cirrhatus) was investigated. Both epithelia absorbed Fe, with saturation at lower tested concentrations, superseded by a diffusive component at higher Fe exposure concentrations. Affinity constants (Km) of 9.4 and 137μM, and maximal Fe transport rates (Jmax) of 0.81 and 0.57nmolcm(-2)h(-1) were determined for the skin and the gut, respectively. This characterises the skin as a relatively high-affinity Fe transport epithelium. The majority of the absorbed Fe in the skin remained in the tissue, whereas in the gut, most absorbed Fe was found in the serosal fluid, suggesting distinct mechanisms of Fe handling between the two epithelia. To determine if reduced dissolved oxygen altered Fe transport, hagfish were subjected to hypoxia for 24h, before Fe transport was again assessed. Hypoxia had no effect on Fe transport across gut or skin, likely owing to the relative lack of change in haematological variables, and thus an unaltered Fe demand under such conditions. These data are the first to kinetically characterise the absorption of a nutritive trace metal across the epithelia of hagfish and add to the growing understanding of the role of the skin in nutritive transport in this group.

  3. Converted charter plane for mass transport of patients after a tsunami.

    PubMed

    Björnsson, Hjalti Már; Kristjánsson, Már; Möller, Alma D

    2008-01-01

    After a tsunami in the Indian Ocean in December 2004, thousands of injured tourists were stranded far away from home. To transport injured Scandinavians and their relatives back to Sweden, a standard Icelandic charter plane was altered for the mission in 2 days. Orthopedic injuries and aspirations were the predominant injuries among patients transported, but all had received advanced care in Thailand. The transport to Sweden was uneventful. The possibility of including charter planes in plans for mass transport of injured patients in disaster preparedness is stressed. For a given incident, a detailed checklist can facilitate gathering vital information to ensure adequate equipment and patient care. The lessons from the preparation of the plane and the mission are reported.

  4. Converted charter plane for mass transport of patients after a tsunami.

    PubMed

    Björnsson, Hjalti Már; Kristjánsson, Már; Möller, Alma D

    2008-01-01

    After a tsunami in the Indian Ocean in December 2004, thousands of injured tourists were stranded far away from home. To transport injured Scandinavians and their relatives back to Sweden, a standard Icelandic charter plane was altered for the mission in 2 days. Orthopedic injuries and aspirations were the predominant injuries among patients transported, but all had received advanced care in Thailand. The transport to Sweden was uneventful. The possibility of including charter planes in plans for mass transport of injured patients in disaster preparedness is stressed. For a given incident, a detailed checklist can facilitate gathering vital information to ensure adequate equipment and patient care. The lessons from the preparation of the plane and the mission are reported. PMID:18992689

  5. Studies of Alkali Sorption Kinetics for Pressurized Fluidized Bed Combustion by High Pressure Mass Spectrometry

    SciTech Connect

    Wolf, K.J.; Willenborg, W.; Fricke, C.; Prikhodovsky, A.; Hilpert, K.; Singheiser, L.

    2002-09-20

    This work describes the first approach to use High Pressure Mass Spectrometry (HPMS) for the quantification and analysis of alkali species in a gas stream downstream a sorbent bed of different tested alumosilicates.

  6. Robot applied stance loading increases hindlimb muscle mass and stepping kinetics in a rat model of spinal cord injury.

    PubMed

    Nessler, Jeff A; Moustafa-Bayoumi, Moustafa; Soto, Dalziel; Duhon, Jessica E; Schmitt, Ryan

    2011-01-01

    Following spinal cord injury (SCI) reduced limb usage typically results in muscle atrophy. While robotic locomotor training has been shown to improve several aspects of stepping ability following SCI, little is known regarding the effects of automated training on the preservation of muscle function. The purpose of this study was to evaluate the effects of two robotic locomotor training algorithms on hindlimb strength and muscle mass in a rat model of SCI. Eighteen Sprague-Dawley rats received a mid-thoracic spinal cord transection at 5 days of age, and were randomly assigned to one of three groups: control (no training), standard robotic training, and robotic training with a downward force applied to the shank during the stance phase of gait. Training occurred 5 days/week for 5 min/day, and animals received 90% body weight support for all sessions. Following 4 weeks of training, vertical and propulsive ground reaction force during stepping and en vitro mass of two plantarflexor muscles were significantly increased for all of the trained animals when compared to the untrained control group. Post hoc analysis revealed that standard robotic training did not appear to increase ground reaction force and muscle mass to the same extent as the loaded condition. These results indicate that automated robotic training helps to preserve hindlimb muscle function in rats following SCI. Further, the addition of a plantarflexion stance load appears to promote greater increases in muscle mass and stepping kinetics.

  7. A new continuum approach for nonlinear kinetic simulation and transport analysis

    SciTech Connect

    Dai, Zongliang Wang, Shaojie; Xu, Yingfeng; Ye, Lei; Xiao, Xiaotao

    2015-02-15

    A numerical code based on the I-transform approach is developed to solve the nonlinear Vlasov equation and carry out the transport analysis. The numerical results given by the I-transform approach agree with the conservative semi-Lagrangian approach in the Landau damping case and the bump-on-tail instability case. The diffusivities induced by the random fields and the quasilinear transport are also successfully demonstrated by using the new approach. It is found that the nonlinear transport in the one-dimensional Langmuir turbulence cannot be well-described by a simple diffusion model, due to the strong particle trapping at the nonlinear stage.

  8. Coupled effect of flow variability and mass transfer on contaminant transport and attenuation in groundwater

    NASA Astrophysics Data System (ADS)

    Cvetkovic, Vladimir; Fiori, Aldo; Dagan, Gedeon

    2016-04-01

    The driving mechanism of contaminant transport in aquifers is groundwater flow, which is controlled by boundary conditions and heterogeneity of hydraulic properties. In this work we show how hydrodynamics and mass transfer can be combined in a general analytical manner to derive a physically-based (or process-based) residence time distribution for a given integral scale of the hydraulic conductivity; the result can be applied for a broad class of linear mass transfer processes. The derived tracer residence time distribution is a transfer function with parameters to be inferred from combined field and laboratory measurements. It is scalable relative to the correlation length and applicable for an arbitrary statistical distribution of the hydraulic conductivity. Based on the derived residence time distribution, the coefficient of variation and skewness of contaminant residence time are illustrated assuming a log-normal hydraulic conductivity distribution and first-order mass transfer. We show that for a low Damkohler number the coefficient of variation is more strongly influenced by mass transfer than by heterogeneity, whereas skewness is more strongly influenced by heterogeneity. The derived physically-based residence time distribution for solute transport in heterogeneous aquifers is particularly useful for studying natural attenuation of contaminants. We illustrate the relative impacts of high heterogeneity and a generalised (non-Fickian) multi-rate mass transfer on natural attenuation defined as contaminant mass loss from injection to a downstream compliance boundary.

  9. A theoretical study on the effect of surface roughness on mass transport and transformation in biofilms.

    PubMed

    Picioreanu, C; van Loosdrecht, M C; Heijnen, J J

    2000-05-20

    This modeling study evaluates the influence of biofilm geometrical characteristics on substrate mass transfer and conversion rates. A spatially two-dimensional model was used to compute laminar fluid flow, substrate mass transport, and conversion in irregularly shaped biofilms. The flow velocity above the biofilm surface was varied over 3 orders of magnitude. Numerical results show that increased biofilm roughness does not necessarily lead to an enhancement of either conversion rates or external mass transfer. The average mass transfer coefficient and Sherwood numbers were found to decrease almost linearly with biofilm area enlargement in the flow regime tested. The influence of flow, biofilm geometry and biofilm activity on external mass transfer could be quantified by Sh-Re correlations. The effect of biofilm surface roughness was incorporated in this correlation via area enlargement. Conversion rates could be best correlated to biofilm compactness. The more compact the biofilm, the higher the global conversion rate of substrate. Although an increase of bulk fluid velocity showed a large effect on mass transfer coefficients, the global substrate conversion rate per carrier area was less affected. If only diffusion occurs in pores and channels, then rough biofilms behave as if they were compact but having less biomass activity. In spite of the fact that the real biofilm area is increased due to roughness, the effective mass transfer area is actually decreased because only biofilm peaks receive substrate. This can be explained by the fact that in the absence of normal convection in the biofilm valleys, the substrate gradients are still largely perpendicular to the carrier. Even in the cases where convective transport dominates the external mass transfer process, roughness could lead to decreased conversion rates. The results of this study clearly indicate that only evaluation of overall conversion rates or mass fluxes can describe the correct biofilm conversion

  10. Density-of-states effective mass and scattering parameter measurements by transport phenomena in thin films

    NASA Astrophysics Data System (ADS)

    Young, D. L.; Coutts, T. J.; Kaydanov, V. I.

    2000-02-01

    A novel machine has been developed to measure transport coefficients in the temperature range of 50-350 K of thin films deposited on electrically insulating substrates. The measured coefficients—resistivity, Hall, Seebeck, and Nernst—are applied to solutions of the Boltzmann transport equation to give information about the film's density-of-states effective mass, the Fermi energy level, and an energy-dependent scattering parameter. The machine is designed to eliminate or compensate for simultaneously occurring transport phenomena that would interfere with the desired measured quantity, while allowing for all four coefficients to be measured on the same sample. An average density-of-states effective mass value of 0.29±0.04me was measured on the transparent conductive oxide, cadmium stannate (CTO), over a carrier concentration range of 2-7×1020cm-3. This effective mass value matched previous results obtained by optical and thermoelectric modeling. The measured scattering parameter indicates that neutral impurities or a mixture of scattering mechanisms may inhibit the transport of carriers in CTO.

  11. Kinetic dissolution of carbonates and Mn oxides in acidic water: Measurement of in situ field rates and reactive transport modeling

    USGS Publications Warehouse

    Brown, J.G.; Glynn, P.D.

    2003-01-01

    The kinetics of carbonate and Mn oxide dissolution under acidic conditions were examined through the in situ exposure of pure phase samples to acidic ground water in Pinal Creek Basin, Arizona. The average long-term calculated in situ dissolution rates for calcite and dolomite were 1.65??10-7 and 3.64??10-10 mmol/(cm2 s), respectively, which were about 3 orders of magnitude slower than rates derived in laboratory experiments by other investigators. Application of both in situ and lab-derived calcite and dolomite dissolution rates to equilibrium reactive transport simulations of a column experiment did not improve the fit to measured outflow chemistry: at the spatial and temporal scales of the column experiment, the use of an equilibrium model adequately simulated carbonate dissolution in the column. Pyrolusite (MnO2) exposed to acidic ground water for 595 days increased slightly in weight despite thermodynamic conditions that favored dissolution. This result might be related to a recent finding by another investigator that the reductive dissolution of pyrolusite is accompanied by the precipitation of a mixed Mn-Fe oxide species. In PHREEQC reactive transport simulations, the incorporation of Mn kinetics improved the fit between observed and simulated behavior at the column and field scales, although the column-fitted rate for Mn-oxide dissolution was about 4 orders of magnitude greater than the field-fitted rate. Remaining differences between observed and simulated contaminant transport trends at the Pinal Creek site were likely related to factors other than the Mn oxide dissolution rate, such as the concentration of Fe oxide surface sites available for adsorption, the effects of competition among dissolved species for available surface sites, or reactions not included in the model.

  12. Kinetic and time-dependent features of sustained inhibitory effect of myricetin on folate transport by proton-coupled folate transporter.

    PubMed

    Yamashiro, Takahiro; Ohta, Kinya; Inoue, Katsuhisa; Furumiya, Mai; Hayashi, Yayoi; Yuasa, Hiroaki

    2015-10-01

    Myricetin is a flavonoid that has recently been suggested to induce sustained inhibition of proton-coupled folate transporter (PCFT/SLC46A1), which operates for intestinal folate uptake. The present study was conducted to characterize the inhibitory effect in more detail, using human PCFT stably expressed in Madin-Darby canine kidney II cells, to gain information to cope with problems potentially arising from that. The kinetics of saturable folate transport was first assessed in the absence of myricetin in the cells pretreated with the flavonoid for 60 min. The pretreatment induced PCFT inhibition in a manner dependent on the concentration of myricetin, where the maximum transport rate was reduced by 35.5% and 83.1%, respectively, at its concentrations of 20 μM and 50 μM. The inhibitory effect was, however, less extensive at lower folate concentrations, because the Michaelis constant was also reduced similarly in a manner dependent on myricetin concentration. The inhibition was induced depending on the time of pretreatment and, after removal of myricetin (50 μM) upon the manifestation of an extensive inhibition at 60 min, reversed almost completely in 90 min. This rather short time required for recovery may suggest that the sustained inhibition of PCFT is of a reversible type.

  13. Laboratory experiments of fine-scale mixing and mass transport within a coral canopy

    NASA Astrophysics Data System (ADS)

    Reidenbach, Matthew A.; Koseff, Jeffrey R.; Monismith, Stephen G.

    2007-07-01

    Laboratory experiments obtained fine scale measurements of turbulent shear stresses and rates of mixing and mass transfer over a nonliving bed of the coral, Porites compressa, the dominant species found in Kaneohe Bay, Hawaii. A reef canopy was placed in a recirculating wave-current flume and flow was generated that simulated the flow characteristics of the reef flat of Kaneohe Bay. Turbulence and velocity structure under both unidirectional and wave-dominated currents were measured using a two-dimensional laser Doppler anemometer. Mass transport measurements were made using a planar laser-induced fluorescence technique in which the scalar transport of Rhodamine 6G dye, fluxed from the surfaces of the coral, was quantified. Results show that the action of surface waves, interacting with the structure of the reef, can increase instantaneous shear and mixing up to six times compared to that of unidirectional currents. Maximum shear and mass transport events coincided with flow separation within the wave-current boundary layer and the ejection of vortices into the flow. Wave action also acted to increase the vertical flux of water from within the coral structure. The combined effects of increased turbulent stress and fluid exchange from the interior of the canopy increased mass flux due to wave action 2.3±0.5 times that measured for comparable unidirectional currents.

  14. Mass Transport and Shear Stress as Mediators of Flow Effects on Atherosclerotic Plaque Origin and Growth

    NASA Astrophysics Data System (ADS)

    Gorder, Riley; Aliseda, Alberto

    2009-11-01

    The carotid artery bifurcation (CAB) is one of the leading site for atherosclerosis, a major cause of mortality and morbidity in the developed world. The specific mechanisms by which perturbed flow at the bifurcation and in the carotid bulge promotes plaque formation and growth are not fully understood. Shear stress, mass transport, and flow residence times are considered dominant factors. Shear stress causes restructuring of endothelial cells at the arterial wall which changes the wall's permeability. Long residence times are associated with enhanced mass transport through increased diffusion of lipids and white blood cells into the arterial wall. Although momentum and mass transfer are traditionally coupled by correlations similar to Reynolds Analogy, the complex flow patterns present in this region due to the pulsatile, transitional, detached flow associated with the complex geometry makes the validity of commonly accepted assumptions uncertain. We create solid models of the CAB from MRI or ultrasound medical images, build flow phantoms on clear polyester resin and use an IOR matching, blood mimicking, working fluid. Using PIV and dye injection techniques the shear stress and scalar transport are experimentally investigated. Our goal is to establish a quantitative relationship between momentum and mass transfer under a wide range of physiologically normal and pathological conditions.

  15. Implications of anthropogenic river stage fluctuations on mass transport in a valley fill aquifer

    USGS Publications Warehouse

    Boutt, D.F.; Fleming, B.J.

    2009-01-01

    In humid regions a strong coupling between surface water features and groundwater systems may exist. In these environments the exchange of water and solute depends primarily on the hydraulic gradient between the reservoirs. We hypothesize that daily changes in river stage associated with anthropogenic water releases (such as those from a hydroelectric dam) cause anomalous mixing in the near-stream environment by creating large hydraulic head gradients between the stream and adjacent aquifer. We present field observations of hydraulic gradient reversals in a shallow aquifer. Important physical processes observed in the field are explicitly reproduced in a physically based two-dimensional numerical model of groundwater flow coupled to a simplistic surface water boundary condition. Mass transport simulations of a conservative solute introduced into the surface water are performed and examined relative to a stream condition without stage fluctuations. Simulations of 20 d for both fluctuating river stage and fixed high river stage show that more mass is introduced into the aquifer from the stream in the oscillating case even though the net water flux is zero. Enhanced transport by mechanical dispersion leads to mass being driven away from the hydraulic zone of influence of the river. The modification of local hydraulic gradients is likely to be important for understanding dissolved mass transport in near-stream aquifer environments and can influence exchange zone processes under conditions of high-frequency stream stage changes. Copyright 2009 by the American Geophysical Union.

  16. Mass transfer and transport of radionuclides through backfill in a geologic nuclear waster repository

    SciTech Connect

    Kang, Chulhyung.

    1989-01-01

    Analytical models for the mass transfer and transport of radionuclides through waste package backfill material are developed and their numerical illustrations are demonstrated. These models can aid in the performance assessment of the waste package in nuclear waste repositories. The following analyses are considered to study the performance of the backfill barrier in a geologic nuclear waste repository. (1) The analysis for time and space dependent mass transfer and mass transport of a radioactive decay chain for a congruent release with the matrix species is studied. Non-recursive analytical solutions are derived for a semi-infinite medium and a finite medium. The theory is illustrated with the important decay chain {sup 234}U {yields} {sup 230}Th {yields} {sup 226}Ra. (2) The time and space dependent mass transport for high solubility nuclides, such as iodine or cesium, is analyzed. The approximate solution that is valid for all times is developed, and validated by comparison with an asymptotic solution and the solution obtained by the numerical inversion of a Laplace transform covering the entire time span. From this model one can determine the thickness of the backfill to satisfy a prescribed release rate limit for high soluble radionuclides. (3) The analysis of the transient radionuclide migration through the backfill into a fracture intersecting the waste form is developed. The nuclides are advected by water flowing in the fracture. The numerical illustrations show that the species transport for the short half-life nuclide can be stopped effectively within the backfill, but the backfill can no longer retard the migration for stable nuclides or long half-life nuclides after some initial time period. (4) The steady state mass transfer from a cylindrical waste form with flow through the backfill layer is examined.

  17. Mass spectroscopic characterization of the GeSe:GeI4 vapor transport system

    NASA Technical Reports Server (NTRS)

    Buchan, Nicholas I.; Rosenberger, Franz

    1987-01-01

    The GeSe:GeI4 vapor crystal growth system was characterized mass spectroscopically. A steady-state Knudsen effusion technique was developed to simulate the equilibrium conditions at one end of a vapor transport ampoule. It was found that the previously neglected equilibrium GeSe2(s) = GeSe(v) + 1/2Se2(v) reduces the Se2(v) concentration to an extent that sublimation/condensation of GeSe becomes the dominant transport mechanism. At total pressures near 1 atm the concentration of an additional Ge-Se-I vapor species becomes comparable to that of GeSe(v).

  18. Unassisted transport of N-acetyl-L-tryptophanamide through membrane: experiment and simulation of kinetics.

    PubMed

    Cardenas, Alfredo E; Jas, Gouri S; DeLeon, Kristine Y; Hegefeld, Wendy A; Kuczera, Krzysztof; Elber, Ron

    2012-03-01

    Cellular transport machinery, such as channels and pumps, is working against the background of unassisted material transport through membranes. The permeation of a blocked tryptophan through a 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC) membrane is investigated to probe unassisted or physical transport. The transport rate is measured experimentally and modeled computationally. The time scale measured by parallel artificial membrane permeation assay (PAMPA) experiments is ~8 h. Simulations with the milestoning algorithm suggest mean first passage time (MFPT) of ~4 h and the presence of a large barrier at the center of the bilayer. A similar calculation with the solubility-diffusion model yields a MFPT of ~15 min. This permeation rate is 9 orders of magnitude slower than the permeation rate of only a tryptophan side chain (computed by us and others). This difference suggests critical dependence of transport time on permeant size and hydrophilicity. Analysis of the simulation results suggests that the permeant partially preserves hydrogen bonding of the peptide backbone to water and lipid molecules even when it is moving closer to the bilayer center. As a consequence, defects of the membrane structure are developed to assist permeation.

  19. Effects of reservoir heterogeneity on scaling of effective mass transfer coefficient for solute transport.

    PubMed

    Leung, Juliana Y; Srinivasan, Sanjay

    2016-09-01

    Modeling transport process at large scale requires proper scale-up of subsurface heterogeneity and an understanding of its interaction with the underlying transport mechanisms. A technique based on volume averaging is applied to quantitatively assess the scaling characteristics of effective mass transfer coefficient in heterogeneous reservoir models. The effective mass transfer coefficient represents the combined contribution from diffusion and dispersion to the transport of non-reactive solute particles within a fluid phase. Although treatment of transport problems with the volume averaging technique has been published in the past, application to geological systems exhibiting realistic spatial variability remains a challenge. Previously, the authors developed a new procedure where results from a fine-scale numerical flow simulation reflecting the full physics of the transport process albeit over a sub-volume of the reservoir are integrated with the volume averaging technique to provide effective description of transport properties. The procedure is extended such that spatial averaging is performed at the local-heterogeneity scale. In this paper, the transport of a passive (non-reactive) solute is simulated on multiple reservoir models exhibiting different patterns of heterogeneities, and the scaling behavior of effective mass transfer coefficient (Keff) is examined and compared. One such set of models exhibit power-law (fractal) characteristics, and the variability of dispersion and Keff with scale is in good agreement with analytical expressions described in the literature. This work offers an insight into the impacts of heterogeneity on the scaling of effective transport parameters. A key finding is that spatial heterogeneity models with similar univariate and bivariate statistics may exhibit different scaling characteristics because of the influence of higher order statistics. More mixing is observed in the channelized models with higher-order continuity. It

  20. Effects of reservoir heterogeneity on scaling of effective mass transfer coefficient for solute transport

    NASA Astrophysics Data System (ADS)

    Leung, Juliana Y.; Srinivasan, Sanjay

    2016-09-01

    Modeling transport process at large scale requires proper scale-up of subsurface heterogeneity and an understanding of its interaction with the underlying transport mechanisms. A technique based on volume averaging is applied to quantitatively assess the scaling characteristics of effective mass transfer coefficient in heterogeneous reservoir models. The effective mass transfer coefficient represents the combined contribution from diffusion and dispersion to the transport of non-reactive solute particles within a fluid phase. Although treatment of transport problems with the volume averaging technique has been published in the past, application to geological systems exhibiting realistic spatial variability remains a challenge. Previously, the authors developed a new procedure where results from a fine-scale numerical flow simulation reflecting the full physics of the transport process albeit over a sub-volume of the reservoir are integrated with the volume averaging technique to provide effective description of transport properties. The procedure is extended such that spatial averaging is performed at the local-heterogeneity scale. In this paper, the transport of a passive (non-reactive) solute is simulated on multiple reservoir models exhibiting different patterns of heterogeneities, and the scaling behavior of effective mass transfer coefficient (Keff) is examined and compared. One such set of models exhibit power-law (fractal) characteristics, and the variability of dispersion and Keff with scale is in good agreement with analytical expressions described in the literature. This work offers an insight into the impacts of heterogeneity on the scaling of effective transport parameters. A key finding is that spatial heterogeneity models with similar univariate and bivariate statistics may exhibit different scaling characteristics because of the influence of higher order statistics. More mixing is observed in the channelized models with higher-order continuity. It

  1. Effects of reservoir heterogeneity on scaling of effective mass transfer coefficient for solute transport.

    PubMed

    Leung, Juliana Y; Srinivasan, Sanjay

    2016-09-01

    Modeling transport process at large scale requires proper scale-up of subsurface heterogeneity and an understanding of its interaction with the underlying transport mechanisms. A technique based on volume averaging is applied to quantitatively assess the scaling characteristics of effective mass transfer coefficient in heterogeneous reservoir models. The effective mass transfer coefficient represents the combined contribution from diffusion and dispersion to the transport of non-reactive solute particles within a fluid phase. Although treatment of transport problems with the volume averaging technique has been published in the past, application to geological systems exhibiting realistic spatial variability remains a challenge. Previously, the authors developed a new procedure where results from a fine-scale numerical flow simulation reflecting the full physics of the transport process albeit over a sub-volume of the reservoir are integrated with the volume averaging technique to provide effective description of transport properties. The procedure is extended such that spatial averaging is performed at the local-heterogeneity scale. In this paper, the transport of a passive (non-reactive) solute is simulated on multiple reservoir models exhibiting different patterns of heterogeneities, and the scaling behavior of effective mass transfer coefficient (Keff) is examined and compared. One such set of models exhibit power-law (fractal) characteristics, and the variability of dispersion and Keff with scale is in good agreement with analytical expressions described in the literature. This work offers an insight into the impacts of heterogeneity on the scaling of effective transport parameters. A key finding is that spatial heterogeneity models with similar univariate and bivariate statistics may exhibit different scaling characteristics because of the influence of higher order statistics. More mixing is observed in the channelized models with higher-order continuity. It

  2. Kinetic Controls on the Desorption/Dissolution of Sorbed U(VI) and their Influence on Reactive Transport

    SciTech Connect

    Zachara, John M.; Chongxuan Liu; Qafoku, Nikolla P.; McKinley, James P.; Catalano, Jeffrey G.; Brown, Gordon E., Jr.; Davis, James A.

    2006-04-05

    A number of published studies have sought to understand geochemical kinetic process of uranium (U) that are relevant to nuclear waste sites and repositories by studying the weathering of U ore bodies and downgradient transport of weathering products. Such studies have provided important insights on processes operative over many thousand to millions of years. This project also seeks knowledge on the geochemical kinetics of U, but for shorter in-ground time periods (e.g., 20-50 years) relevant to DOE legacy waste sites. Several representative field sites were selected for intense study at Hanford as part of EMSP research to provide: (1) fundamental insights on intermediate duration geochemical events of U controlling fate and transport, and (2) key scientific information needed for remedial action assessment and informed decision making. The site discussed in this poster is the 300 A uranium plume. This plume is located at the south end of Hanford and discharges directly to the Columbia River. The plume resulted from the discharge of fuels fabrication wastes (nitric acid solutions containing U and Cu) and cladding dissolution wastes (basic sodium aluminate) to the North and South Process Ponds between 1943 and 1975 near the Columbia River. A Kd-based remedial action assessment fifteen years ago predicted that the plume would dissipate to concentrations below the DWS within 10 y. As a result of this assessment, an interim, MNA remedial decision was agreed to by DOE and state/federal regulators. It has been 15 y since the above assessment, and groundwater concentrations have not decreased (attenuated) as projected. Stakeholders are now demanding remedial intervention, and DOE seeks science-based conceptual and numeric models for more accurate future projections. The objectives are: (1) Identify the chemical speciation (e.g., adsorption complexes precipitates), mineral residence, and physical location of contaminant U in a depth sequence of sediments from the disposal

  3. Gluon transport equation with effective mass and dynamical onset of Bose–Einstein condensation

    DOE PAGESBeta

    Blaizot, Jean-Paul; Jiang, Yin; Liao, Jinfeng

    2016-05-01

    In this paper we study the transport equation describing a dense system of gluons, in the small scattering angle approximation, taking into account medium-generated effective masses of the gluons. We focus on the case of overpopulated systems that are driven to Bose–Einstein condensation on their way to thermalization. Lastly, the presence of a mass modifies the dispersion relation of the gluon, as compared to the massless case, but it is shown that this does not change qualitatively the scaling behavior in the vicinity of the onset.

  4. LETTER: Construction of the factorized steady state distribution in models of mass transport

    NASA Astrophysics Data System (ADS)

    Zia, R. K. P.; Evans, M. R.; Majumdar, Satya N.

    2004-10-01

    For a class of one-dimensional mass transport models we present a simple and direct test on the chipping functions, which define the probabilities for mass to be transferred to neighbouring sites, to determine whether the stationary distribution is factorized. In cases where the answer is affirmative, we provide an explicit method for constructing the single-site weight function. As an illustration of the power of this approach, previously known results on the zero-range process and asymmetric random average process are recovered in a few lines. We also construct new models, namely a generalized zero-range process and a binomial chipping model, which have factorized steady states.

  5. Technologies involved in configuring an advanced earth-to-orbit transport for low structural mass

    NASA Technical Reports Server (NTRS)

    Macconochie, I. O.; Klich, P. J.

    1980-01-01

    A tradeoff study for a single-stage, earth-to-orbit transport spacecraft configured with low structural mass as the prime objective is presented. Among the major design elements affecting vehicle mass are: maneuverability and re-entry heating, the compatibility of an irregular cargo bay geometry to future mission requirements, the fabrication and assembly of large honeycomb structure fuselage sections, and the development of LOX/LH2 engine extendable nozzles and dual-propulsion schemes. It is shown that vehicle geometry and materials and structural technologies will be the critical areas in the development of such a system.

  6. Glucose kinetics and pregnancy outcome in Indian women with low and normal body mass indices

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Fetal energy demands are met from the oxidation of maternally supplied glucose and amino acids. During the fasted state, the glucose supply is thought to be met by gluconeogenesis. Underweight women with low body mass index (BMI) might be unable to adequately supply amino acids to satisfy the demand...

  7. Highly porous PEM fuel cell cathodes based on low density carbon aerogels as Pt-support: Experimental study of the mass-transport losses

    NASA Astrophysics Data System (ADS)

    Marie, Julien; Chenitz, Regis; Chatenet, Marian; Berthon-Fabry, Sandrine; Cornet, Nathalie; Achard, Patrick

    Carbon aerogels exhibiting high porous volumes and high surface areas, differentiated by their pore-size distributions were used as Pt-supports in the cathode catalytic layer of H 2/air-fed PEM fuel cell. The cathodes were tested as 50 cm 2 membrane electrode assemblies (MEAs). The porous structure of the synthesized catalytic layers was impacted by the nanostructure of the Pt-doped carbon aerogels (Pt/CAs). In this paper thus we present an experimental study aiming at establishing links between the porous structure of the cathode catalytic layers and the MEAs performances. For that purpose, the polarization curves of the MEAs were decomposed in 3 contributions: the kinetic loss, the ohmic loss and the mass-transport loss. We showed that the MEAs made with the different carbon aerogels had similar kinetic activities (low current density performance) but very different mass-transport voltage losses. It was found that the higher the pore-size of the initial carbon aerogel, the higher the mass-transport voltage losses. Supported by our porosimetry (N 2-adsorption and Hg-porosimetry) measurement, we interpret this apparent contradiction as the consequence of the more important Nafion penetration into the carbon aeorogel with larger pore-size. Indeed, the catalytic layers made from the larger pore-size carbon aerogel had lower porosities. We thus show in this work that carbon aerogels are materials with tailored nanostructured structure which can be used as model materials for experimentally testing the optimization of the PEM fuel cell catalytic layers.

  8. Thermodynamic functions and intraparticle mass transfer kinetics of structural analogues of a template on molecularly imprinted polymers in liquid chromatography

    SciTech Connect

    Kim, Hyunjung; Guiochon, Georges A

    2005-08-01

    The parameters of the thermodynamics and mass transfer kinetics of the structural analogues (L-enantiomers) of the template were measured on an Fmoc-L-tryptophan (Fmoc-L-Trp) imprinted polymer, at different temperatures. The equilibrium isotherm data and the overloaded band profiles of these compounds were measured at temperatures of 298, 313, 323, and 333 K. The isotherm data were modeled. The thermodynamic functions of the different adsorption sites were derived from the isotherm parameters, using van't Hoff plots. The mass transfer parameters were derived by comparing the experimental peak profiles and profiles calculated using the lumped pore diffusion (POR) model for chromatography. These data show that (1) the strength between the substrate molecules and the MIP increases with increasing number of functional groups on the substrates; (2) enthalpy is the driving force for the affinity of the substrates for the MIP; (3) surface diffusion is the dominant mass transfer mechanism of the substrates through the porous MIP. For those substrate molecules that have the same stereochemistry as the template, the energetic surface heterogeneity needs to be incorporated into the surface diffusion coefficients. Heterogeneous surface diffusivities decrease with increasing affinity of the substrates for the MIP.

  9. Mass Yields and Average Total Kinetic Energy Release in Fission for 235U, 238U, and 239Pu

    NASA Astrophysics Data System (ADS)

    Duke, Dana

    2015-10-01

    Mass yield distributions and average total kinetic energy (TKE) in neutron induced fission of 235U, 238U, and 239Pu targets were measured with a gridded ionization chamber. Despite decades of fission research, our understanding of how fragment mass yields and TKE depend on incident neutron energy is limited, especially at higher energies (above 5-10 MeV). Improved accuracy in these quantities is important for nuclear technology as it enhances our simulation capabilities and increases the confidence in diagnostic tools. The data can also guide and validate theoretical fission models where the correlation between the fragment mass and TKE is of particular value for constraining models. The Los Alamos Neutron Science Center - Weapons Neutron Research (LANSCE - WNR) provides a neutron beam with energies from thermal to hundreds of MeV, well-suited for filling in the gaps in existing data and exploring fission behavior in the fast neutron region. The results of the studies on target nuclei 235U, 238U, and 239Pu will be presented with a focus on exploring data trends as a function of neutron energy from thermal through 30 MeV. Results indicate clear evidence of structure due to multi-chance fission in the TKE . LA-UR-15-24761.

  10. A computational study of turbulent kinetic energy transport in barotropic turbulence on the f-plane

    SciTech Connect

    Grooms, Ian

    2015-10-15

    Energy transport by eddies is diagnosed from a series of simulations of stochastically forced, inhomogeneous two-dimensional turbulence—barotropic dynamics on the f-plane. The divergence of the energy flux is compared to diffusive models, both fractional and harmonic, and the inferred diffusivity κ is compared to a mixing-length model κ ∝ Vℓ where V and ℓ are eddy velocity and length scales, respectively. The flux-divergence is found to be well approximated by Laplacian diffusion with a mixing-length approximation. This study provides some support for diffusive modeling of mesoscale eddy energy transport in ocean model parameterizations.

  11. A Kinetic Transport Theory for Particle Acceleration and Transport in Regions of Multiple Contracting and Reconnecting Inertial-scale Flux Ropes

    NASA Astrophysics Data System (ADS)

    le Roux, J. A.; Zank, G. P.; Webb, G. M.; Khabarova, O.

    2015-03-01

    Simulations of particle acceleration in turbulent plasma regions with multiple contracting and merging (reconnecting) magnetic islands emphasize the key role of temporary particle trapping in island structures for the efficient acceleration of particles to form hard power-law spectra. Statistical kinetic transport theories have been developed that capture the essential physics of particle acceleration in multi-island regions. The transport theory of Zank et al. is further developed by considering the acceleration effects of both the mean and the variance of the electric fields induced by the dynamics of multiple inertial-scale flux ropes. A focused transport equation is derived that includes new Fokker-Planck terms for particle scattering and stochastic acceleration due to the variance in multiple flux-rope magnetic fields, plasma flows, and reconnection electric fields. A Parker transport equation is also derived in which a new expression for momentum diffusion appears, combining stochastic acceleration by particle scattering in the mean multi-flux-rope electric fields with acceleration by the variance in these electric fields. Test particle acceleration is modeled analytically considering drift acceleration by the variance in the induced electric fields of flux ropes in the slow supersonic, radially expanding solar wind. Hard power-law spectra occur for sufficiently strong inertial-scale flux ropes with an index modified by adiabatic cooling, solar wind advection, and diffusive escape from flux ropes. Flux ropes might be sufficiently strong behind interplanetary shocks where the index of suprathermal ion power-law spectra observed in the supersonic solar wind can be reproduced.

  12. A KINETIC TRANSPORT THEORY FOR PARTICLE ACCELERATION AND TRANSPORT IN REGIONS OF MULTIPLE CONTRACTING AND RECONNECTING INERTIAL-SCALE FLUX ROPES

    SciTech Connect

    Le Roux, J. A.; Zank, G. P.; Webb, G. M.; Khabarova, O.

    2015-03-10

    Simulations of particle acceleration in turbulent plasma regions with multiple contracting and merging (reconnecting) magnetic islands emphasize the key role of temporary particle trapping in island structures for the efficient acceleration of particles to form hard power-law spectra. Statistical kinetic transport theories have been developed that capture the essential physics of particle acceleration in multi-island regions. The transport theory of Zank et al. is further developed by considering the acceleration effects of both the mean and the variance of the electric fields induced by the dynamics of multiple inertial-scale flux ropes. A focused transport equation is derived that includes new Fokker-Planck terms for particle scattering and stochastic acceleration due to the variance in multiple flux-rope magnetic fields, plasma flows, and reconnection electric fields. A Parker transport equation is also derived in which a new expression for momentum diffusion appears, combining stochastic acceleration by particle scattering in the mean multi-flux-rope electric fields with acceleration by the variance in these electric fields. Test particle acceleration is modeled analytically considering drift acceleration by the variance in the induced electric fields of flux ropes in the slow supersonic, radially expanding solar wind. Hard power-law spectra occur for sufficiently strong inertial-scale flux ropes with an index modified by adiabatic cooling, solar wind advection, and diffusive escape from flux ropes. Flux ropes might be sufficiently strong behind interplanetary shocks where the index of suprathermal ion power-law spectra observed in the supersonic solar wind can be reproduced.

  13. A Twophase Multirate-Mass Transfer Model for Flow and Transport in Porous Media

    NASA Astrophysics Data System (ADS)

    Dentz, M.; Tecklenburg, J.; Neuweiler, I.; Carrera, J.

    2015-12-01

    We present an upscaled non-local model for two-phase flow and transport in highly heterogeneous porous media. The media under consideration are characterized by sharp contrasts in the hydraulic properties typical for fractured porous media, for example. A two-scale expansion gives an upscaled flow and transport formulation that models multiratemass transfer between mobile (fracture) and immobile (matrix) medium portions. The evolution of saturation due to viscous dominated flow in the mobile domain and mass exchange with the immobile zones through capillary countercurrent flow. The medium heterogeneity is mapped onto the mass transfer parameters, which are encoded in a memory functionthat describes the non-local flux between mobile and immobile zones. The upscaled model is parameterized by the medium heterogeneity and the distribution of hydraulic parameters. Breakthrough of the displaced fluidshows characteristic heavy tails due to fluid retention in immobile zones.

  14. Heat and mass transport resistances in vacuum membrane distillation per drop

    SciTech Connect

    Bandini, S.; Sarti, G.C.

    1999-07-01

    Vacuum membrane distillation (VMD) is a separation process based on the use of microporous hydrophobic membranes. The membrane is located between an aqueous phase and a permeate, which is kept under vacuum at pressure values below the equilibrium vapor pressure of the feed. The liquid stream vaporizes at one side of the membrane, and the vapors diffuse through the gas phase inside the membrane pores. The process rate and performance are affected highly by the transport phenomena both in the liquid phase and through the membrane. Heat- and mass-transfer resistance in the liquid phase, as well as mass-transfer resistance through the membrane, play an important role in determining the process performance. Based on VMD experimental data for several binary aqueous mixtures containing volatile organic compounds, a simple criterion to investigate the role of each transport resistance on the separation efficiency is discussed.

  15. Numerical Computation of Mass Transport in Low Reynolds Number Flows and the Concentration Boundary Layer

    NASA Astrophysics Data System (ADS)

    Licata, Nicholas A.; Fuller, Nathaniel J.

    Understanding the physical mechanisms by which an individual cell interacts with its environment often requires detailed information about the fluid in which the cell is immersed. Mass transport between the interior of the cell and the external environment is influenced by the flow of the extracellular fluid and the molecular diffusivity. Analytical calculations of the flow field are challenging in simple geometries, and not generally available in more realistic cases with irregular domain boundaries. Motivated by these problems, we discuss the numerical solution of Stokes equation by implementing a Gauss-Seidel algorithm on a staggered computational grid. The computed velocity profile is used as input to numerically solve the advection-diffusion equation for mass transport. Special attention is paid to the case of two-dimensional flows at large Péclet number. The numerical results are compared with a perturbative analytical treatment of the concentration boundary layer.

  16. Performance of intact and partially degraded concrete barriers in limiting mass transport

    SciTech Connect

    Walton, J.C. )

    1992-06-01

    Mass transport through concrete barriers and release rate from concrete vaults are quantitatively evaluated. The thorny issue of appropriate diffusion coefficients for use in performance assessment calculations is covered, with no ultimate solution found. Release from monolithic concrete vaults composed of concrete waste forms is estimated with a semi-analytical solution. A parametric study illustrates the importance of different parameters on release. A second situation of importance is the role of a concrete shell or vault placed around typical waste forms in limiting mass transport. In both situations, the primary factor controlling concrete performance is cracks. The implications of leaching behavior on likely groundwater concentrations is examined. Frequently, lower groundwater concentrations can be expected in the absence of engineered covers that reduce infiltration.

  17. Upscaling momentum and mass transport under Knudsen and binary diffusion gas slip conditions

    NASA Astrophysics Data System (ADS)

    Valdes-Parada, F. J.; Lasseux, D.

    2015-12-01

    Modeling of gas phase flow in porous media is relevant as it is present in a wide variety of applications ranging from nanofluidic systems to subsurface contaminant transport. In this work, we derive a macroscopic model to study slightly compressible gas flow in porous media for conditions in which the tangential fluid velocity undergoes a slip at the solid interface due to Knudsen effects and to mass diffusion in binary conditions. To this end, we use the method of volume averaging to derive the governing equations at the Darcy scale for both mass and momentum transport. The momentum transport model consists on a modification to Darcy's law due to mass dispersion and to total density gradients. For mass transport, the resulting model is the conventional convection-dispersion equation with two correction terms, one affecting convective transport and the second one affecting mass dispersion due to gas compressibility. The macroscopic model reduces to the one reported by Altevogt et al. (2003) for the case in which gas slip is only due to a concentration gradient and to the one by Lasseux et al. (2014) under Knudsen slip conditions. The model is written in terms of effective-medium coefficients that can be predicted from solving the associated closure problems in representative unit cells. For conditions in which the Péclet number is much greater than one and when the Knudsen number is not exceedingly small compared to the unity, our computations show that the predictions of the longitudinal dispersion may reach an error as high as 60% compared to the predictions obtained by ignoring gas slip. Altevogt A.S., Rolston D.E., Whitaker S. New equations for binary gas transport in porous media, Part 1: equation development. Advances in Water Resources, Vol. 26, 695-715, 2003. Lasseux D., Valdés-Parada F.J., Ochoa-Tapia J.A., Goyeau B. A macroscopic model for slightly compressible gas slip-flow in homogeneous porous media. Physics of Fluids, Vol. 26, 053102, 2014.

  18. Investigating Uranium Concentrations in Groundwaters in the State of Idaho Using Kinetic Phosphorescence Analysis and Inductively Coupled Plasma Mass Spectrometry.

    PubMed

    Tkavadze, Levan; Dunker, Roy E; Brey, Richard R; Dudgeon, John

    2016-11-01

    The determination of uranium concentrations in natural water samples is of great interest due to the environmental consequences of this radionuclide. In this study, 380 groundwater samples from various locations within the state of Idaho were analyzed using two different techniques. The first method was Kinetic Phosphorescence Analysis (KPA), which gives the total uranium concentrations in water samples. The second analysis method was inductively coupled plasma mass spectrometry (ICP- MS). This method determines the total uranium concentration as well as the separate isotope concentrations of uranium. The U/U isotopic ratio was also measured for each sample to confirm that there was no depleted or enriched uranium present. The results were compared and mapped separately from each other. The study also found that in some areas of the state, natural uranium concentrations are relatively high. PMID:27682901

  19. PREDICTION OF TYPE II SOLAR RADIO BURSTS BY THREE-DIMENSIONAL MHD CORONAL MASS EJECTION AND KINETIC RADIO EMISSION SIMULATIONS

    SciTech Connect

    Schmidt, J. M.; Cairns, Iver H.; Hillan, D. S.

    2013-08-20

    Type II solar radio bursts are the primary radio emissions generated by shocks and they are linked with impending space weather events at Earth. We simulate type II bursts by combining elaborate three-dimensional MHD simulations of realistic coronal mass ejections (CMEs) at the Sun with an analytic kinetic radiation theory developed recently. The modeling includes initialization with solar magnetic and active region fields reconstructed from magnetograms of the Sun, a flux rope of the initial CME dimensioned with STEREO spacecraft observations, and a solar wind driven with averaged empirical data. We demonstrate impressive accuracy in time, frequency, and intensity for the CME and type II burst observed on 2011 February 15. This implies real understanding of the physical processes involved regarding the radio emission excitation by shocks and supports the near-term development of a capability to predict and track these events for space weather prediction.

  20. On dynamical formulations of a tethered satellite system with mass transport

    NASA Astrophysics Data System (ADS)

    Liu, F. C.

    1985-01-01

    Two satellites connected by a long flexible tether along the earth radial direction comprise a stable equilibrium state. This paper deals with formulations of in-plane motion of the tether connected satellites with a third mass transporting from one satellite to the other. Systems of equations of motion formulated by two methods, Lagrange equations and D'Alembert's Principle, are presented and methods for numerical solutions are proposed. Initial conditions for inward and outward transfers are derived.

  1. Mass transport phenomena during solidification in microgravity; preliminary results of the first Mephisto flight experiment

    NASA Astrophysics Data System (ADS)

    Favier, J. J.; Garandet, J. P.; Rouzaud, A.; Camel, D.

    1994-06-01

    The MEPHISTO space facility flew on the Columbia space shuttle in October 1992. The preliminary scientific results, mainly based on the analysis of the Seebeck signal, are presented in this paper. Valuable information was obtained for both planar and cellular solidification regimes. It is shown that mass transfer in the melt during the flight was principally diffusive; however, even in microgravity, slow growth rates may result in significant convective transport. A tentative interpretation of the Seebeck signal for destabilized interfaces is also proposed.

  2. Final Report - Ion Production and Transport in Atmospheric Pressure Ion Source Mass Spectrometers

    SciTech Connect

    Farnsworth, Paul B.; Spencer, Ross L.

    2014-05-14

    This document is the final report on a project that focused in the general theme of atmospheric-pressure ion production and transport for mass spectrometry. Within that general theme there were two main projects: the fundamental study of the transport of elemental ions through the vacuum interface of an inductively coupled plasma mass spectrometer (ICPMS), and fundamental studies of the ionization mechanisms in ambient desorption/ionization (ADI) sources for molecular mass spectrometry. In both cases the goal was to generate fundamental understanding of key instrumental processes that would lead to the development of instruments that were more sensitive and more consistent in their performance. The emphasis on consistency derives from the need for instruments that have the same sensitivity, regardless of sample type. In the jargon of analytical chemistry, such instruments are said to be free from matrix effects. In the ICPMS work each stage of ion production and of ion transport from the atmospheric pressure to the high-vacuum mass analyzer was studied. Factors controlling ion transport efficiency and consistency were identified at each stage of pressure reduction. In the ADI work the interactions between an electrospray plume and a fluorescent sample on a surface were examined microscopically. A new mechanism for analyte ion production in desorption electrospray ionization (DESI) was proposed. Optical spectroscopy was used to track the production of reactive species in plasmas used as ADI sources. Experiments with mixed-gas plasmas demonstrated that the addition of a small amount of hydrogen to a helium ADI plasma could boost the sensitivity for some analytes by over an order of magnitude.

  3. Single Nanoparticle Mass Spectrometry as a High Temperature Kinetics Tool: Sublimation, Oxidation, and Emission Spectra of Hot Carbon Nanoparticles.

    PubMed

    Howder, Collin R; Long, Bryan A; Gerlich, Dieter; Alley, Rex N; Anderson, Scott L

    2015-12-17

    In single nanoparticle mass spectrometry, individual charged nanoparticles (NPs) are trapped in a quadrupole ion trap and detected optically, allowing their mass, charge, and optical properties to be monitored continuously. Previous experiments of this type probed NPs that were either fluorescent or large enough to detect by light scattering. Alternatively, small NPs can be heated to temperatures where thermally excited emission is strong enough to allow detection, and this approach should provide a new tool for measurements of sublimation and surface reaction kinetics of materials at high temperatures. As an initial test, we report a study of carbon NPs in the 20-50 nm range, heated by 10.6 μm, 532 nm, or 445 nm lasers. The kinetics for sublimation and oxidation of individual carbon NPs were studied, and a model is presented for the factors that control the NP temperature, including laser heating, and cooling by sublimation, buffer gas collisions, and radiation. The estimated NP temperatures were in the 1700-2000 K range, and the NP absorption cross sections ranged from ∼0.8 to 0.2% of the geometric cross sections for 532 nm and 10.6 μm excitation, respectively. Emission spectra of single NPs and small NP ensembles show a feature in the IR that appears to be the high energy tail of the thermal (blackbody-like) emission expected from hot particles but also a discrete feature peaking around 750 nm. Both the IR tail and 750 nm peak are observed for all particles and for both IR and visible laser excitation. No significant difference was observed between graphite and amorphous carbon NPs. PMID:26513667

  4. Tracer kinetic modeling of [(11)C]AFM, a new PET imaging agent for the serotonin transporter.

    PubMed

    Naganawa, Mika; Nabulsi, Nabeel; Planeta, Beata; Gallezot, Jean-Dominique; Lin, Shu-Fei; Najafzadeh, Soheila; Williams, Wendol; Ropchan, Jim; Labaree, David; Neumeister, Alexander; Huang, Yiyun; Carson, Richard E

    2013-12-01

    [(11)C]AFM, or [(11)C]2-[2-(dimethylaminomethyl)phenylthio]-5-fluoromethylphenylamine, is a new positron emission tomography (PET) radioligand with high affinity and selectivity for the serotonin transporter (SERT). The purpose of this study was to determine the most appropriate kinetic model to quantify [(11)C]AFM binding in the healthy human brain. Positron emission tomography data and arterial input functions were acquired from 10 subjects. Compartmental modeling and the multilinear analysis-1(MA1) method were tested using the arterial input functions. The one-tissue model showed a lack of fit in low-binding regions, and the two-tissue model failed to estimate parameters reliably. Regional time-activity curves were well described by MA1. The rank order of [(11)C]AFM binding potential (BPND) matched well with the known regional SERT densities. For routine use of [(11)C]AFM, several noninvasive methods for quantification of regional binding were evaluated, including simplified reference tissue models (SRTM and SRTM2), and multilinear reference tissue models (MRTM and MRTM2). The best methods for region of interest (ROI) analysis were MA1, MRTM2, and SRTM2, with fixed population kinetic values ( or b') for the reference methods. The MA1 and MRTM2 methods were best for parametric imaging. These results showed that [(11)C]AFM is a suitable PET radioligand to image and quantify SERT in humans. PMID:23921898

  5. Application of Paramagnetically Tagged Molecules for Magnetic Resonance Imaging of Biofilm Mass Transport Processes▿

    PubMed Central

    Ramanan, B.; Holmes, W. M.; Sloan, W. T.; Phoenix, V. R.

    2010-01-01

    Molecules become readily visible by magnetic resonance imaging (MRI) when labeled with a paramagnetic tag. Consequently, MRI can be used to image their transport through porous media. In this study, we demonstrated that this method could be applied to image mass transport processes in biofilms. The transport of a complex of gadolinium and diethylenetriamine pentaacetic acid (Gd-DTPA), a commercially available paramagnetic molecule, was imaged both in agar (as a homogeneous test system) and in a phototrophic biofilm. The images collected were T1 weighted, where T1 is an MRI property of the biofilm and is dependent on Gd-DTPA concentration. A calibration protocol was applied to convert T1 parameter maps into concentration maps, thus revealing the spatially resolved concentrations of this tracer at different time intervals. Comparing the data obtained from the agar experiment with data from a one-dimensional diffusion model revealed that transport of Gd-DTPA in agar was purely via diffusion, with a diffusion coefficient of 7.2 × 10−10 m2 s−1. In contrast, comparison of data from the phototrophic biofilm experiment with data from a two-dimensional diffusion model revealed that transport of Gd-DTPA inside the biofilm was by both diffusion and advection, equivalent to a diffusion coefficient of 1.04 × 10−9 m2 s−1. This technology can be used to further explore mass transport processes in biofilms, either by using the wide range of commercially available paramagnetically tagged molecules and nanoparticles or by using bespoke tagged molecules. PMID:20435773

  6. Herbicide sorption by immersed soils: stoichiometry and the law of mass action in support of predictive kinetics.

    PubMed

    Gamble, Donald S

    2009-03-15

    pseudo-first-order kinetics for sorption modeling. Another purpose is to replace empirical distribution coefficients such as K(D) with the law of mass action for describing equilibria as limiting states. Temperature trends and a comparison with EGME vapor deposition data from the literature indicate a control of herbicide sorption by sorbed water. A preliminary examination of limited data from different sources suggests that future research should investigate some additional correlations. ThetaC and equilibrium functions might both be influenced by soil organic matter carboxyls and carboxylate anions, as well as inorganic materials. Some disadvantages of K(D) are noted.

  7. Analysis of fission gas release kinetics by on-line mass spectrometry

    SciTech Connect

    Zerega, Y.; Reynard-Carette, C.; Parrat, D.; Carette, M.; Brkic, B.; Lyoussi, A.; Bignan, G.; Janulyte, A.; Andre, J.; Pontillon, Y.; Ducros, G.; Taylor, S.

    2011-07-01

    The release of fission gas (Xe and Kr) and helium out of nuclear fuel materials in normal operation of a nuclear power reactor can constitute a strong limitation of the fuel lifetime. Moreover, radioactive isotopes of Xe and Kr contribute significantly to the global radiological source term released in the primary coolant circuit in case of accidental situations accompanied by fuel rod loss of integrity. As a consequence, fission gas release investigation is of prime importance for the nuclear fuel cycle economy, and is the driven force of numerous R and D programs. In this domain, for solving current fuel behavior understanding issues, preparing the development of new fuels (e.g. for Gen IV power systems) and for improving the modeling prediction capability, there is a marked need for innovations in the instrumentation field, mainly for: . Quantification of very low fission gas concentrations, released from fuel sample and routed in sweeping lines. Monitoring of quick gas release variations by quantification of elementary release during a short period of time. Detection of a large range of atomic masses (e.g. H{sub 2}, HT, He, CO, CO{sub 2}, Ne, Ar, Kr, Xe), together with a performing separation of isotopes for Xe and Kr elements. Coupling measurement of stable and radioactive gas isotopes, by using in parallel mass spectrometry and gamma spectrometry techniques. To fulfill these challenging needs, a common strategy for analysis equipment implementation has been set up thanks to a recently launched collaboration between the CEA and the Univ. of Provence, with the technological support of the Liverpool Univ.. It aims at developing a chronological series of mass spectrometer devices based upon mass filter and 2D/3D ion traps with Fourier transform operating mode and having increasing levels of performances to match the previous challenges for out-of pile and in-pile experiments. The final objective is to install a high performance online mass spectrometer coupled to

  8. Non-local kinetic transport studies of a Field-Reversed Configuration

    SciTech Connect

    Choi, Chan K.

    1991-01-01

    A computer code was developed and tested, during this past period, to determine the global, linear kinetic stability of a one-dimensional Field-Reversed Configuration (FRC). A difficulty in verifying the code for fully electromagnetic perturbations caused the model to be simplified so that it would be easier to verify. The changes in the model were going from a fully electromagnetic field operator to an electrostatic field operator. The resultant simplifications allowed the code to be tested against well-known, analytic results from elementary plasma physics. This report will review the physical assumptions used to model the plasma and describe the extra assumptions inherent in using an electrostatic model. In addition, the rationale for simplifying the model and the results of the test of the model will be presented.

  9. Kinetics of solute adsorption at solid/solution interfaces: a theoretical development of the empirical pseudo-first and pseudo-second order kinetic rate equations, based on applying the statistical rate theory of interfacial transport.

    PubMed

    Rudzinski, Wladyslaw; Plazinski, Wojciech

    2006-08-24

    For practical applications of solid/solution adsorption processes, the kinetics of these processes is at least as much essential as their features at equilibrium. Meanwhile, the general understanding of this kinetics and its corresponding theoretical description are far behind the understanding and the level of theoretical interpretation of adsorption equilibria in these systems. The Lagergren empirical equation proposed at the end of 19th century to describe the kinetics of solute sorption at the solid/solution interfaces has been the most widely used kinetic equation until now. This equation has also been called the pseudo-first order kinetic equation because it was intuitively associated with the model of one-site occupancy adsorption kinetics governed by the rate of surface reaction. More recently, its generalization for the two-sites-occupancy adsorption was proposed and called the pseudo-second-order kinetic equation. However, the general use and the wide applicability of these empirical equations during more than one century have not resulted in a corresponding fundamental search for their theoretical origin. Here the first theoretical development of these equations is proposed, based on applying the new fundamental approach to kinetics of interfacial transport called the Statistical Rate Theory. It is shown that these empirical equations are simplified forms of a more general equation developed here, for the case when the adsorption kinetics is governed by the rate of surface reactions. The features of that general equation are shown by presenting exhaustive model investigations, and the applicability of that equation is tested by presenting a quantitative analysis of some experimental data reported in the literature.

  10. Collisional Transport in a Low Aspect Ratio Tokamak -- Beyond the Drift Kinetic Formalism

    SciTech Connect

    D.A. Gates; R.B. White

    2004-01-28

    Calculations of collisional thermal and particle diffusivities in toroidal magnetic plasma confinement devices order the toroidal gyroradius to be small relative to the poloidal gyroradius. This ordering is central to what is usually referred to as neoclassical transport theory. This ordering is incorrect at low aspect ratio, where it can often be the case that the toroidal gyroradius is larger than the poloidal gyroradius. We calculate the correction to the particle and thermal diffusivities at low aspect ratio by comparing the diffusivities as determined by a full orbit code (which we refer to as omni-classical diffusion) with those from a gyroaveraged orbit code (neoclassical diffusion). In typical low aspect ratio devices the omni-classical diffusion can be up to 2.5 times the calculated neoclassical value. We discuss the implications of this work on the analysis of collisional transport in low aspect ratio magnetic confinement experiments.

  11. Estimation of water table level and nitrate pollution based on geostatistical and multiple mass transport models

    NASA Astrophysics Data System (ADS)

    Matiatos, Ioannis; Varouhakis, Emmanouil A.; Papadopoulou, Maria P.

    2015-04-01

    As the sustainable use of groundwater resources is a great challenge for many countries in the world, groundwater modeling has become a very useful and well established tool for studying groundwater management problems. Based on various methods used to numerically solve algebraic equations representing groundwater flow and contaminant mass transport, numerical models are mainly divided into Finite Difference-based and Finite Element-based models. The present study aims at evaluating the performance of a finite difference-based (MODFLOW-MT3DMS), a finite element-based (FEFLOW) and a hybrid finite element and finite difference (Princeton Transport Code-PTC) groundwater numerical models simulating groundwater flow and nitrate mass transport in the alluvial aquifer of Trizina region in NE Peloponnese, Greece. The calibration of groundwater flow in all models was performed using groundwater hydraulic head data from seven stress periods and the validation was based on a series of hydraulic head data for two stress periods in sufficient numbers of observation locations. The same periods were used for the calibration of nitrate mass transport. The calibration and validation of the three models revealed that the simulated values of hydraulic heads and nitrate mass concentrations coincide well with the observed ones. The models' performance was assessed by performing a statistical analysis of these different types of numerical algorithms. A number of metrics, such as Mean Absolute Error (MAE), Root Mean Square Error (RMSE), Bias, Nash Sutcliffe Model Efficiency (NSE) and Reliability Index (RI) were used allowing the direct comparison of models' performance. Spatiotemporal Kriging (STRK) was also applied using separable and non-separable spatiotemporal variograms to predict water table level and nitrate concentration at each sampling station for two selected hydrological stress periods. The predictions were validated using the respective measured values. Maps of water table

  12. Kinetic effects on the electron thermal transport in ignition target design

    SciTech Connect

    Honda, M.; Nishiguchi, A.; Takabe, H.; Azechi, H.; Mima, K.

    1996-09-01

    Preheating is one of the most critical issues in laser fusion, because of significant reduction of volume compression. The nonlocal heat transport in an ablative plasma is found to play an important role in the preheating under high intensity laser irradiation. Namely, the electron heat transport should be described by the Fokker{endash}Planck (FP) equation in the fluid implosion code. The Spitzer{endash}H{umlt a}rm (SH) thermal conduction model is not applicable because the electron mean free path is comparable to the temperature scale length. The numerical simulations of the implosion with the FP heat transport have been carried out for the fast (high entropy) implosion mode in which the implosion velocity reaches as high as 6{times}10{sup 7} cm/s. In the fast implosion, the required laser energy for ignition can be reduced. It is found in the simulation that the isentrope in the FP simulation code is higher by two to four times than that in the flux limited SH simulation. {copyright} {ital 1996 American Institute of Physics.}

  13. STOMP Subsurface Transport Over Multiple Phases Version 1.0 Addendum: ECKEChem Equilibrium-Conservation-Kinetic Equation Chemistry and Reactive Transport

    SciTech Connect

    White, Mark D.; McGrail, B. Peter

    2005-12-01

    flow and transport simulator, STOMP (Subsurface Transport Over Multiple Phases). Prior to these code development activities, the STOMP simulator included sequential and scalable implementations for numerically simulating the injection of supercritical CO2 into deep saline aquifers. Additionally, the sequential implementations included operational modes that considered nonisothermal conditions and kinetic dissolution of CO2 into the saline aqueous phase. This addendum documents the advancement of these numerical simulation capabilities to include reactive transport in the STOMP simulator through the inclusion of the recently PNNL developed batch geochemistry solution module ECKEChem (Equilibrium-Conservation-Kinetic Equation Chemistry). Potential geologic reservoirs for sequestering CO2 include deep saline aquifers, hydrate-bearing formations, depleted or partially depleted natural gas and petroleum reservoirs, and coal beds. The mechanisms for sequestering carbon dioxide in geologic reservoirs include physical trapping, dissolution in the reservoir fluids, hydraulic trapping (hysteretic entrapment of nonwetting fluids), and chemical reaction. This document and the associated code development and verification work are concerned with the chemistry of injecting CO2 into geologic reservoirs. As geologic sequestration of CO2 via chemical reaction, namely precipitation reactions, are most dominate in deep saline aquifers, the principal focus of this document is the numerical simulation of CO2 injection, migration, and geochemical reaction in deep saline aquifers. The ECKEChem batch chemistry module was developed in a fashion that would allow its implementation into all operational modes of the STOMP simulator, making it a more versatile chemistry component. Additionally, this approach allows for verification of the ECKEChem module against more classical reactive transport problems involving aqueous systems.

  14. Use of alternate healthcare facilities as alternate transport destinations during a mass-casualty incident.

    PubMed

    Glassman, Erik S; Parrillo, Steven J

    2010-01-01

    The purpose of this discussion is to review the use of destinations other than the hospital emergency department, to transport patients injured as a result of a mass-casualty incident (MCI). A MCI has the ability to overwhelm traditional hospital resources normally thought of as appropriate destinations for the transport of injured patients. As a result, those with less severe injuries often are required to wait before they can receive definitive treatment. This waiting period, either at the scene of the incident or in the emergency department, can increase morbidity and drain resources that can be better directed toward the transport and care of those more severely injured. Potential alternate transport destinations include physician office buildings, ambulatory care centers, ambulatory surgery centers, and urgent care centers. By allowing for transport to alternate locations, these less severely injured patients can be removed rapidly from the scene, treated, and potentially released. This effort can decrease the strain on traditional resources within the system, better allowing these resources to treat more seriously injured patients.

  15. Pressure and kinetic energy transport across the cavity mouth in resonating cavities.

    PubMed

    Bailey, Peter Roger; Abbá, Antonella; Tordella, Daniela

    2013-01-01

    Basic properties of the incompressible fluid motion in a rectangular cavity located along one wall of a plane channel are considered. For Mach numbers of the order of 1×10(-3) and using the incompressible formulation, we look for observable properties that can be associated with acoustic emission, which is normally observed in this kind of flow beyond a critical value of Reynolds number. The focus is put on the energy dynamics, in particular on the accumulation of energy in the cavity which takes place in the form of pressure and kinetic energy. By increasing the external forcing, we observe that the pressure flow into the cavity increases very rapidly, then peaks. However, the flow of kinetic energy, which is many orders of magnitude lower than that of the pressure, slowly but continuously grows. This leads to the pressure-kinetic energy flows ratio reaching an asymptotic state around the value 1000 for the channel bulk speed Reynolds number. It is interesting to note that beyond this threshold when the channel flow is highly unsteady-a sort of coarse turbulent flow-a sequence of high and low pressure spots is seen to depart from the downward cavity step in the statistically averaged field. The set of spots forms a steady spatial structure, a sort of damped standing wave stretching along the spanwise direction. The line joining the centers of the spots has an inclination similar to the normal to the fronts of density or pressure waves, which are observed to propagate from the downstream cavity edge in compressible cavity flows (at Mach numbers of 1×10(2) to 1×10(3), larger than those considered here). The wavelength of the standing wave is of the order of 1/8 the cavity depth and observed at the channel bulk Reynolds number, Re~2900. In this condition, the measure of the maximum pressure differences in the cavity field shows values of the order of 1×10(-1) Pa. We interpret the presence of this sort of wave as the fingerprint of the noise emission spots which

  16. Pressure and kinetic energy transport across the cavity mouth in resonating cavities.

    PubMed

    Bailey, Peter Roger; Abbá, Antonella; Tordella, Daniela

    2013-01-01

    Basic properties of the incompressible fluid motion in a rectangular cavity located along one wall of a plane channel are considered. For Mach numbers of the order of 1×10(-3) and using the incompressible formulation, we look for observable properties that can be associated with acoustic emission, which is normally observed in this kind of flow beyond a critical value of Reynolds number. The focus is put on the energy dynamics, in particular on the accumulation of energy in the cavity which takes place in the form of pressure and kinetic energy. By increasing the external forcing, we observe that the pressure flow into the cavity increases very rapidly, then peaks. However, the flow of kinetic energy, which is many orders of magnitude lower than that of the pressure, slowly but continuously grows. This leads to the pressure-kinetic energy flows ratio reaching an asymptotic state around the value 1000 for the channel bulk speed Reynolds number. It is interesting to note that beyond this threshold when the channel flow is highly unsteady-a sort of coarse turbulent flow-a sequence of high and low pressure spots is seen to depart from the downward cavity step in the statistically averaged field. The set of spots forms a steady spatial structure, a sort of damped standing wave stretching along the spanwise direction. The line joining the centers of the spots has an inclination similar to the normal to the fronts of density or pressure waves, which are observed to propagate from the downstream cavity edge in compressible cavity flows (at Mach numbers of 1×10(2) to 1×10(3), larger than those considered here). The wavelength of the standing wave is of the order of 1/8 the cavity depth and observed at the channel bulk Reynolds number, Re~2900. In this condition, the measure of the maximum pressure differences in the cavity field shows values of the order of 1×10(-1) Pa. We interpret the presence of this sort of wave as the fingerprint of the noise emission spots which

  17. Wave-induced mass transport affects daily Escherichia coli fluctuations in nearshore water

    USGS Publications Warehouse

    Ge, Zhongfu; Whitman, Richard L.; Nevers, Meredith B.; Phanikumar, Mantha S.

    2012-01-01

    Characterization of diel variability of fecal indicator bacteria concentration in nearshore waters is of particular importance for development of water sampling standards and protection of public health. Significant nighttime increase in Escherichia coli (E. coli) concentration in beach water, previously observed at marine sites, has also been identified in summer 2000 from fixed locations in waist- and knee-deep waters at Chicago 63rd Street Beach, an embayed, tideless, freshwater beach with low currents at night (approximately 0.015 m s–1). A theoretical model using wave-induced mass transport velocity for advection was developed to assess the contribution of surface waves to the observed nighttime E. coli replenishment in the nearshore water. Using average wave conditions for the summer season of year 2000, the model predicted an amount of E. coli transported from water of intermediate depth, where sediment resuspension occurred intermittently, that would be sufficient to have elevated E. coli concentration in the surf and swash zones as observed. The nighttime replenishment of E. coli in the surf and swash zones revealed here is an important phase in the cycle of diel variations of E. coli concentration in nearshore water. According to previous findings in Ge et al. (Environ. Sci. Technol. 2010, 44, 6731–6737), enhanced current circulation in the embayment during the day tends to displace and deposit material offshore, which partially sets up the system by the early evening for a new period of nighttime onshore movement. This wave-induced mass transport effect, although facilitating a significant base supply of material shoreward, can be perturbed or significantly influenced by high currents (orders of magnitude larger than a typical wave-induced mass transport velocity), current-induced turbulence, and tidal forcing.

  18. A micro-mapping strategy to investigate mechanical and chemical mass transport in migmatite

    NASA Astrophysics Data System (ADS)

    Lanari, Pierre; Riel, Nicolas

    2016-04-01

    Migmatites are fantastic objects to study both mechanical and chemical mass transport occurring at mm to cm-scale. However, migmatitic outcrops are the result of complex space and time interactions between (i) melt producing reactions, (ii) melt gain/loss and (iii) retrograde reactions. This succession of events is recorded in the minerals and microstructures of migmatites, and accounts for their apparent complexity. In order to explore the controlling parameters of these chemico-mechanical mass transport, it is thus necessary to characterize in great details the compositional changes between the different migmatitic domains, such as between leucosome and residuum. In this contribution we show how suitable local effective bulk (LEB) compositions can be derived by means of standardized microprobe X-ray images, using the program XMapTools. For chemically heterogeneous samples, such as migmatites, these LEB allow to forward model the stable mineral assemblages for each domain. Those thermodynamic models are used to investigate the conditions of leucosome-residuum separation. The studied sample is a metapelite embedded within a metasedimentary xenolith in the Marcabeli pluton, El Oro Complex, Ecuador. The sample exhibits complex mineral patterns due to local melt redistribution (at mm to cm-scale). Such physical mass transport involves major changes that affect the local chemical composition observed today. At the same time gradients in chemical potential can be established between adjacent domains such as residuum and leucosome, thus triggering chemical interaction. Diffusive transport between domains aims to reduce such chemical potential gradients. Along a modelled P-T path the chemical and mineralogical evolution of micro-domains can be reconstructed for (at least the reactive parts of) the crystallization history.

  19. Assessment of a Novel Algal Strain Chlamydomonas debaryana NIREMACC03 for Mass Cultivation, Biofuels Production and Kinetic Studies.

    PubMed

    Mishra, Sanjeev; Singh, Neetu; Sarma, Anil Kumar

    2015-08-01

    A novel microalgae strain Chlamydomonas debaryana (KJ210856) was isolated from a freshwater lake of Punjab, India, and cultivated considering climatic sustainability and inherent adaptability concern. C. debaryana was grown in a 30-L indoor photobioreactor to study the mass cultivation prospect and biofuel potential. Physicochemical characterization of biomass and the lipid was performed with effect to nitrogen stress. It showed a higher biomass yield (1.58 ± 0.02 g L(-1), dry weight) and twofold increase in lipid yield (552.78 ± 9 mg L(-1)) with 34.2 ± 0.19 % lipid content under nitrogen deficient condition. Strikingly, increase in triglycerides achieved with nitrogen depletion containing over 96 % of total fatty acids (C 14, C 16, and C 18). Proximate and ultimate analysis suggested the presence of relatively higher volatile matter and carbon-hydrogen ratio. Furthermore, lower moisture and ash content signified C. debaryana biomass has promising features towards biofuel applications. The pyrolytic behavior of the whole biomass was also studied using thermogravimetric analyzer (TGA) and kinetic parameters were estimated using different methods. Promising growth rate and lipid yield leading to feasible biofuel feed stock production in indoor photobioreactor along with autosediment potential of cells validates C. debaryana NIREMACC03, a potential strain for mass cultivation.

  20. Simulation of Mass Transfer of Calcium in Concrete by the Lattice Kinetic Scheme for a Binary Miscible Fluid Mixture

    NASA Astrophysics Data System (ADS)

    Yoshino, Masato; Murayama, Toshiro; Matsuzaki, Akihiro; Hitomi, Takashi

    The lattice kinetic scheme (LKS) for a binary miscible fluid mixture was applied to the simulation of the mass transfer of calcium in concrete. Cement paste, a major component of concrete, is a porous medium with a complicated three-dimensional geometry. The structure of the model concrete was selected on the basis of experimental data obtained by high-intensity X-ray computed tomography. The LKS, an improved version of the original lattice Boltzmann method, was used to save computational memory and to maintain numerical stability. First, an unsteady convection-diffusion problem was examined, and the accuracy of the method and the error norms with various lattice resolutions were investigated. Next, the problem of the calcium current in concrete was simulated. Pressure drops in the concrete were calculated for various Reynolds numbers, and the results were compared with those of an empirical equation based on experimental data. Also, velocity fields and concentration profiles were obtained at a pore scale for a structure with inhomogeneous mass diffusivities. These simulations showed that the present method might be useful for predicting calcium leaching in concrete from the microscopic point of view.

  1. Assessment of a Novel Algal Strain Chlamydomonas debaryana NIREMACC03 for Mass Cultivation, Biofuels Production and Kinetic Studies.

    PubMed

    Mishra, Sanjeev; Singh, Neetu; Sarma, Anil Kumar

    2015-08-01

    A novel microalgae strain Chlamydomonas debaryana (KJ210856) was isolated from a freshwater lake of Punjab, India, and cultivated considering climatic sustainability and inherent adaptability concern. C. debaryana was grown in a 30-L indoor photobioreactor to study the mass cultivation prospect and biofuel potential. Physicochemical characterization of biomass and the lipid was performed with effect to nitrogen stress. It showed a higher biomass yield (1.58 ± 0.02 g L(-1), dry weight) and twofold increase in lipid yield (552.78 ± 9 mg L(-1)) with 34.2 ± 0.19 % lipid content under nitrogen deficient condition. Strikingly, increase in triglycerides achieved with nitrogen depletion containing over 96 % of total fatty acids (C 14, C 16, and C 18). Proximate and ultimate analysis suggested the presence of relatively higher volatile matter and carbon-hydrogen ratio. Furthermore, lower moisture and ash content signified C. debaryana biomass has promising features towards biofuel applications. The pyrolytic behavior of the whole biomass was also studied using thermogravimetric analyzer (TGA) and kinetic parameters were estimated using different methods. Promising growth rate and lipid yield leading to feasible biofuel feed stock production in indoor photobioreactor along with autosediment potential of cells validates C. debaryana NIREMACC03, a potential strain for mass cultivation. PMID:26093613

  2. Mass-conservative reconstruction of Galerkin velocity fields for transport simulations

    NASA Astrophysics Data System (ADS)

    Scudeler, C.; Putti, M.; Paniconi, C.

    2016-08-01

    Accurate calculation of mass-conservative velocity fields from numerical solutions of Richards' equation is central to reliable surface-subsurface flow and transport modeling, for example in long-term tracer simulations to determine catchment residence time distributions. In this study we assess the performance of a local Larson-Niklasson (LN) post-processing procedure for reconstructing mass-conservative velocities from a linear (P1) Galerkin finite element solution of Richards' equation. This approach, originally proposed for a-posteriori error estimation, modifies the standard finite element velocities by imposing local conservation on element patches. The resulting reconstructed flow field is characterized by continuous fluxes on element edges that can be efficiently used to drive a second order finite volume advective transport model. Through a series of tests of increasing complexity that compare results from the LN scheme to those using velocity fields derived directly from the P1 Galerkin solution, we show that a locally mass-conservative velocity field is necessary to obtain accurate transport results. We also show that the accuracy of the LN reconstruction procedure is comparable to that of the inherently conservative mixed finite element approach, taken as a reference solution, but that the LN scheme has much lower computational costs. The numerical tests examine steady and unsteady, saturated and variably saturated, and homogeneous and heterogeneous cases along with initial and boundary conditions that include dry soil infiltration, alternating solute and water injection, and seepage face outflow. Typical problems that arise with velocities derived from P1 Galerkin solutions include outgoing solute flux from no-flow boundaries, solute entrapment in zones of low hydraulic conductivity, and occurrences of anomalous sources and sinks. In addition to inducing significant mass balance errors, such manifestations often lead to oscillations in concentration

  3. Mass transport in morphogenetic processes: A second gradient theory for volumetric growth and material remodeling

    NASA Astrophysics Data System (ADS)

    Ciarletta, P.; Ambrosi, D.; Maugin, G. A.

    2012-03-01

    In this work, we derive a novel thermo-mechanical theory for growth and remodeling of biological materials in morphogenetic processes. This second gradient hyperelastic theory is the first attempt to describe both volumetric growth and mass transport phenomena in a single-phase continuum model, where both stress- and shape-dependent growth regulations can be investigated. The diffusion of biochemical species (e.g. morphogens, growth factors, migration signals) inside the material is driven by configurational forces, enforced in the balance equations and in the set of constitutive relations. Mass transport is found to depend both on first- and on second-order material connections, possibly withstanding a chemotactic behavior with respect to diffusing molecules. We find that the driving forces of mass diffusion can be written in terms of covariant material derivatives reflecting, in a purely geometrical manner, the presence of a (first-order) torsion and a (second-order) curvature. Thermodynamical arguments show that the Eshelby stress and hyperstress tensors drive the rearrangement of the first- and second-order material inhomogeneities, respectively. In particular, an evolution law is proposed for the first-order transplant, extending a well-known result for inelastic materials. Moreover, we define the first stress-driven evolution law of the second-order transplant in function of the completely material Eshelby hyperstress. The theory is applied to two biomechanical examples, showing how an Eshelbian coupling can coordinate volumetric growth, mass transport and internal stress state, both in physiological and pathological conditions. Finally, possible applications of the proposed model are discussed for studying the unknown regulation mechanisms in morphogenetic processes, as well as for optimizing scaffold architecture in regenerative medicine and tissue engineering.

  4. Rationalizing underprediction of drug clearance from enzyme and transporter kinetic data: from in vitro tools to mechanistic modeling.

    PubMed

    Galetin, Aleksandra

    2014-01-01

    Over the years, there has been an increase in the number and quality of available in vitro tools for the assessment of clearance. Complexity of data analysis and modelling of corresponding in vitro data has increased in an analogous manner, in particular for the simultaneous characterization of transporter and metabolism kinetics, together with intracellular binding and passive diffusion. In the current chapter, the impact of different factors on the in vitro-in vivo extrapolation of clearance will be addressed in a stepwise manner, from the selection of the most adequate in vitro system and experimental design/condition to the corresponding modelling of data generated. The application of static or physiologically based pharmacokinetic models in the prediction of clearance will be discussed, highlighting limitations and current challenges of some of the approaches. Particular focus will be on the ability of in vitro and in silico predictive tools to overcome the trend of clearance underprediction. Improvements made as a result of inclusion of extrahepatic metabolism and consideration of transporter-metabolism interplay across different organs will be discussed.

  5. A Reynolds-averaged turbulence modeling approach using three transport equations for the turbulent viscosity, kinetic energy, and dissipation rate

    NASA Astrophysics Data System (ADS)

    Yoshizawa, Akira; Abe, Hiroyuki; Matsuo, Yuichi; Fujiwara, Hitoshi; Mizobuchi, Yasuhiro

    2012-07-01

    A Reynolds-averaged approach to turbulent shear flows is sought with resort to a three-equation method. Its novelty is the introduction of a turbulent-viscosity transport equation through the transport equation for the Reynolds stress in addition to those for the turbulent kinetic energy and the dissipation rate. The latter two equations are used for evaluating the dimensional coefficients in the former. The aim of this model is to enhance the capability to cope with nonstationary and advection effects in various turbulent flows. The adaptability to them is confirmed through the application to homogeneous-shear and supersonic free-shear flows. In particular, the reasonable prediction is obtained in the latter where the growth rate of the shear layer is suppressed with the increase in the convective Mach number. The present model is also applied to a three-dimensional flow past a wing tip as an instance of complex aeronautical flows, and the excessive diffusion of the trailing vortices is shown to be suppressed. The turbulent-viscosity representation for the Reynolds stress is systematically supplemented with nonlinear effects of mean-velocity gradient tensors, and its adequacy is verified in a channel flow.

  6. Drug Release Kinetics and Transport Mechanisms from Semi-interpenetrating Networks of Gelatin and Poly(ethylene glycol) diacrylate

    PubMed Central

    Fu, Yao; Kao, Weiyuan John

    2013-01-01

    Purpose To elucidate the key parameters affecting solute transport from semi-interpenetrating networks (sIPNs) comprised of poly(ethylene glycol) diacrylate (PEGdA) and gelatin that are partially crosslinked, water-swellable and biodegradable. Effects of material compositions, solute size, solubility, and loading density have been investigated. Materials and Methods sIPNs of following gelatin/PEGdA weight-to-weight ratios were prepared: 10:15, 10:20, 10:30, 15:15, 20:15. Five model solutes of different physicochemical properties were selected, i.e. silver sulfadiazine (AgSD), bupivacaine hydrochloride (Bup), sulfadiazine sodium (NaSD), keratinocyte growth factor (KGF), and bovine serum albumin conjugated with fluorescein isothiocyanate (BSA-FITC). Release studies were performed and the results were analyzed using three hydrogel based common theories (free volume, hydrodynamic and obstruction). Results The release kinetics of model solutes was influenced by each factor under investigation. Specifically, the initial release rates and intra-gel diffusivity decreased with increasing PEGdA content or increasing solute molecular weight. However, the initial release rate and intra-gel diffusivity increased with increasing gelatin content or increasing solute water solubility, which contradicted with the classical hydrogel based solute transport theories, i.e. increasing polymer volume leads to decreased solute diffusivity within the gel. Conclusion This analysis provides structure-functional information of the sIPN as a potential therapeutic delivery matrix. PMID:19554430

  7. Changes in the kinetic behaviour of threonine transport into Trypanosoma brucei elicited by variation in hydrogen ion concentration

    PubMed Central

    Voorheis, H. Paul

    1977-01-01

    1. The dependence of V and V/Km for threonine transport into Trypanosoma brucei upon the external concentration of H+ was studied. 2. Two ionizing groups, the α-amino group of the substrate and a group at the substrate-binding site of the carrier, were found to influence the observed kinetic behaviour of transport. 3. The pK of the group at the substrate-binding site on the free carrier was found to be 6.95 at 30°C and to be temperature-dependent; its heat of ionization was −63.8kJ, which is outside the range for most proton dissociations and suggests a significant contribution from some other source, possibly the remainder of the carrier or the membrane environment. 4. Binding of substrate caused the pK of its α-amino group to shift to a higher value, whereas that of the carrier group shifted to a lower value (6.65 at 30°C). 5. The ionic interaction between substrate and carrier appeared to be involved in the stabilizing of the protonated substrate and the species of the carrier–substrate complex required for the membrane-translocation step. 6. The same ionic species of carrier–substrate complex is required for both substrate dissociation and translocation of the substrate through the membrane. 7. H+ symport or antiport did not occur during threonine uptake. PMID:18141

  8. Influence of microwave irradiation on the mass-transfer kinetics of propylbenzene in reversed-phase liquid chromatography

    SciTech Connect

    Galinada, Wilmer; Kaczmarski, Krzysztof; Guiochon, Georges A

    2005-09-01

    The effect of microwave irradiation on the kinetics of mass transfer in reversed-phase liquid chromatography (RPLC) was studied by measuring its influence on the band profile of propylbenzene in a C{sub 18}-silica column eluted with an aqueous solution of methanol and placed inside a microwave oven. The elution peaks were measured by the pulse-response method, under linear conditions. The amount of microwave energy induced into the column was varied based on the microwave input power. The experimental data were analyzed using the conventional method of moment analysis and the lumped pore diffusion model. With input powers of 15 and 30 W, the effluent temperatures were 25 {+-} 1 and 30 {+-} 1 C, respectively. The effect of microwave irradiation on the mass transfer of the studied solute was determined by comparing the band profiles obtained under the same experimental conditions, at the same temperature, with and without irradiation. The values of the intraparticle diffusion coefficient, D{sub e}, measured with microwave irradiation were ca. 20% higher than those obtained without irradiation. Derived from the method of moments, the values of D{sub e} at 15 W (25 {+-} 1 C) and 0 W (25 {+-} 1 C) were 8.408 x 10{sup -6} cm{sup 2} s{sup -1} and 6.947 x 10{sup -6} cm{sup 2} s{sup -1}, respectively, while these values at 30 W (30 {+-} 1 C) and 0 W (30 {+-} 1 C) were 9.389 x 10{sup -6} cm{sup 2} s{sup -1} and 7.848 x 10{sup -6} cm{sup 2} s{sup -1}, respectively. The values of the surface diffusivity, D{sub S}, also increased with increasing power of the microwave irradiation. It is assumed that the increase in intraparticle diffusion for propylbenzene was caused by the molecular excitation of the organic modifier that has a higher dielectric loss than the solute. The values of D{sub e} were also analyzed and determined using the POR model. There was an excellent agreement between the results of the two independent methods. These preliminary results suggest that microwave

  9. Oxygen Transport Kinetics in Infiltrated SOFCs Cathode by Electrical Conductivity Relaxation Technique

    SciTech Connect

    Li, Yihong; Gerdes, Kirk; Liu, Xingbo

    2013-07-01

    Infiltration has attracted increasing attention as an effective technique to modify SOFC cathodes to improve cell electrochemical performance while maintaining material compatibility and long-term stability. However, the infiltrated material's effect on oxygen transport is still not clear and detailed knowledge of the oxygen reduction reaction in infiltrated cathodes is lacking. In this work, the technique of electrical conductivity relaxation (ECR) is used to evaluate oxygen exchange in two common infiltrated materials, Ce{sub 0.8}Sm{sub 0.2}O{sub 1.9} and La{sub 0.6}Sr{sub 0.4}CoO{sub 3-δ}. The ECR technique is also used to examine the transport processes in a composite material formed with a backbone of La{sub 0.6}Sr{sub 0.4}Co{sub 0.2}Fe{sub 0.8}O{sub 3-δ} and possessing a thin, dense surface layer composed of the representative infiltrate material. Both the surface oxygen exchange process and the oxygen exchange coefficient at infiltrate/LSCF interface are reported. ECR testing results indicate that the application of infiltrate under certain oxygen partial pressure conditions produces a measureable increase in the fitted oxygen exchange parameter. It is presently only possible to generate hypotheses to explain the observation. However the correlation between improved electrochemical performance and increased oxygen transport measured by ECR is reliably demonstrated. The simple and inexpensive ECR technique is utilized as a direct method to optimize the selection of specific infiltrate/backbone material systems for superior performance.

  10. 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

  11. On flow induced kinetic diffusion and rotary kiln bed burden heat transport

    SciTech Connect

    Boateng, A.A.

    1997-07-01

    The cross-section of a partially-filled cylindrical kiln rotating on its horizontal axis and processing granular solids produces a shear zone (active layer) at the free surface which grows with the kiln's rotational rate. The active layer, although relatively thin, compared with the rest of the bed burden, drives all physical/chemical reactions. This is because of the high rate of surface renewal which, in turn, promotes heat exchange between the exposed surface and the higher temperature freeboard gas. Unlike packed beds, particulate diffusion induced by the flow of granules, adds a significant component to the overall heat transfer in the bed. Problem formulation and modeling of heat conduction using flow fields derived from experiments suggest that at slow kiln speeds the diffusion effect may not be recognized due to long term duration of particle contacts and hence packed-bed heat conduction models may provide adequate characterization. However, at moderate and high kiln speeds particle collisions are short-termed and kinetic diffusion contributes to the effective thermal conductivity by as much as tenfold thereby resulting in a well-mixed conditions and a homogeneous bed temperature. Industrial processing ramifications such as kiln speed control and product quality are discussed hereafter.

  12. Kinetics Study of Uranium and Iodine Transport Across The Marine Sediment-water Interface.

    NASA Astrophysics Data System (ADS)

    Simonucci, C.; Viollier, E.; Jézéquel, D.; Sarazin, G.; Metzger, E.; Prévot, F.; Anschutz, P.; Bouran, J. J.

    Even if extensive lab and fieldwork has been done to determine geo- or biogeochemical reactions that precipitate uranium ore, dominant pathways of uranium accumulation in anoxic marine sediments remain to be demonstrated. As well iodine transformation below sediment-water interface lacks of definitive explanation. In this work, we utilize bioreactors for undisturbed sediment to validate possible mechanisms and extract kinetics information that applies to in situ conditions in order to feed diagenetic model. Here, we are presenting our first results in uranium and iodine from our study sites in the Bay of Biscay (France) and in the Thau lagoon (France). We observe that uranium is trapped in anoxic marine sediments (cores from Bay of Biscay) during our bioreactor experiment under anoxic conditions. The concentration of uranium decreases drastically from the injection concentration, to almost zero, in 20 hours. For iodine, it is not as clear as for uranium, because the concentration is still the same from the beginning of circulation of the injection solution, until the end of the experiment (96 hours). In order to decide wether iodine is trapped in marine sediments or transformed in one of its compounds, we also study its speciation at the reactor output.

  13. From kinetic to collective behavior in thermal transport on semiconductors and semiconductor nanostructures

    SciTech Connect

    Tomas, C. de; Lopeandia, A. F.; Alvarez, F. X.; Cantarero, A.

    2014-04-28

    We present a model which deepens into the role that normal scattering has on the thermal conductivity in semiconductor bulk, micro, and nanoscale samples. Thermal conductivity as a function of the temperature undergoes a smooth transition from a kinetic to a collective regime that depends on the importance of normal scattering events. We demonstrate that in this transition, the key point to fit experimental data is changing the way to perform the average on the scattering rates. We apply the model to bulk Si with different isotopic compositions obtaining an accurate fit. Then we calculate the thermal conductivity of Si thin films and nanowires by only introducing the effective size as additional parameter. The model provides a better prediction of the thermal conductivity behavior valid for all temperatures and sizes above 30 nm with a single expression. Avoiding the introduction of confinement or quantum effects, the model permits to establish the limit of classical theories in the study of the thermal conductivity in nanoscopic systems.

  14. Microbial removal of alkanes from dilute gaseous waste streams: kinetics and mass transfer considerations.

    PubMed

    Barton, J W; Klasson, K T; Koran, L J; Davison, B H

    1997-01-01

    Treatment of dilute gaseous hydrocarbon waste streams remains a current need for many industries, particularly as increasingly stringent environmental regulations and oversight force emission reduction. Biofiltration systems hold promise for providing low-cost alternatives to more traditional, energy-intensive treatment methods such as incineration and adsorption. Elucidation of engineering principles governing the behavior of such systems, including mass transfer limitations, will broaden their applicability. Our processes exploit a microbial consortium to treat a mixture of 0.5% n-pentane and 0.5% isobutane in air. Since hydrocarbon gases are sparingly soluble in water, good mixing and high surface area between the gas and liquid phases are essential for biodegradation to be effective. One liquid-continuous columnar bioreactor was operated for more than 30 months with continued degradation of n-pentane and isobutane as sole carbon and energy sources. The maximum degradation rate observed in this gas-recycle system was 2 g of volatile organic compounds (VOC)/(m3.h). A trickle-bed bioreactor was operated continuously for over 24 months to provide a higher surface area (using a structured packing) with increased rates. Degradation rates consistently achieved were approximately 50 g of VOC/(m3.h) via single pass in this gas-continuous columnar system. Effective mass transfer coefficients comparable to literature values were also measured for this reactor; these values were substantially higher than those found in the gas-recycle reactor. Control of biomass levels was implemented by limiting the level of available nitrogen in the recirculating aqueous media, enabling long-term stability of reactor performance. PMID:9413140

  15. 1. Transport of Mass, Momentum and Energy in Planetary Magnetodisc Regions

    NASA Astrophysics Data System (ADS)

    Achilleos, Nicholas; André, Nicolas; Blanco-Cano, Xochitl; Brandt, Pontus C.; Delamere, Peter A.; Winglee, Robert

    2015-04-01

    The rapid rotation of the gas giant planets, Jupiter and Saturn, leads to the formation of magnetodisc regions in their magnetospheric environments. In these regions, relatively cold plasma is confined towards the equatorial regions, and the magnetic field generated by the azimuthal (ring) current adds to the planetary dipole, forming radially distended field lines near the equatorial plane. The ensuing force balance in the equatorial magnetodisc is strongly influenced by centrifugal stress and by the thermal pressure of hot ion populations, whose thermal energy is large compared to the magnitude of their centrifugal potential energy. The sources of plasma for the Jovian and Kronian magnetospheres are the respective satellites Io (a volcanic moon) and Enceladus (an icy moon). The plasma produced by these sources is globally transported outwards through the respective magnetosphere, and ultimately lost from the system. One of the most studied mechanisms for this transport is flux tube interchange, a plasma instability which displaces mass but does not displace magnetic flux—an important observational constraint for any transport process. Pressure anisotropy is likely to play a role in the loss of plasma from these magnetospheres. This is especially the case for the Jovian system, which can harbour strong parallel pressures at the equatorial segments of rotating, expanding flux tubes, leading to these regions becoming unstable, blowing open and releasing their plasma. Plasma mass loss is also associated with magnetic reconnection events in the magnetotail regions. In this overview, we summarise some important observational and theoretical concepts associated with the production and transport of plasma in giant planet magnetodiscs. We begin by considering aspects of force balance in these systems, and their coupling with the ionospheres of their parent planets. We then describe the role of the interaction between neutral and ionized species, and how it determines

  16. Sorption kinetics during macropore transport of organic contaminants in soils: Laboratory experiments and analytical modeling

    NASA Astrophysics Data System (ADS)

    Rahman, M. Mokhlesur; Liedl, Rudolf; Grathwohl, Peter

    2004-01-01

    Preferential solute transport coupled with diffusion into the surrounding matrix region has been examined in a silty loam soil by conducting macropore column experiments for various hydrophobic organic compounds (phenanthrene, 1, 2-DCB, TCE, carbofuran) representing the polycyclic aromatic hydrocarbons, chlorobenzenes, chlorinated solvents, and pesticides. A new and ready-to-use analytical solution was developed for this setting to model the breakthrough curves. The model accounts for advection in the macropore region, diffusion into the matrix region, and linear sorption in both regions. In this setting, hydrodynamic dispersion is negligible as proved by a comparison of an advection-dispersion model of finite pulse input. Conservative tracer experiments were predicted very well with independently determined transport parameters except for the tortuosity factor, which was used as a fitting parameter for the pore diffusion coefficient in the matrix. In case of sorbing solutes the sorption coefficient (Kd) was used as additional fitting parameter. The fitted Kd was 65% smaller for less sorbing compounds, e.g., carbofuran, and 80% less for strongly sorbing compounds, e.g., phenanthrene compared to the independently determined Kd from batch experiments. This indicates that sorption equilibrium was not obtained completely during the matrix diffusion at the timescale of the macropore flow experiment.

  17. Kinetic effects on the electron thermal transport in ignition target design

    SciTech Connect

    Honda, M.; Nishiguchi, A.; Mima, K.; Takabe, H.; Azechi, H.; Nakai, S.

    1996-05-01

    The preheating is one of the most critical issues in laser fusion, because it causes significant reduction of volume compression. The nonlocal heat transport by the high energy tail electrons in ablative plasmas is found to be essential for the preheating under high intensity laser irradiation. In such a situation, electron heat transport is described by the Fokker-Planck (FP) equation in a fluid implosion code, since the Spitzer-H{umlt a}rm (SH) thermal conduction model is not applicable. The numerical simulations of the implosion have been carried out for the fast (high entropy) implosion mode in which the implosion velocity is as high as 6{times}10{sup 7}cm/sec in order to reduce the required laser energy for ignition. The control of preheating is essentially important for this type of implosion mode. The isentrope of an imploding shell is evaluated to see the preheating level. It is found in the fast implosion mode that the isentrope in the FP simulation code is higher by 2 to 4 times than that in the flux limited SH simulation. {copyright} {ital 1996 American Institute of Physics.}

  18. Modelling mass transport through a porous partition: Effect of pore size distribution

    NASA Astrophysics Data System (ADS)

    Khayet, Mohamed; Velázquez, Armando; Mengual, Juan I.

    2004-09-01

    Direct contact membrane distillation process has been studied using microporous polytetrafluoroethylene and polyvinylidene fluoride membranes. The membranes were characterized in terms of their non-wettability, pore size distribution and porosity. The mean pore sizes and pore size distributions were obtained by means of wet/dry flow method. The mean pore size and the effective porosity of the membranes were also determined from the gas permeation test. A theoretical model that considers the pore size distribution together with the gas transport mechanisms through the membrane pores was developed for this process. The contribution of each mass transport mechanism was analyzed. It was found that both membranes have pore size distributions in the Knudsen region and in the transition between Knudsen and ordinary diffusion region. The transition region was the major contribution to mass transport. The predicted water vapor permeability of the membranes were compared with the experimental ones. The effect of considering pore size distribution instead of mean pore size to predict the water vapor permeability of the membranes was investigated.

  19. Kinetics of the iodine- and bromine-mediated transport of halide ions: demonstration of an interfacial complexation mechanism.

    PubMed Central

    Klotz, K H; Benz, R

    1993-01-01

    Stationary and kinetic experiments were performed on lipid bilayer membranes to study the mechanism of iodine- and bromine-mediated halide transport in detail. The stationary conductance data suggested that four different 1:1 complexes between I2 and Br2 and the halides I- and Br- were responsible for the observed conductance increase by iodine and bromine (I3-, I2Br-, Br2I-, and Br3-). Charge pulse experiments allowed the further elucidation of the transport mechanism. Only two of three exponential voltage relaxations predicted by the Läuger model could be resolved under all experimental conditions. This means that either the heterogeneous complexation reactions kR (association) and kD (dissociation) were too fast to be resolved or that the neutral carriers were always in equilibrium within the membrane. Experiments at different carrier and halide concentrations suggested that the translocation of the neutral carrier is much faster than the other processes involved in carrier-mediated ion transport. The model was modified accordingly. From the charge pulse data at different halide concentrations, the translocation rate constant of the complexed carriers, kAS, the dissociation constant, kD, and the total surface concentration of charged carriers, NAS, could be evaluated from one single charge pulse experiment. The association rate of the complex, kR, could be obtained in some cases from the plot of the stationary conductance data as a function of the halide concentration in the aqueous phase. The translocation rate constant, kAS, of the different complexes is a function of the image force and of the Born charging energy. It increases 5000-fold from Br3- to I3- because of an enlarged ion radius. PMID:8312500

  20. [Kinetics of immunoglobulin G transport through the multi-layer epithelial-hematic barrier of the respiratory tract].

    PubMed

    Ermakov, N V; Krekhnov, B V; Chenchikova, E Iu; Cherchenko, N G; Ishkov, A G; Remizova, E N; Sveshnikov, P G; Miroshnichenko, E V; Nazarov, Iu V; Morozov, A P

    1991-05-01

    A new class of drugs is now utilized for in vivo diagnoses and therapy of many widespread diseases. In these pharmacological and diagnostic preparations the active substance is conjugated with a vector which transports the drug to specific biological targets. Monoclonal antibodies are the most commonly used vectors: estimation of their permeability through multilayer and unilayer biomembranes is an important step in the analysis of efficiency of vector drugs. Experiments with Sprague-Dawley rats (mature females weighing 500 to 160 g) have demonstrated the ability of immunoglobulins G to penetrate through the respiratory epithelial-hematic barrier. Using solid phase ELISA, it was found that 5-25% of the total amount of mouse antiinsulin immunoglobulins G1 injected into the trachea under hexenal anesthesia can penetrate into the blood plasma. Accumulation of antibodies in the blood begins 4 hours and ceases 32 hours after the drug application in a dose of 400 micrograms. The kinetics of transmembrane transport is described by an S-like saturation function: C(t) = Cmax/(1+e-(at-b]. Penetration of monoclonal antibodies into the blood is accompanied by their distribution in the organs and tissues as well as by their clearance from the blood plasma. The clearance of monoclonal antibodies is characterized by a 24 hour half-life and is described by an exponential equation: C(t) = C0 x exp-kt. An algorithm for the interaction of these processes which should be taken into account during measurements of the transport of monoclonal antibodies and their complexes through biomembranes is proposed.(ABSTRACT TRUNCATED AT 250 WORDS) PMID:1747414

  1. Mechanistic and Kinetic Study of Singlet O2 Oxidation of Methionine by On-Line Electrospray Ionization Mass Spectrometry

    NASA Astrophysics Data System (ADS)

    Liu, Fangwei; Lu, Wenchao; Yin, Xunlong; Liu, Jianbo

    2016-01-01

    We report a reaction apparatus developed to monitor singlet oxygen (1O2) reactions in solution using on-line ESI mass spectrometry and spectroscopy measurements. 1O2 was generated in the gas phase by the reaction of H2O2 with Cl2, detected by its emission at 1270 nm, and bubbled into aqueous solution continuously. 1O2 concentrations in solution were linearly related to the emission intensities of airborne 1O2, and their absolute scales were established based on a calibration using 9,10-anthracene dipropionate dianion as an 1O2 trapping agent. Products from 1O2 oxidation were monitored by UV-Vis absorption and positive/negative ESI mass spectra, and product structures were elucidated using collision-induced dissociation-tandem mass spectrometry. To suppress electrical discharge in negative ESI of aqueous solution, methanol was added to electrospray via in-spray solution mixing using theta-glass ESI emitters. Capitalizing on this apparatus, the reaction of 1O2 with methionine was investigated. We have identified methionine oxidation intermediates and products at different pH, and measured reaction rate constants. 1O2 oxidation of methionine is mediated by persulfoxide in both acidic and basic solutions. Persulfoxide continues to react with another methionine, yielding methionine sulfoxide as end-product albeit with a much lower reaction rate in basic solution. Density functional theory was used to explore reaction potential energy surfaces and establish kinetic models, with solvation effects simulated using the polarized continuum model. Combined with our previous study of gas-phase methionine ions with 1O2, evolution of methionine oxidation pathways at different ionization states and in different media is described.

  2. Mechanistic and Kinetic Study of Singlet O2 Oxidation of Methionine by On-Line Electrospray Ionization Mass Spectrometry.

    PubMed

    Liu, Fangwei; Lu, Wenchao; Yin, Xunlong; Liu, Jianbo

    2016-01-01

    We report a reaction apparatus developed to monitor singlet oxygen ((1)O2) reactions in solution using on-line ESI mass spectrometry and spectroscopy measurements. (1)O2 was generated in the gas phase by the reaction of H2O2 with Cl2, detected by its emission at 1270 nm, and bubbled into aqueous solution continuously. (1)O2 concentrations in solution were linearly related to the emission intensities of airborne (1)O2, and their absolute scales were established based on a calibration using 9,10-anthracene dipropionate dianion as an (1)O2 trapping agent. Products from (1)O2 oxidation were monitored by UV-Vis absorption and positive/negative ESI mass spectra, and product structures were elucidated using collision-induced dissociation-tandem mass spectrometry. To suppress electrical discharge in negative ESI of aqueous solution, methanol was added to electrospray via in-spray solution mixing using theta-glass ESI emitters. Capitalizing on this apparatus, the reaction of (1)O2 with methionine was investigated. We have identified methionine oxidation intermediates and products at different pH, and measured reaction rate constants. (1)O2 oxidation of methionine is mediated by persulfoxide in both acidic and basic solutions. Persulfoxide continues to react with another methionine, yielding methionine sulfoxide as end-product albeit with a much lower reaction rate in basic solution. Density functional theory was used to explore reaction potential energy surfaces and establish kinetic models, with solvation effects simulated using the polarized continuum model. Combined with our previous study of gas-phase methionine ions with (1)O2, evolution of methionine oxidation pathways at different ionization states and in different media is described.

  3. Analysis of hemodynamic fluid phase mass transport in a separated flow region.

    PubMed

    Lutostansky, Elizabeth M; Karner, Gerhard; Rappitsch, Gerhard; Ku, David N; Perktold, Karl

    2003-04-01

    The mass transfer behavior in the recirculation region downstream of an axisymmetric sudden expansion was examined. The Reynolds number, 500, and Schmidt number, 3200, were selected to model the mass transfer of molecules, such as ADP, in the arterial system. In a first step the transient mass transport applying zero diffusive flux at the wall was analyzed using experiments and two computational codes. The two codes were FLUENT, a commercially available finite volume method, and FTSP, a finite element code developed at Graz University of Technology. The comparison of the transient wall concentration values determined by the three methods was excellent and provides a measure of confidence for computational mass transfer calculations in convection dominated, separated flows. In a second step the effect of the flow separation on the stationary mass transport applying a permeability boundary condition at the water-permeable wall was analyzed using the finite element code FTSP. The results show an increase of luminal ADP surface concentration in the upstream and in the downstream tube of the sudden expansion geometry in the range of six and twelve percent of the bulk flow concentration. The effect of flow separation in the downstream tube on the wall concentration is a decrease of about ten percent of the difference between wall concentration and bulk concentration occurring at nearly fully developed flow at the downstream region at a distance of 66 downstream tube diameters from the expansion. The decrease of ADP flux into the wall is in the range of three percent of the flux at the downstream region. PMID:12751280

  4. Kinetics of carboplatin-DNA binding in genomic DNA and bladder cancer cells as determined by accelerator mass spectrometry

    SciTech Connect

    Hah, S S; Stivers, K M; Vere White, R; Henderson, P T

    2005-12-29

    Cisplatin and carboplatin are platinum-based drugs that are widely used in cancer chemotherapy. The cytotoxicity of these drugs is mediated by platinum-DNA monoadducts and intra- and interstrand diadducts, which are formed following uptake of the drug into the nucleus of cells. The pharmacodynamics of carboplatin display fewer side effects than for cisplatin, albeit with less potency, which may be due to differences in rates of DNA adduct formation. We report the use of accelerator mass spectrometry (AMS), a sensitive detection method often used for radiocarbon quantitation, to measure both the kinetics of [{sup 14}C]carboplatin-DNA adduct formation with genomic DNA and drug uptake and DNA binding in T24 human bladder cancer cells. Only carboplatin-DNA monoadducts contain radiocarbon in the platinated DNA, which allowed for calculation of kinetic rates and concentrations within the system. The percent of radiocarbon bound to salmon sperm DNA in the form of monoadducts was measured by AMS over 24 h. Knowledge of both the starting concentration of the parent carboplatin and the concentration of radiocarbon in the DNA at a variety of time points allowed calculation of the rates of Pt-DNA monoadduct formation and conversion to toxic cross-links. Importantly, the rate of carboplatin-DNA monoadduct formation was approximately 100-fold slower than that reported for the more potent cisplatin analogue, which may explain the lower toxicity of carboplatin. T24 human bladder cancer cells were incubated with a subpharmacological dose of [{sup 14}C]carboplatin, and the rate of accumulation of radiocarbon in the cells and nuclear DNA was measured by AMS. The lowest concentration of radiocarbon measured was approximately 1 amol/10 {micro}g of DNA. This sensitivity may allow the method to be used for clinical applications.

  5. Proton-transport mechanisms in cytochrome c oxidase revealed by studies of kinetic isotope effects

    PubMed Central

    Johansson, Ann-Louise; Chakrabarty, Suman; Siöberg, Catrine Berthold; Högbom, Martin; Warshel, Arieh; Brzezinski, Peter

    2011-01-01

    Cytochrome c oxidase (CytcO) is a membrane-bound enzyme, which catalyzes the reduction of di-oxygen to water and uses a major part of the free energy released in this reaction to pump protons across the membrane. In the Rhodobacter sphaeroides aa3 CytcO all protons that are pumped across the membrane, as well as one half of the protons that are used for O2 reduction, are transferred through one specific intraprotein proton pathway, which holds a highly conserved Glu286 residue. Key questions that need to be addressed in order to understand the function of CytcO at a molecular level are related to the timing of proton transfers from Glu286 to a “pump site” and the catalytic site, respectively. Here, we have investigated the temperature dependencies of the H/D kinetic-isotope effects of intramolecular proton-transfer reactions in the wild-type CytcO as well as in two structural CytcO variants, one in which proton uptake from solution is delayed and one in which proton pumping is uncoupled from O2 reduction. These processes were studied for two specific reaction steps linked to transmembrane proton pumping, one that involves only proton transfer (peroxy–ferryl, P→F, transition) and one in which the same sequence of proton transfers is also linked to electron transfer to the catalytic site (ferryl–oxidized, F→O, transition). An analysis of these reactions in the framework of theory indicates that that the simpler, P→F reaction is rate-limited by proton transfer from Glu286 to the catalytic site. When the same proton-transfer events are also linked to electron transfer to the catalytic site (F→O), the proton-transfer reactions are gated by a protein structural change, which presumably ensures that the proton-pumping stoichiometry is maintained also in the presence of a transmembrane electrochemical gradient. PMID:21463601

  6. 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.

  7. Transport and Manipulation of Immiscible Fluids using Electro-Kinetic Techniques

    NASA Astrophysics Data System (ADS)

    Zhou, X.; Nolte, D. D.; Pyrak-Nolte, L. J.

    2015-12-01

    Applied electric fields modify the surface tension between a solid and a liquid and hence modify the wettability and contact angle on solid surfaces. Direct control over internal fluid distributions can be achieved by controlling contact angles that subsequently influence capillary pressures and drive motion of droplets across many millimeters. In this study, an Electro-Wetting on a Dielectric technique, EWOD, is used to: alter contact angles, merge and transport droplets on flat surfaces, and control the distribution of fluid phases. Liquid droplets were supported on flat glass substrates that had been evaporated with a 50 nm thick layer of silver (i.e., ground electrode) and then spin-coated with a ~5-10 μm thick layer of PDMS, a dielectric material. A platinum wire was inserted into 10 μL droplets of 1M KCl-H2O and connected to a 50 Hz AC voltage source. Measurements were made for a range of voltages (Vrms ~0-425V). CCD cameras were used to measure changes in areal extent, perimeter, and contact angles. For Vrms=0, the contact angle on PMDS was 118o. For the range of applied voltages, the contact angle of the droplets changed by over 60o. These experiments demonstrated that contact angle can be controlled over a wide range of values. Unsealed micro-models were used in experiments to merge and transport drops. In the merging experiments, three 50 nm thick electrodes were formed on the top plate separated by a gap of 0.69 mm, while the bottom plate contained a single large area silver electrode 50 nm thick. A 10 μL 1M KCl-H2O droplet was placed on the left electrode and another on the right electrode and merged when 424 V was applied to the middle electrode. The contact angle of the drops on the middle electrode decreased by 60 o relative to the portions of the drops on left and right electrodes. The resulting pressure difference translated and merged the two drops over a distance of ~1mm in ~13 seconds. These experiments demonstrate that EWOD techniques can be

  8. Structural elucidation of degradation products of a benzopyridooxathiazepine under stress conditions using electrospray orbitrap mass spectrometry - study of degradation kinetic.

    PubMed

    Lecoeur, Marie; Vérones, Valérie; Vaccher, Claude; Bonte, Jean-Paul; Lebegue, Nicolas; Goossens, Jean-François

    2012-04-11

    1-(4-Methoxyphenylethyl)-11H-benzo[f]-1,2-dihydro-pyrido[3,2,c][1,2,5]oxathiazepine 5,5 dioxide (BZN) is a cytotoxic derivative with very promising in vitro activity. Regulatory authority for registration of pharmaceuticals for human use requires to evaluate the stability of active compound under various stress conditions. Forced degradation of BZN was investigated under hydrolytic (0.1M NaOH, 0.1M HCl, neutral), oxidative (3.3% H(2)O(2)), photolytic (visible light) and thermal (25 °C, 70 °C) settings. Relevant degradation took place under thermal acidic (0.1M HCl, 70 °C) and oxidative (3.3% H(2)O(2)) conditions. Liquid chromatography-mass spectrometry (LC-MS) analyses revealed the presence of ten degradation products whose structures were characterized by electrospray ionization-orbitrap mass spectrometry. The full scan accurate mass analysis of degradation products was confirmed or refuted using three tools furnished by the MS software: (1) predictive chemical formula and corresponding mass error; (2) double bond equivalent (DBE) calculation; and (3) accurate mass product ion spectra of degradation products. The structural elucidation showed that the tricycle moiety was unstable under thermal acidic and oxidative conditions since four degradation products possess an opened oxathiazepine ring. Then, a simple and fast HPLC-UV method was developed and validated for the determination of the degradation kinetic of BZN under acidic and oxidative conditions. The method was linear in the 5-100 μg mL(-1) concentration range with a good precision (RSD=2.2% and 2.7% for the repeatability and the intermediate precision, respectively) and a bias which never exceeded 1.6%, whatever the quality control level. With regards to the BZN concentration, a first-order degradation process was determined, with t(1/2)=703 h and 1140 h, under oxidative and acidic conditions, respectively.

  9. Kinetics of Beta-14[14C] Carotene in a Human Subject Using Accelerator Mass Spectrometry

    SciTech Connect

    Dueker, S.R.; Lin, Y.; Follett, J.R.; Clifford, A.J.; Buchholz, B.A.

    2000-01-31

    {beta}-Carotene is a tetraterpenoid distributed widely throughout the plant kingdom. It is a member of a group of pigments referred to as carotenoids that have the distinction of serving as metabolic precursors to vitamin A in humans and many animals [1,2]. We used Accelerator Mass Spectrometry (AMS) [3] to determine the metabolic behavior of a physiologic oral dose of {beta}-[{sup 14}C]carotene (200 nanoCuries; 0.57 {micro}mol) in a healthy human subject. Serial blood specimens were collected for 210-d and complete urine and feces were collected for 17 and 10-d, respectively. Balance data indicated that the dose was 42% bioavailable. The absorbed {beta}-carotene was lost slowly via urine in accord with the slow body turnover of {beta}-carotene and vitamin A [4]. HPLC fractionation of plasma taken at early time points (0-24-h) showed the label was distributed between {beta}-carotene and retinyl esters (vitamin A) derived from intestinal metabolism.

  10. An evidence of mass-dependent differential kinetic freeze-out scenario observed in Pb-Pb collisions at 2.76 TeV

    NASA Astrophysics Data System (ADS)

    Lao, Hai-Ling; Wei, Hua-Rong; Liu, Fu-Hu; A. Lacey, Roy

    2016-07-01

    Transverse momentum spectra of different particles produced in mid-rapidity interval in lead-lead (Pb-Pb) collisions with different centrality intervals, measured by the ALICE Collaboration at center-of-mass energy per nucleon pair √{s_{NN}} = 2.76 TeV, are conformably and approximately described by the Tsallis distribution. The dependences of parameters (effective temperature, entropy index, and normalization factor) on event centrality and particle rest mass are obtained. The source temperature at the kinetic freeze-out is obtained to be the intercept in the linear relation between effective temperature and particle rest mass, while the particle (transverse) flow velocity in the source rest frame is extracted to be the slope in the linear relation between mean (transverse) momentum and mean moving mass. It is shown that the source temperature increases with increase of particle rest mass, which exhibits an evidence of mass-dependent differential kinetic freeze-out scenario or multiple kinetic freeze-out scenario.

  11. Orbit-averaged drift kinetic equation for the study of alpha-particle transport in tokamaks

    SciTech Connect

    Sager, G.T.; Miley, G.H. . Fusion Studies Lab.); Burrell, K.H. )

    1990-11-01

    Neoclassical transport of minority suprathermal alpha particles is investigated. This paper departs from previous investigations in that (a) the banana-width ordering parameter {rho}{sub {theta}}/L is not formally restricted to be a small parameter and (b) a linearized collision operator that retains the effects of pitch-angle scattering, electron and ion drag, and speed diffusion is used. A step model approximation for the large-aspect-ratio, circular-cross-section tokamak magnetic field is adopted to simplify the orbit-averaging procedure. Assuming that the suprathermal alphas are in the banana regime, an asymptotic expansion in {tau}{sub B}/{tau}{sub S} {much lt} l is carried out.

  12. Oligomers Modulate Interfibril Branching and Mass Transport Properties of Collagen Matrices

    PubMed Central

    Whittington, Catherine F.; Brandner, Eric; Teo, Ka Yaw; Han, Bumsoo; Nauman, Eric; Voytik-Harbin, Sherry L.

    2013-01-01

    Mass transport within collagen-based matrices is critical to tissue development, repair, and pathogenesis as well as the design of next generation tissue engineering strategies. This work shows how collagen precursors, specified by intermolecular cross-link composition, provide independent control of collagen matrix mechanical and transport properties. Collagen matrices were prepared from tissue-extracted monomers or oligomers. Viscoelastic behavior was measured in oscillatory shear and unconfined compression. Matrix permeability and diffusivity were measured using gravity-driven permeametry and integrated optical imaging, respectively. Both collagen types showed an increase in stiffness and permeability hindrance with increasing collagen concentration (fibril density); however, different physical property-concentration relationships were noted. Diffusivity wasn’t affected by concentration for either collagen type over the range tested. In general, oligomer matrices exhibited a substantial increase in stiffness and only a modest decrease in transport properties when compared to monomer matrices prepared at the same concentration. The observed differences in viscoelastic and transport properties were largely attributed to increased levels of interfibril branching within oligomer matrices. The ability to relate physical properties to relevant microstructure parameters, including fibril density and interfibril branching, is expected to advance the understanding of cell-matrix signaling as well as facilitate model-based prediction and design of matrix-based therapeutic strategies. PMID:23842082

  13. Modelling transport and degradation of de-icing chemicals in soil, assuming Monod kinetics with multiple electron-acceptors

    NASA Astrophysics Data System (ADS)

    Schotanus, D.; Meeussen, J. C. L.; van der Ploeg, M. J.; van der Zee, S. E. A. T. M.

    2012-04-01

    De-icing chemicals that contain propylene glycol are used at Oslo airport during winter time. A fraction of these chemicals is spilled on the runway and can be transported rapidly in the sandy soil in spring during snowmelt. Better insight into the chemical and physical processes that govern the fate of these chemicals in soil will help to estimate potential effects on the large unconfined aquifer in this area, and makes it possible to evaluate potential remedial actions. Micro-organisms in the soil can degrade propylene glycol, for which they need electron-acceptors. Under aerobic conditions, oxygen will be used as an electron-acceptor. From experiments, it is known that also anaerobic degradation occurs in this soil. During snowmelt, high infiltration rates can lead to locally saturated soil. In these parts, oxygen diffusion is limited and thus anaerobic conditions will occur. In these anaerobic regions, other electron-acceptors, such as manganese-oxides that are present in this soil, are used. However, frequent propylene glycol application may lead to a depletion of manganese-oxides and so to increased persistence and migration of propylene glycol in soil. To prevent this depletion and to enhance biodegradation, other electron-acceptors can be applied at the soil surface. Examples are the application of nitrate to the soil surface, and air injection. Model calculations could help to estimate required concentrations. The objectives of this study are 1) to create the reactive model, 2) to use this model to evaluate which parameters are determining leaching fluxes of propylene glycol from the soil, and 3) to evaluate the effectiveness of the different remediation strategies. Therefore, transient water flow, kinetic degradation, and redox chemistry were combined in one model. Degradation is modelled with Monod kinetics using multiple electron-acceptors. Oxygen diffusion in the gas phase, biomass growth, and oxidation and reduction of the important electron

  14. Oscillatory Mass Transport in Vapor-Liquid-Solid Growth of Sapphire Nanowires

    SciTech Connect

    Oh, Sang Ho; Chisholm, Matthew F; Kauffmann, Yaron; Kaplan, Prof. Wayne D.; Luo, Weidong; Ruhle, M.; Scheu, Christina

    2010-01-01

    In vapor-liquid-solid (VLS) growth, the liquid phase plays a pivotal role in mediating mass transport from the vapor source to the growth front of a nanowire. Such transport often takes place through the liquid phase. However, we observed by in situ transmission electron microscopy a different behavior for self-catalytic VLS growth of sapphire nanowires. The growth occurs in a layer-by-layer fashion and is accomplished by interfacial diffusion of oxygen through the ordered liquid aluminum atoms. Oscillatory growth and dissolution reactions at the top rim of the nanowires occur and supply the oxygen required to grow a new (0006) sapphire layer. A periodic modulation of the VLS triple-junction configuration accompanies these oscillatory reactions.

  15. Comparison of Flamelet Models with the Transported Mass Fraction Approach for Supersonic Combustion

    NASA Astrophysics Data System (ADS)

    Li, Wenhai; Alabi, Ken; Ladeinde, Foluso

    2015-11-01

    In this study, two fully compressible RANS, LES, and combined RANS/LES flow solvers - AEROFLO and VULCAN, both of which were originally developed by the United States Department of Defense but have since been significantly enhanced and commercialized by our organization, are used to investigate the accuracy of flamelet-based approach when employed to model supersonic combustion. The flamelet results from both codes are assessed relative to solutions obtained by solving the transport equations for the mass fractions - which is also supported by one of the codes, and making familiar assumptions about the closure of the reaction rate. The studies are carried out in the flamelet regime, and the numerical procedures are based on high-order schemes, which are also used to solve the level-set and mixture fraction transport equations used to study, respectively, premixed and non-premixed combustion. The effects of supersonic Mach numbers on the results are discussed.

  16. Lagrangian analysis of mixing and transport of water masses in the marine bays

    NASA Astrophysics Data System (ADS)

    Prants, S. V.; Ponomarev, V. I.; Budyansky, M. V.; Uleysky, M. Yu.; Fayman, P. A.

    2013-01-01

    The Lagrangian approach to studying the mixing and transport of a passive admixture in marine bays and gulfs based on the methods of a theory of dynamic systems is developed. This approach is employed to investigate the lateral mixing and transport of waters in the Peter the Great Bay, Japan Sea, using a velocity field of the predictive numerical hydrodynamic circulation model of a synoptic scale. It is shown that the Lagrangian characteristics, such as the maximum accumulated Lyapunov exponent, the time of particle stay in the bay, particle relative displacements, and the number of cyclonic and anticyclonic rotations, allow us to describe the movement of water masses, the character of mixing, and chaos in the Bay. In integrating the advection equations forward and backward in time, maps showing a number of particle arrivals to different regions of the Bay make it possible to establish corridors through which particles leave and enter the Bay.

  17. Numerical investigation of mass transport through patient-specific deformed aortae.

    PubMed

    Chen, Jie; Gutmark, Ephraim; Mylavarapu, Goutham; Backeljauw, Philippe F; Gutmark-Little, Iris

    2014-01-22

    Blood flow in human arteries has been investigated using computational fluid dynamics tools. This paper considers flow modeling through three aorta models reconstructed from cross-sectional magnetic resonance scans of female patients. One has the normal control configuration, the second has elongation of the transverse aorta, and the third has tortuosity of the aorta with stenosis. The objective of this study is to determine the impact of aortic abnormal geometries on the wall shear stress (WSS), luminal surface low-density lipoproteins (LDLs) concentration, and oxygen flux along the arterial wall. The results show that the curvature of the aortic arch and the stenosis have significant effects on the blood flow, and in turn, the mass transport. The location of hypoxia areas can be predicted well by ignoring the effect of hemoglobin on the oxygen transport. However, this simplification indeed alters the absolute value of Sherwood number on the wall. PMID:24210472

  18. A mercury transport and fate model (LM2-mercury) for mass budget assessment of mercury cycling in Lake Michigan

    EPA Science Inventory

    LM2-Mercury, a mercury mass balance model, was developed to simulate and evaluate the transport, fate, and biogeochemical transformations of mercury in Lake Michigan. The model simulates total suspended solids (TSS), disolved organic carbon (DOC), and total, elemental, divalent, ...

  19. Neutrino Transport in Black Hole-Neutron Star Binaries: Dynamical Mass Ejection and Neutrino-Driven Wind

    NASA Astrophysics Data System (ADS)

    Kyutoku, K.; Kiuchi, K.; Sekiguchi, Y.; Shibata, M.; Taniguchi, K.

    2016-10-01

    We present our recent results of numerical-relativity simulations of black hole-neutron star binary mergers incorporating approximate neutrino transport. We in particular discuss dynamical mass ejection and neutrino-driven wind.

  20. Mass transport and crystal growth of the mixed ZrS2-ZrSe2 system

    NASA Technical Reports Server (NTRS)

    Wiedemeier, Heribert; Goldman, Howard

    1986-01-01

    The solid solubility of the ZrS2-ZrSe2 system was reinvestigated by annealing techniques to establish the relationship between composition and lattice parameters. Mixed crystals of ZrS(2x)Se2(1-x) for selected compositions of the source material were grown by chemical vapor transport and characterized by X-ray diffraction and microscopic methods. The mass transport rates and crystal growth of ZrSSe were investigated and compared with those of other compositions. The mass fluxes of the mixed system showed an increase with increasing selenium content. The transport products were richer in ZrSe2 than the residual source materials when the ZrSe2 content of the starting materials was greater than 50 mol.-pct. The mass transport rates revealed an increasing mass flux with pressure.

  1. CONVERGENCE STUDIES OF MASS TRANSPORT IN DISKS WITH GRAVITATIONAL INSTABILITIES. II. THE RADIATIVE COOLING CASE

    SciTech Connect

    Steiman-Cameron, Thomas Y.; Durisen, Richard H.; Michael, Scott; McConnell, Caitlin R.; Boley, Aaron C. E-mail: durisen@astro.indiana.edu E-mail: carmccon@indiana.edu

    2013-05-10

    We conduct a convergence study of a protoplanetary disk subject to gravitational instabilities (GIs) at a time of approximate balance between heating produced by the GIs and radiative cooling governed by realistic dust opacities. We examine cooling times, characterize GI-driven spiral waves and their resultant gravitational torques, and evaluate how accurately mass transport can be represented by an {alpha}-disk formulation. Four simulations, identical except for azimuthal resolution, are conducted with a grid-based three-dimensional hydrodynamics code. There are two regions in which behaviors differ as resolution increases. The inner region, which contains 75% of the disk mass and is optically thick, has long cooling times and is well converged in terms of various measures of structure and mass transport for the three highest resolutions. The longest cooling times coincide with radii where the Toomre Q has its minimum value. Torques are dominated in this region by two- and three-armed spirals. The effective {alpha} arising from gravitational stresses is typically a few Multiplication-Sign 10{sup -3} and is only roughly consistent with local balance of heating and cooling when time-averaged over many dynamic times and a wide range of radii. On the other hand, the outer disk region, which is mostly optically thin, has relatively short cooling times and does not show convergence as resolution increases. Treatment of unstable disks with optical depths near unity with realistic radiative transport is a difficult numerical problem requiring further study. We discuss possible implications of our results for numerical convergence of fragmentation criteria in disk simulations.

  2. Mass transport-dominated sedimentation in a foreland basin, the Hidaka Trough, northern Japan

    NASA Astrophysics Data System (ADS)

    Noda, Atsushi; TuZino, Taqumi; Joshima, Masato; Goto, Shusaku

    2013-08-01

    Mass transport is an important process of sediment redistribution from shallow to deep sea basins. It is vital to understand this process for disaster prevention and protection of economic interests in coastal and offshore areas. We describe mass transport-dominated sedimentation in an active foreland basin, the Hidaka Trough, which developed from collision between the northeastern Japan arc and the Kuril arc. The basin is deformed by east-west compression associated with large, frequent earthquakes. The trough is filled with thick (>4.5 km) sediments, ranging from coal-bearing Cretaceous terrestrial strata to modern diatomaceous hemipelagic mud and volcanic ash. Bottom-simulating reflectors and the distribution of mud volcanoes, pockmarks, and acoustic wipe-out zones on the seismic records suggest the presence of subsurface gases in the sediments. The basin features stacked mass transport deposits (MTDs), but no channel-levee systems have developed. The MTDs are relatively thin (<30 m) and are derived from three sides of the basin margin. Initiation of submarine slope failure in this area may be controlled by multiple factors that increase driving forces and decrease resistance of the slopes. The driving forces include oversteepening of the margin slope as a resul`t of thrusting and folding, and additional downslope gravitational acceleration caused by cyclic shaking during earthquakes. Decreased resistance in the slopes may be caused by the accumulation of excess pore-water pressure driven by a high-sedimentation rate, gas hydrate dissociation accompanying changes in sea level or seawater temperature, and liquefaction in coarse-grained beds during earthquakes.

  3. Evaluation and optimization of mass transport of redox species in silicon microwire-array photoelectrodes

    PubMed Central

    Xiang, Chengxiang; Meng, Andrew C.; Lewis, Nathan S.

    2012-01-01

    Physical integration of a Ag electrical contact internally into a metal/substrate/microstructured Si wire array/oxide/Ag/electrolyte photoelectrochemical solar cell has produced structures that display relatively low ohmic resistance losses, as well as highly efficient mass transport of redox species in the absence of forced convection. Even with front-side illumination, such wire-array based photoelectrochemical solar cells do not require a transparent conducting oxide top contact. In contact with a test electrolyte that contained 50 mM/5.0 mM of the cobaltocenium+/0 redox species in CH3CN–1.0 M LiClO4, when the counterelectrode was placed in the solution and separated from the photoelectrode, mass transport restrictions of redox species in the internal volume of the Si wire array photoelectrode produced low fill factors and limited the obtainable current densities to 17.6 mA cm-2 even under high illumination. In contrast, when the physically integrated internal Ag film served as the counter electrode, the redox couple species were regenerated inside the internal volume of the photoelectrode, especially in regions where depletion of the redox species due to mass transport limitations would have otherwise occurred. This behavior allowed the integrated assembly to operate as a two-terminal, stand-alone, photoelectrochemical solar cell. The current density vs. voltage behavior of the integrated photoelectrochemical solar cell produced short-circuit current densities in excess of 80 mA cm-2 at high light intensities, and resulted in relatively low losses due to concentration overpotentials at 1 Sun illumination. The integrated wire array-based device architecture also provides design guidance for tandem photoelectrochemical cells for solar-driven water splitting. PMID:22904185

  4. Molecular modeling of surfactant covered oil-water interfaces: Dynamics, microstructure, and barrier for mass transport

    NASA Astrophysics Data System (ADS)

    Gupta, Ashish; Chauhan, Anuj; Kopelevich, Dmitry I.

    2008-06-01

    Mass transport across surfactant-covered oil-water interfaces of microemulsions plays an important role in numerous applications. In the current work, we use coarse-grained molecular dynamics simulations to investigate model systems containing flat hexadecane-water interfaces covered by monolayers of nonionic surfactants of various lengths. Several properties of the surfactant monolayers relevant to the mass transport are considered, including the monolayer microstructure, dynamics, and a free energy barrier to the solute transport. It is observed that the dominant contribution of a surfactant monolayer to the free energy barrier is a steric repulsion caused by a local density increase inside the monolayer. The local densities, and hence the free energy barriers, are larger for monolayers composed of longer surfactants. Since it is likely that the solute transport mechanism involves a sequence of jumps between short-lived pores within a monolayer, we perform a detailed analysis of structure, size, and lifetime of these pores. We demonstrate that the pore statistics is consistent with predictions of percolation theory and apply this theory to identify the characteristic length scale of the monolayer microstructure. The obtained pore structures are sensitive to minute changes of surfactant configurations occurring on the picosecond time scale. To reduce this sensitivity, the pores are averaged over short time intervals. The optimal duration of these time intervals is estimated from analysis of dynamics of pores with diameters comparable to or exceeding the characteristic percolation length scale. The developed approach allows one to filter out transient events of the pore dynamics and to focus on events leading to substantial changes of the monolayer microstructure.

  5. Angular momentum transport efficiency in post-main sequence low-mass stars

    NASA Astrophysics Data System (ADS)

    Spada, F.; Gellert, M.; Arlt, R.; Deheuvels, S.

    2016-05-01

    Context. Using asteroseismic techniques, it has recently become possible to probe the internal rotation profile of low-mass (≈1.1-1.5 M⊙) subgiant and red giant stars. Under the assumption of local angular momentum conservation, the core contraction and envelope expansion occurring at the end of the main sequence would result in a much larger internal differential rotation than observed. This suggests that angular momentum redistribution must be taking place in the interior of these stars. Aims: We investigate the physical nature of the angular momentum redistribution mechanisms operating in stellar interiors by constraining the efficiency of post-main sequence rotational coupling. Methods: We model the rotational evolution of a 1.25M⊙ star using the Yale Rotational stellar Evolution Code. Our models take into account the magnetic wind braking occurring at the surface of the star and the angular momentum transport in the interior, with an efficiency dependent on the degree of internal differential rotation. Results: We find that models including a dependence of the angular momentum transport efficiency on the radial rotational shear reproduce very well the observations. The best fit of the data is obtained with an angular momentum transport coefficient scaling with the ratio of the rotation rate of the radiative interior over that of the convective envelope of the star as a power law of exponent ≈3. This scaling is consistent with the predictions of recent numerical simulations of the Azimuthal Magneto-Rotational Instability. Conclusions: We show that an angular momentum transport process whose efficiency varies during the stellar evolution through a dependence on the level of internal differential rotation is required to explain the observed post-main sequence rotational evolution of low-mass stars.

  6. Clarke Stations and mercurian mass-drivers: energy for large-scale transportation systems

    SciTech Connect

    Jones, E.M.

    1985-01-01

    Three-week voyages across 1 AU could be made in large sailing craft propelled by microwaves generated at power stations operating at 0.1 AU from the sun. The power stations could be built of mercurian materials launched by mass driver to building sites in solar orbit. A Clarke Station 28 km in radius could generate 64 TW of microwaves and support the operation of a 1000-tonne, 1000-passenger vessel. The ability to build near-sun power stations of mercurian materials would not only support high-speed transport but solar system development in general.

  7. Groundwater contamination: identification of source signal by time-reverse mass transport computation and filtering

    NASA Astrophysics Data System (ADS)

    Koussis, A. S.; Mazi, K.; Lykoudis, S.; Argyriou, A.

    2003-04-01

    Source signal identification is a forensic task, within regulatory and legal activities. Estimation of the contaminant's release history by reverse-solution (stepping back in time) of the mass transport equation, partialC/partialt + u partialC/partialx = D partial^2C/ partialx^2, is an ill-posed problem (its solution is non-unique and unstable). For this reason we propose the recovery of the source signal from measured concentration profile data through a numerical technique that is based on the premise of advection-dominated transport. We derive an explicit numerical scheme by discretising the pure advection equation, partialC/ partialt + u partial C/partialx = 0, such that it also models gradient-transport by matching numerical diffusion (leading truncation error term) to physical dispersion. The match is achieved by appropriate choice of the scheme’s spatial weighting coefficient q as function of the grid Peclet number P = u Δx/D: θ = 0.5 - P-1. This is a novel and efficient direct solution approach for the signal identification problem at hand that can accommodate space-variable transport parameters as well. First, we perform numerical experiments to define proper grids (in terms of Courant {bf C} = uΔt/Δx and grid Peclet P numbers) for control of spurious oscillations (instability). We then assess recovery of source signals, from perfect as well as from error-seeded field data, considering field data resulting from single- and double-peaked source signals. With perfect data, the scheme recovers source signals with very good accuracy. With imperfect data, however, additional data conditioning is required for control of signal noise. Alternating reverse profile computation with Savitzky-Golay low-pass filtering allows the recovery of well-timed and smooth source signals that satisfy mass conservation very well. Current research focuses on: a) optimising the performance of Savitzky-Golay filters, through selection of appropriate parameters (order of least

  8. Mass estimating techniques for earth-to-orbit transports with various configuration factors and technologies applied

    NASA Technical Reports Server (NTRS)

    Klich, P. J.; Macconochie, I. O.

    1979-01-01

    A study of an array of advanced earth-to-orbit space transportation systems with a focus on mass properties and technology requirements is presented. Methods of estimating weights of these vehicles differ from those used for commercial and military aircraft; the new techniques emphasizing winged horizontal and vertical takeoff advanced systems are described utilizing the space shuttle subsystem data base for the weight estimating equations. The weight equations require information on mission profile, the structural materials, the thermal protection system, and the ascent propulsion system, allowing for the type of construction and various propellant tank shapes. The overall system weights are calculated using this information and incorporated into the Systems Engineering Mass Properties Computer Program.

  9. The photoinduced birefringence and mass transport in azo compound K-D-2

    NASA Astrophysics Data System (ADS)

    Klismeta, K.; Teteris, J.

    2015-06-01

    Azobenzene containing compounds are among light polarization sensitive materials - the moieties may align relative to the electric field vector of light, leading to anisotropy and birefringence in the sample. Another phenomenon which can be observed in azo compounds under influence of light is macroscopic movement of the material. In this work photoinduced processes in low molecular weight organic glass - bis-azobenzene containing compound K-D-2 were experimentally studied. Birefringence was induced with linearly polarized laser light (473, 532 and 635 nm) and measured at 633 nm wavelength. Polarization holography with recording beam configuration +45°/-45° was used to induce mass motion. Dependence of the surface relief depth on the recording laser wavelength in the visible spectrum (375 - 671 nm) was obtained. Formation of the SRG was observed with all used wavelengths and high birefringence values were obtained. Certain correlation between the absorption of the wavelength and photoinduced mass transport and birefringence is yet to be confirmed.

  10. Kinetics of Ion Transport in Perovskite Active Layers and Its Implications for Active Layer Stability.

    PubMed

    Bag, Monojit; Renna, Lawrence A; Adhikari, Ramesh Y; Karak, Supravat; Liu, Feng; Lahti, Paul M; Russell, Thomas P; Tuominen, Mark T; Venkataraman, D

    2015-10-14

    Solar cells fabricated using alkyl ammonium metal halides as light absorbers have the right combination of high power conversion efficiency and ease of fabrication to realize inexpensive but efficient thin film solar cells. However, they degrade under prolonged exposure to sunlight. Herein, we show that this degradation is quasi-reversible, and that it can be greatly lessened by simple modifications of the solar cell operating conditions. We studied perovskite devices using electrochemical impedance spectroscopy (EIS) with methylammonium (MA)-, formamidinium (FA)-, and MA(x)FA(1-x) lead triiodide as active layers. From variable temperature EIS studies, we found that the diffusion coefficient using MA ions was greater than when using FA ions. Structural studies using powder X-ray diffraction (PXRD) show that for MAPbI3 a structural change and lattice expansion occurs at device operating temperatures. On the basis of EIS and PXRD studies, we postulate that in MAPbI3 the predominant mechanism of accelerated device degradation under sunlight involves thermally activated fast ion transport coupled with a lattice-expanding phase transition, both of which are facilitated by absorption of the infrared component of the solar spectrum. Using these findings, we show that the devices show greatly improved operation lifetimes and stability under white-light emitting diodes, or under a solar simulator with an infrared cutoff filter or with cooling. PMID:26414066

  11. Some Kinetic and Metabolic Characteristics of Calcium-Induced Potassium Transport in Human Red Cells

    PubMed Central

    Kregenow, Floyd M.; Hoffman, Joseph F.

    1972-01-01

    When fresh human erythrocytes or their ghosts are incubated with Ca + IAA (iodoacetic acid) + adenosine, K permeability increases; K permeability also increases when energy-depleted cells or their ghosts are incubated with Ca alone. Na transport decreases or remains unaltered in both situations. The Ca-induced increase in K permeability in the depleted cell system is qualitatively similar to that seen in the fresh cell system and furnishes a means for studying the metabolic dependence of calcium's action. Studies with the depleted system suggest that the normal refractiveness of the cell to calcium is provided by a metabolically dependent substrate. Removal of this substrate allows Ca to enter the cell and exert its effect. By using 47Ca, a maximum value was obtained (3–7 x 10-6 moles/liter of red blood cells) for the quantity of calcium that is taken up by the cell and responsible for the change in K permeability. Measurements of the unidirectional fluxes of K, obtained during the time Ca increases K permeability, appear to satisfy the flux ratio equation for passive diffusion through a membrane. PMID:5074809

  12. [Comparison of the kinetics of ionophore-induced ion transport in conventional and solventless membranes].

    PubMed

    Laprade, R; Lapointe, J Y

    1982-03-01

    In contrast to conventional membranes prepared from a mixture of glyceryl-monooleate (GMO) and decane (GMO-D) which still contain decane in the final state, the membranes formed from a mixture of GMO and squalene (GMO-S) or triolein (GMO-T) contain finally only GMO and are said to be "solventless". The use of the electric current relaxation technique following a voltage jump has allowed us to characterize the effect of the absence of solvent on the various steps of ion transport induced by nonactin. We have measured the rates of formation (kri) of dissociation (kDi) and of translocation (kis) of the ion-ionophore complex as well as the rate of translocation of the ionophore (ks). With the GMO-S and GMO-T membranes, kis is about ten times higher, ks, twice as high, and kDi twice as small than with the GMO-D membranes. The observed effects are always more prominent with the GMO-T membranes. These results can be interpreted in terms of modifications of the energy barriers in the membrane due to the absence of solvent.

  13. The uptake of NO3-, NO2-, and NH4+ by intact wheat (Triticum aestivum) seedlings. I. Induction and kinetics of transport systems

    NASA Technical Reports Server (NTRS)

    Goyal, S. S.; Huffaker, R. C.

    1986-01-01

    The inducibility and kinetics of the NO3-, NO2-, and NH4+ transporters in roots of wheat seedlings (Triticum aestivum cv Yercora Rojo) were characterized using precise methods approaching constant analysis of the substrate solutions. A microcomputer-controlled automated high performance liquid chromatography system was used to determine the depletion of each N species (initially at 1 millimolar) from complete nutrient solutions. Uptake rate analyses were performed using computerized curve-fitting techniques. More precise estimates were obtained for the time required for the extent of the induction of each transporter. Up to 10 and 6 hours, respectively, were required to achieve apparent full induction of the NO3- and NO2- transporters. Evidence for substrate inducibility of the NH4+ transporters requiring 5 hours is presented. The transport of NO3- was mediated by a dual system (or dual phasic), whereas only single systems were found for transport of NO2- and NH4+. The Km values for NO3-, NO2-, and NH4+ were, respectively, 0.027, 0.054, and 0.05 millimolar. The Km for mechanism II of NO3- transport could not be defined in this study as it exhibited only apparent first order kinetics up to 1 millimolar.

  14. Ballistic thermal transport in monolayer transition-metal dichalcogenides: Role of atomic mass

    NASA Astrophysics Data System (ADS)

    Ma, Jinlong; Li, Wu; Luo, Xiaobing

    2016-02-01

    We investigate the ballistic thermal transport of monolayer transition-metal dichalcogenides (TMDs), which is crucial for the thermal management of their potential applications in nanoelectronics. We find the thermal conductance is mainly affected by the atomic masses of TMDs. As a consequence, the temperature dependences of thermal conductances of different TMDs cross: At low temperatures below ˜50 K, the thermal conductance increases with the atomic mass, while it exhibits the opposite trend at high temperatures. The crossing behavior of temperature dependent thermal conductance is characteristic of the atomic mass effect, and TMDs provide a model system demonstrating that the thermal conductance can be effectively manipulated via the atomic mass by selecting appropriate atom. In addition, we clarify that in any two dimensional system such as monolayer TMDs and graphene, due to quadratic dispersion of the out-of-plane modes, the thermal conductance and specific heat in the low temperature limit are proportional to T3/2 and T, respectively. Mainly because of much smaller group velocities of in-plane acoustic phonons, the high temperature thermal conductances of monolayer TMDs are much smaller than graphene. However, due to comparable group velocities of out-of-plane acoustic phonons, below 100 K thermal conductances of monolayer TMDs are rather comparable to graphene if taking the same layer thickness for comparison.

  15. Geocenter motion due to surface mass transport from GRACE satellite data

    NASA Astrophysics Data System (ADS)

    Riva, R. E. M.; van der Wal, W.; Lavallée, D. A.; Hashemi Farahani, H.; Ditmar, P.

    2012-04-01

    Measurements of mass redistribution from satellite gravimetry are insensitive to geocenter motions. However, geocenter motions can be constrained by satellite gravity data alone if we partition mass changes between land and oceans, under the assumption that the ocean is passive (i.e., in gravitational equilibrium with the land load and the solid earth). Here, we make use of 8 years (2003-2010) of optimally filtered monthly GRACE-based solutions produced at TU Delft to determine changes in the land load and the corresponding geocenter motion, through an iterative procedure. We pay particular attention to correcting for signal leakage caused by the limited spatial resolution of GRACE. We also investigate how the choice of a model of glacial isostatic adjustment (GIA) affects the estimated geocenter motion trend due to present-day surface mass transport. Finally, we separate the contribution of ice masses from that of land hydrology and show how they have a different sensitivity to the chosen GIA model and observational time-span.

  16. Flux dependent MeV self-ion-induced effects on Au nanostructures: dramatic mass transport and nanosilicide formation.

    PubMed

    Ghatak, J; Umananda Bhatta, M; Sundaravel, B; Nair, K G M; Liou, Sz-Chian; Chen, Cheng-Hsuan; Wang, Yuh-Lin; Satyam, P V

    2008-08-13

    We report a direct observation of dramatic mass transport due to 1.5 MeV Au(2+) ion impact on isolated Au nanostructures of average size ≈7.6 nm and height ≈6.9 nm that are deposited on Si(111) substrate under high flux (3.2 × 10(10)-6.3 × 10(12) ions cm(-2) s(-1)) conditions. The mass transport from nanostructures was found to extend up to a distance of about 60 nm into the substrate, much beyond their size. This forward mass transport is compared with the recoil implantation profiles using SRIM simulation. The observed anomalies with theory and simulations are discussed. At a given energy, the incident flux plays a major role in mass transport and its redistribution. The mass transport is explained on the basis of thermal effects and the creation of rapid diffusion paths in the nanoscale regime during the course of ion irradiation. The unusual mass transport is found to be associated with the formation of gold silicide nano-alloys at subsurfaces. The complexity of the ion-nanostructure interaction process is discussed with a direct observation of melting (in the form of spherical fragments on the surface) phenomena. Transmission electron microscopy, scanning transmission electron microscopy, and Rutherford backscattering spectroscopy methods have been used.

  17. Rapid kinetics of liver microsomal glucose-6-phosphatase. Evidence for tight-coupling between glucose-6-phosphate transport and phosphohydrolase activity

    SciTech Connect

    Berteloot, A.; Vidal, H.; van de Werve, G. )

    1991-03-25

    Rapid kinetics of both glucose-6-P uptake and hydrolysis in fasted rat liver microsomes were investigated with a recently developed fast-sampling, rapid-filtration apparatus. Experiments were confronted with both the substrate transport and conformational models currently proposed for the glucose-6-phosphatase system. Accumulation in microsomes of 14C products from (U-14C)glucose-6-P followed biexponential kinetics. From the inside to outside product concentrations, it could be inferred that mostly glucose should accumulate inside the vesicles. While biexponential kinetics are compatible with the mathematical predictions of a simplified substrate transport model, the latter fails in explaining the burst in total glucose production over a similar time scale to that used for the uptake measurements. Since the initial rate of the burst phase in untreated microsomes exactly matched the steady-state rate of glucose production in detergent-treated vesicles, it can be definitely concluded that the substrate transport model does not describe adequately our results. While the conformational model accounts for both the burst of glucose production and the kinetics of glucose accumulation into the vesicles, it cannot explain the burst in 32Pi production from (32P)glucose-6-P measured under the same conditions. Since the amplitude of the observed bursts is not compatible with a presteady state in enzyme activity, we propose that a hysteretic transition best explains our results in both untreated and permeabilized microsomes, thus providing a new rationale to understand the molecular mechanism of the glucose-6-phosphatase system.

  18. Mechanistic and Kinetic Analysis of Na2SO4-Modified Laterite Decomposition by Thermogravimetry Coupled with Mass Spectrometry.

    PubMed

    Yang, Song; Du, Wenguang; Shi, Pengzheng; Shangguan, Ju; Liu, Shoujun; Zhou, Changhai; Chen, Peng; Zhang, Qian; Fan, Huiling

    2016-01-01

    Nickel laterites cannot be effectively used in physical methods because of their poor crystallinity and fine grain size. Na2SO4 is the most efficient additive for grade enrichment and Ni recovery. However, how Na2SO4 affects the selective reduction of laterite ores has not been clearly investigated. This study investigated the decomposition of laterite with and without the addition of Na2SO4 in an argon atmosphere using thermogravimetry coupled with mass spectrometry (TG-MS). Approximately 25 mg of samples with 20 wt% Na2SO4 was pyrolyzed under a 100 ml/min Ar flow at a heating rate of 10°C/min from room temperature to 1300°C. The kinetic study was based on derivative thermogravimetric (DTG) curves. The evolution of the pyrolysis gas composition was detected by mass spectrometry, and the decomposition products were analyzed by X-ray diffraction (XRD). The decomposition behavior of laterite with the addition of Na2SO4 was similar to that of pure laterite below 800°C during the first three stages. However, in the fourth stage, the dolomite decomposed at 897°C, which is approximately 200°C lower than the decomposition of pure laterite. In the last stage, the laterite decomposed and emitted SO2 in the presence of Na2SO4 with an activation energy of 91.37 kJ/mol. The decomposition of laterite with and without the addition of Na2SO4 can be described by one first-order reaction. Moreover, the use of Na2SO4 as the modification agent can reduce the activation energy of laterite decomposition; thus, the reaction rate can be accelerated, and the reaction temperature can be markedly reduced. PMID:27333072

  19. Mechanistic and Kinetic Analysis of Na2SO4-Modified Laterite Decomposition by Thermogravimetry Coupled with Mass Spectrometry

    PubMed Central

    Yang, Song; Du, Wenguang; Shi, Pengzheng; Shangguan, Ju; Liu, Shoujun; Zhou, Changhai; Chen, Peng; Zhang, Qian; Fan, Huiling

    2016-01-01

    Nickel laterites cannot be effectively used in physical methods because of their poor crystallinity and fine grain size. Na2SO4 is the most efficient additive for grade enrichment and Ni recovery. However, how Na2SO4 affects the selective reduction of laterite ores has not been clearly investigated. This study investigated the decomposition of laterite with and without the addition of Na2SO4 in an argon atmosphere using thermogravimetry coupled with mass spectrometry (TG-MS). Approximately 25 mg of samples with 20 wt% Na2SO4 was pyrolyzed under a 100 ml/min Ar flow at a heating rate of 10°C/min from room temperature to 1300°C. The kinetic study was based on derivative thermogravimetric (DTG) curves. The evolution of the pyrolysis gas composition was detected by mass spectrometry, and the decomposition products were analyzed by X-ray diffraction (XRD). The decomposition behavior of laterite with the addition of Na2SO4 was similar to that of pure laterite below 800°C during the first three stages. However, in the fourth stage, the dolomite decomposed at 897°C, which is approximately 200°C lower than the decomposition of pure laterite. In the last stage, the laterite decomposed and emitted SO2 in the presence of Na2SO4 with an activation energy of 91.37 kJ/mol. The decomposition of laterite with and without the addition of Na2SO4 can be described by one first-order reaction. Moreover, the use of Na2SO4 as the modification agent can reduce the activation energy of laterite decomposition; thus, the reaction rate can be accelerated, and the reaction temperature can be markedly reduced. PMID:27333072

  20. Mechanistic and Kinetic Analysis of Na2SO4-Modified Laterite Decomposition by Thermogravimetry Coupled with Mass Spectrometry.

    PubMed

    Yang, Song; Du, Wenguang; Shi, Pengzheng; Shangguan, Ju; Liu, Shoujun; Zhou, Changhai; Chen, Peng; Zhang, Qian; Fan, Huiling

    2016-01-01

    Nickel laterites cannot be effectively used in physical methods because of their poor crystallinity and fine grain size. Na2SO4 is the most efficient additive for grade enrichment and Ni recovery. However, how Na2SO4 affects the selective reduction of laterite ores has not been clearly investigated. This study investigated the decomposition of laterite with and without the addition of Na2SO4 in an argon atmosphere using thermogravimetry coupled with mass spectrometry (TG-MS). Approximately 25 mg of samples with 20 wt% Na2SO4 was pyrolyzed under a 100 ml/min Ar flow at a heating rate of 10°C/min from room temperature to 1300°C. The kinetic study was based on derivative thermogravimetric (DTG) curves. The evolution of the pyrolysis gas composition was detected by mass spectrometry, and the decomposition products were analyzed by X-ray diffraction (XRD). The decomposition behavior of laterite with the addition of Na2SO4 was similar to that of pure laterite below 800°C during the first three stages. However, in the fourth stage, the dolomite decomposed at 897°C, which is approximately 200°C lower than the decomposition of pure laterite. In the last stage, the laterite decomposed and emitted SO2 in the presence of Na2SO4 with an activation energy of 91.37 kJ/mol. The decomposition of laterite with and without the addition of Na2SO4 can be described by one first-order reaction. Moreover, the use of Na2SO4 as the modification agent can reduce the activation energy of laterite decomposition; thus, the reaction rate can be accelerated, and the reaction temperature can be markedly reduced.

  1. Synchrotron Photoionization Mass Spectrometry Measurements of Kinetics and Product Formation in the Allyl Radical (H2CCHCH2)Self Reaction

    NASA Technical Reports Server (NTRS)

    Selby, Talitha M.; Melini, giovanni; Goulay, Fabien; Leone, Stephen R.; Fahr, Askar; Taatjes, Craig A.; Osborn, David L.

    2008-01-01

    Product channels for the self-reaction of the resonance-stabilized allyl radical, C3H5 + C3H5, have been studied with isomeric specificity at temperatures from 300-600 K and pressures from 1-6 Torr using time-resolved multiplexed photoionization mass spectrometry. Under these conditions 1,5-hexadiene was the only C6H10 product isomer detected. The lack of isomerization of the C6H10 product is in marked contrast to the C6H6 product in the related C3H3 + C3H3 reaction, and is due to the more saturated electronic structure of the C6H10 system. The disproportionation product channel, yielding allene + propene, was also detected, with an upper limit on the branching fraction relative to recombination of 0.03. Analysis of the allyl radical decay at 298 K yielded a total rate coefficient of (2.7 +/- 0.8) x 10(exp -11) cu cm/molecule/s, in good agreement with pre.vious experimental measurements using ultraviolet kinetic absorption spectroscopy and a recent theoretical determination using variable reaction coordinate transition state theory. This result provides independent indirect support for the literature value of the allyl radical ultraviolet absorption cross-section near 223 nm.

  2. Mode conversion and anomalous transport in Kelvin-Helmholtz vortices and kinetic Alfvén waves at the Earth's magnetopause.

    PubMed

    Chaston, C C; Wilber, M; Mozer, F S; Fujimoto, M; Goldstein, M L; Acuna, M; Reme, H; Fazakerley, A

    2007-10-26

    Observations at the Earth's magnetopause identify mode conversion from surface to kinetic Alfvén waves at the Alfvén resonance. Kinetic Alfvén waves radiate into the magnetosphere from the resonance with parallel scales up to the order of the geomagnetic field-line length and spectral energy densities obeying a k(perpendicular)(-2.4) power law. Amplitudes at the Alfvén resonance are sufficient to both demagnetize ions across the magnetopause and provide field-aligned electron bursts. These waves provide diffusive transport across the magnetopause sufficient for boundary layer formation.

  3. Influence of power ultrasound application on mass transport and microstructure of orange peel during hot air drying

    NASA Astrophysics Data System (ADS)

    Ortuño, Carmen; Pérez-Munuera, Isabel; Puig, Ana; Riera, Enrique; Garcia-Perez, J. V.

    2010-01-01

    Power ultrasound application on convective drying of foodstuffs may be considered an emergent technology. This work deals with the influence of power ultrasound on drying of natural materials addressing the kinetic as well as the product's microstructure. Convective drying kinetics of orange peel slabs (thickness 5.95±0.41 mm) were carried out at 40 ∘C and 1 m/s with (US) and without (AIR) power ultrasound application. A diffusion model considering external resistance to mass transfer was considered to describe drying kinetics. Fresh, US and AIR dried samples were analyzed using Cryo-SEM. Results showed that drying kinetics of orange peel were significantly improved by the application of power ultrasound. From modeling, it was observed a significant (p¡0.05) increase in both mass transfer coefficient and effective moisture diffusivity. The effects on mass transfer properties were confirmed from microestructural observations. In the cuticle surface, the pores were obstructed by wax components scattering, which evidence the ultrasonic effects on the interfaces. The cells of the flavedo were compressed and large intercellular air spaces were generated in the albedo facilitating water transfer through it.

  4. The synergistic effect of ultrasound and chemical penetration enhancers on chorioamnion mass transport.

    PubMed

    Azagury, Aharon; Khoury, Luai; Adato, Yair; Wolloch, Lior; Ariel, Ilana; Hallak, Mordechai; Kost, Joseph

    2015-02-28

    In our previous study we proposed the use of chemical penetration enhancers for noninvasive detection of fetus abnormalities that can also be utilized for direct fetal drug delivery. In an attempt to further increase the mass transport rate across the amniotic membrane, thus shortening the procedure and improving the applicability of the proposed procedure, the effect and mechanism of combining ultrasound exposure with chemical penetration enhancers' application were assessed. The combined effect was evaluated in vitro on post-delivery human amniotic membrane and ex vivo on rat's whole amniotic sac. Ultrasound effect has been assessed by dye experiments using a customized image analysis program. Additional insights of ultrasound effect's mechanism on biological membranes are presented. Previously we have determined that chemical penetration enhancers affect the fetal membranes via two mechanisms termed as 'extractors' and 'fluidizers'. In this study, we found that combining ultrasound with a 'fluidizer' CPE (e.g. bupivacaine) results in a synergistic enhancement (90-fold) of fetal membrane's mass transport, while combining ultrasound with 'extractors' (e.g. ethanol and NMP) results in an antagonistic effect. The combined procedure is faster and gain greater accuracy than the applications of sole chemical penetration enhancers.

  5. Kinetic modeling of microbially-driven redox chemistry of radionuclides in subsurface environments: coupling transport, microbial metabolism and geochemistry.

    PubMed

    Wang, Y; Papenguth, H W

    2001-02-01

    Microbial reactions play an important role in regulating pore water chemistry as well as secondary mineral distribution in many subsurface systems and, therefore, may directly impact radionuclide migration in those systems. This paper presents a general modeling approach to couple microbial metabolism, redox chemistry, and radionuclide transport in a subsurface environment. To account for the likely achievement of quasi-steady state biomass accumulations in subsurface environments, a modification to the traditional microbial growth kinetic equation is proposed. The conditions for using biogeochemical models with or without an explicit representation of biomass growth are clarified. Based on the general approach proposed in this paper, the couplings of uranium reactions with biogeochemical processes are incorporated into computer code BIORXNTRN Version 2.0. The code is then used to simulate a subsurface contaminant migration scenario, in which a water flow containing both uranium and a complexing organic ligand is recharged into an oxic carbonate aquifer. The model simulation shows that Mn and Fe oxyhydroxides may vary significantly along a flow path. The simulation also shows that uranium(VI) can be reduced and therefore immobilized in the anoxic zone created by microbial degradation.

  6. Kinetic modeling of microbially-driven redox chemistry of radionuclides in subsurface environments: Coupling transport, microbial metabolism and geochemistry

    SciTech Connect

    WANG,YIFENG; PAPENGUTH,HANS W.

    2000-05-04

    Microbial degradation of organic matter is a driving force in many subsurface geochemical systems, and therefore may have significant impacts on the fate of radionuclides released into subsurface environments. In this paper, the authors present a general reaction-transport model for microbial metabolism, redox chemistry, and radionuclide migration in subsurface systems. The model explicitly accounts for biomass accumulation and the coupling of radionuclide redox reactions with major biogeochemical processes. Based on the consideration that the biomass accumulation in subsurface environments is likely to achieve a quasi-steady state, they have accordingly modified the traditional microbial growth kinetic equation. They justified the use of the biogeochemical models without the explicit representation of biomass accumulation, if the interest of modeling is in the net impact of microbial reactions on geochemical processes. They then applied their model to a scenario in which an oxic water flow containing both uranium and completing organic ligands is recharged into an oxic aquifer in a carbonate formation. The model simulation shows that uranium can be reduced and therefore immobilized in the anoxic zone created by microbial degradation.

  7. Technologies Involved in Configuring an Advanced Earth-to-Orbit Transport for Low Structural Mass

    NASA Technical Reports Server (NTRS)

    MacConochie, Ian O.; Klich, Phillip J.

    1980-01-01

    The current space shuttle is expected to adequately meet Government and industry needs for the transport of cargo to and from orbit well into the 1990's. However, continual study of potential follow-on shuttle systems is necessary and desirable in order to complement ongoing research in materials, structures, propulsion, aerodynamics, and other related areas. By studying alternate systems well in advance, it will be possible to explore the various technologies and develop those for which there is the greatest apparent payoff. In this paper a single-stage Earth-to-orbit transport designed for delivery of approximately 29,500 kg (65,000 lb) payload will be described. The vehicle, which takes off vertically and lands horizontally, is 60 m (197 feet) long and weighs approximately 1.8 Gg (4 M lb) at liftoff. In the interest of weight reduction, a simple body of revolution is utilized for the main body shell. In this design the main propulsion tanks serve as a primary load-carrying structure. Further, in order to minimize structural mass, the cargo bay is located between two of the main propellant tanks. The cargo volume, at 396 cu m (14,000 cu feet), exceeds that provided by the shuttle; but the bay itself is nonconforming in shape - being approximately 10 m (32 feet) in diameter by 5 m (17 feet) long. Dual-fuel propulsion is employed, since a number of studies have shown that (though lowering performance) the operation of hydrocarbon (RP) engines in parallel with LOX/LH2 engines results in a net reduction in the vehicle's physical size and structural mass. Other weight-saving features entail the extensive use of honeycomb sandwiches, advanced materials, and advanced fabrication techniques. The vehicle presented is utilized only as a means to study and identify various technologies needed in order to develop a low mass Earth-to-orbit transportation system for the future. The conclusion of this study is that vehicle geometry and structural/materials technology are

  8. Imaging ion and molecular transport at subcellular resolution by secondary ion mass spectrometry

    NASA Astrophysics Data System (ADS)

    Chandra, Subhash; Morrison, George H.

    1995-05-01

    The transport of K+, Na+, and Ca2+ were imaged in individual cells with a Cameca IMS-3f ion microscope. Strict cryogenic frozen freeze-dry sample preparations were employed. Ion redistribution artifacts in conventional chemical preparations are discussed. Cryogenically prepared freeze-fractured freeze-dried cultured cells allowed the three-dimensional ion microscopic imaging of elements. As smaller structures in calcium images can be resolved with the 0.5 [mu]m spatial resolution, correlative techniques are needed to confirm their identity. The potentials of reflected light microscopy, scanning electron microscopy and laser scanning confocal microscopy are discussed for microfeature recognition in freeze-fractured freeze-dried cells. The feasibility of using frozen freeze-dried cells for imaging molecular transport at subcellular resolution was tested. Ion microscopy successfully imaged the transport of the isotopically tagged (13C, 15N) amino acid, -arginine. The labeled amino acid was imaged at mass 28 with a Cs+ primary ion beam as the 28(13C15N)- species. After a 4 h exposure of LLC-PK1 kidney cells to 4 mM labeled arginine, the amino acid was localized throughout the cell with a preferential incorporation into the nucleus and nucleolus. An example is also shown of the ion microscopic imaging of sodium borocaptate, an experimental therapeutic drug for brain tumors, in cryogenically prepared frozen freeze-dried Swiss 3T3 cells.

  9. A heuristic simulation model of Lake Ontario circulation and mass balance transport

    USGS Publications Warehouse

    McKenna, J.E.; Chalupnicki, M.A.

    2011-01-01

    The redistribution of suspended organisms and materials by large-scale currents is part of natural ecological processes in large aquatic systems but can contribute to ecosystem disruption when exotic elements are introduced into the system. Toxic compounds and planktonic organisms spend various lengths of time in suspension before settling to the bottom or otherwise being removed. We constructed a simple physical simulation model, including the influence of major tributaries, to qualitatively examine circulation patterns in Lake Ontario. We used a simple mass balance approach to estimate the relative water input to and export from each of 10 depth regime-specific compartments (nearshore vs. offshore) comprising Lake Ontario. Despite its simplicity, our model produced circulation patterns similar to those reported by more complex studies in the literature. A three-gyre pattern, with the classic large counterclockwise central lake circulation, and a simpler two-gyre system were both observed. These qualitative simulations indicate little offshore transport along the south shore, except near the mouths of the Niagara River and Oswego River. Complex flow structure was evident, particularly near the Niagara River mouth and in offshore waters of the eastern basin. Average Lake Ontario residence time is 8 years, but the fastest model pathway indicated potential transport of plankton through the lake in as little as 60 days. This simulation illustrates potential invasion pathways and provides rough estimates of planktonic larval dispersal or chemical transport among nearshore and offshore areas of Lake Ontario. ?? 2011 Taylor & Francis.

  10. Feeding the "aneurysm": Orogen-parallel mass transport into Nanga Parbat and the western Himalayan syntaxis

    NASA Astrophysics Data System (ADS)

    Whipp, David M.; Beaumont, Christopher; Braun, Jean

    2014-06-01

    The Nanga Parbat-Haramosh massif (NPHM; western Himalayan syntaxis) requires an influx of mass exceeding that in the adjacent Himalayan arc to sustain high topography and rapid erosional exhumation rates. What supplies this mass flux and feeds this "tectonic aneurysm?" We show, using a simple 3-D model of oblique orogen convergence, that velocity/strain partitioning results in horizontal orogen-parallel (OP) crustal transport, and the same behavior is inferred for the Himalaya, with OP transport diverting converging crust toward the syntaxis. Model results also show that the OP flow rate decreases in the syntaxis, thereby thickening the crust and forming a structure like the NPHM. The additional crustal thickening, over and above that elsewhere in the Himalayan arc, sustains the rapid exhumation of this "aneurysm." Normally, velocity/strain partitioning would be minimal for the Himalayan arc where the convergence obliquity is no greater than ~40°. However, we show analytically that the Himalayan system can act both as a critical wedge and exhibit strain partitioning if both the detachment beneath the wedge and the bounding rear shear zone, which accommodates OP transport, are very weak. Corresponding numerical results confirm this requirement and demonstrate that a Nanga Parbat-type shortening structure can develop spontaneously if the orogenic wedge and bounding rear shear zone can strain rate soften while active. These results lead us to question whether the position of NPHM aneurysm is localized by river incision, as previously suggested, or by a priori focused tectonic shortening of the crust in the syntaxis region as demonstrated by our models.

  11. Microbial air quality in mass transport buses and work-related illness among bus drivers of Bangkok Mass Transit Authority.

    PubMed

    Luksamijarulkul, Pipat; Sundhiyodhin, Viboonsri; Luksamijarulkul, Soavalug; Kaewboonchoo, Orawan

    2004-06-01

    The air quality in mass transport buses, especially air-conditioned buses may affect bus drivers who work full time. Bus numbers 16, 63, 67 and 166 of the Seventh Bus Zone of Bangkok Mass Transit Authority were randomly selected to investigate for microbial air quality. Nine air-conditioned buses and 2-4 open-air buses for each number of the bus (36 air-conditioned buses and 12 open-air buses) were included. Five points of in-bus air samples in each studied bus were collected by using the Millipore A ir Tester Totally, 180 and 60 air samples collected from air-conditioned buses and open-air buses were cultured for bacterial and fungal counts. The bus drivers who drove the studied buses were interviewed towards histories of work-related illness while working. The results revealed that the mean +/- SD of bacterial counts in the studied open-air buses ranged from 358.50 +/- 146.66 CFU/m3 to 506 +/- 137.62 CFU/m3; bus number 16 had the highest level. As well as the mean +/- SD of fungal counts which ranged from 93.33 +/- 44.83 CFU/m3 to 302 +/- 294.65 CFU/m3; bus number 166 had the highest level. Whereas, the mean +/- SD of bacterial counts in the studied air-conditioned buses ranged from 115.24 +/- 136.01 CFU/m3 to 244.69 +/- 234.85 CFU/m3; bus numbers 16 and 67 had the highest level. As well as the mean +/- SD of fungal counts which rangedfrom 18.84 +/- 39.42 CFU/m3 to 96.13 +/- 234.76 CFU/m3; bus number 166 had the highest level. When 180 and 60 studied air samples were analyzed in detail, it was found that 33.33% of the air samples from open-air buses and 6.11% of air samples from air-conditioned buses had a high level of bacterial counts (> 500 CFU/m3) while 6.67% of air samples from open-air buses and 2.78% of air samples from air-conditioned buses had a high level of fungal counts (> 500 CFU/m3). Data from the history of work-related illnesses among the studied bus drivers showed that 91.67% of open-air bus drivers and 57.28% of air-conditioned bus drivers had

  12. Arabian Night and Sea Story - Biomarkers from a Giant Mass Transport Deposit.

    NASA Astrophysics Data System (ADS)

    Bratenkov, Sophia; Kulhanek, Denise K.; Clift, Peter D.; George, Simon C.

    2016-04-01

    The study of mass transport deposits (MTDs) is an important field of research due to the potential insights into catastrophic events in the past and modern geohazard threats (e.g. tsunamis). Submarine mass movements are very significant processes in sculpturing the structure of continental margins, particularly in their extent and magnitude that have consequences both in the modern day, as well as in the geological past. An understanding of the complex stratigraphy of a submarine mass transport deposit (MTD) might help in reconstructing the provenance and transport pathways of sedimentary material and thus give important insights into sedimentary dynamics and processes triggering specific events. Drilling operations during International Ocean Discovery Program (IODP) Expedition 355 Arabian Sea Monsoon, which took place during April and May, 2015 cored two sites in Laxmi Basin. Site U1456 was cored to 1109.4 m below seafloor (mbsf), with the oldest recovered rock dated to ~13.5-17.7 Ma. Site U1457 was cored to 1108.6 mbsf, with the oldest rock dated to ~62 Ma. At each site, we cored through ~330 m and ~190 m of MTD material. The MTD layers mainly consist of interbedded lithologies of dark grey claystone, light greenish calcarenite and calcilutite, and conglomerate/breccia, with ages based on calcareous nannofossil and foraminifer biostratigraphy ranging from the Eocene to early Miocene (Pandey et al., 2015). This MTD, known as Nataraja Slide, is the third largest MTD known from the geological record and the second largest on a passive margin. Calvés et al. (2015) identified a potential source area offshore Sourashstra on the Indian continental margin and invoked the single step mass movement model to explain the mechanism of emplacement. Initial shipboard work demonstrated the high variability in total organic carbon and total nitrogen levels in different layers within the MTD, which raises a number of questions related to the source and composition of the organic

  13. Kinetic Monte Carlo model of charge transport in hematite ({alpha}-Fe{sub 2}O{sub 3})

    SciTech Connect

    Kerisit, Sebastien; Rosso, Kevin M.

    2007-09-28

    The mobility of electrons injected into iron oxide minerals via abiotic and biotic electron transfer processes is one of the key factors that control the reductive dissolution of such minerals. Building upon our previous work on the computational modeling of elementary electron transfer reactions in iron oxide minerals using ab initio electronic structure calculations and parametrized molecular dynamics simulations, we have developed and implemented a kinetic Monte Carlo model of charge transport in hematite that integrates previous findings. The model aims to simulate the interplay between electron transfer processes for extended periods of time in lattices of increasing complexity. The electron transfer reactions considered here involve the II/III valence interchange between nearest-neighbor iron atoms via a small polaron hopping mechanism. The temperature dependence and anisotropic behavior of the electrical conductivity as predicted by our model are in good agreement with experimental data on hematite single crystals. In addition, we characterize the effect of electron polaron concentration and that of a range of defects on the electron mobility. Interaction potentials between electron polarons and fixed defects (iron substitution by divalent, tetravalent, and isovalent ions and iron and oxygen vacancies) are determined from atomistic simulations, based on the same model used to derive the electron transfer parameters, and show little deviation from the Coulombic interaction energy. Integration of the interaction potentials in the kinetic Monte Carlo simulations allows the electron polaron diffusion coefficient and density and residence time around defect sites to be determined as a function of polaron concentration in the presence of repulsive and attractive defects. The decrease in diffusion coefficient with polaron concentration follows a logarithmic function up to the highest concentration considered, i.e., {approx}2% of iron(III) sites, whereas the

  14. Nonlinear generation of kinetic-scale waves by magnetohydrodynamic Alfvén waves and nonlocal spectral transport in the solar wind

    SciTech Connect

    Zhao, J. S.; Wu, D. J.; Voitenko, Y.; De Keyser, J.

    2014-04-20

    We study the nonlocal nonlinear coupling and generation of kinetic Alfvén waves (KAWs) and kinetic slow waves (KSWs) by magnetohydrodynamic Alfvén waves (MHD AWs) in conditions typical for the solar wind in the inner heliosphere. This cross-scale process provides an alternative to the turbulent energy cascade passing through many intermediate scales. The nonlinearities we study are proportional to the scalar products of wave vectors and hence are called 'scalar' ones. Despite the strong Landau damping of kinetic waves, we found fast growing KAWs and KSWs at perpendicular wavelengths close to the ion gyroradius. Using the parametric decay formalism, we investigate two independent decay channels for the pump AW: forward decay (involving co-propagating product waves) and backward decay (involving counter-propagating product waves). The growth rate of the forward decay is typically 0.05 but can exceed 0.1 of the pump wave frequency. The resulting spectral transport is nonlocal and anisotropic, sharply increasing perpendicular wavenumbers but not parallel ones. AWs and KAWs propagating against the pump AW grow with about the same rate and contribute to the sunward wave flux in the solar wind. Our results suggest that the nonlocal decay of MHD AWs into KAWs and KSWs is a robust mechanism for the cross-scale spectral transport of the wave energy from MHD to dissipative kinetic scales in the solar wind and similar media.

  15. Nitrogen transport and transformations in a shallow aquifer receiving wastewater discharge: A mass balance approach

    USGS Publications Warehouse

    DeSimone, L.A.; Howes, B.L.

    1998-01-01

    Nitrogen transport and transformations were followed over the initial 3 years of development of a plume of wastewater-contaminated groundwater in Cape Cod, Massachusetts. Ammonification and nitrification in the unsaturated zone and ammonium sorption in the saturated zone were predominant, while loss of fixed nitrogen through denitrification was minor. The major effect of transport was the oxidation of discharged organic and inorganic forms to nitrate, which was the dominant nitrogen form in transit to receiving systems. Ammonification and nitrification in the unsaturated zone transformed 16-19% and 50-70%, respectively, of the total nitrogen mass discharged to the land surface during the study but did not attenuate the nitrogen loading. Nitrification in the unsaturated zone also contributed to a pH decrease of 2 standard units and to an N2O increase (46-660 ??g N/L in the plume). Other processes in the unsaturated zone had little net effect: Ammonium sorption removed <1% of the total discharged nitrogen mass; filtering of particulate organic nitrogen was less than 3%; ammonium and nitrate assimilation was less than 6%; and ammonia volatilization was less than 0.25%. In the saturated zone a central zone of anoxic groundwater (DO ??? 0.05 mg/L) was first detected 17 months after effluent discharge to the aquifer began, which expanded at about the groundwater-flow velocity. Although nitrate was dominant at the water table, the low, carbon-limited rates of denitrification in the anoxic zone (3.0-9.6 (ng N/cm3)/d) reduced only about 2% of the recharged nitrogen mass to N2. In contrast, ammonium sorption in the saturated zone removed about 16% of the recharged nitrogen mass from the groundwater. Ammonium sorption was primarily limited to anoxic zone, where nitrification was prevented, and was best described by a Langmuir isotherm in which effluent ionic concentrations were simulated. The initial nitrogen load discharged from the groundwater system may depend largely on

  16. Photosensitized degradation kinetics of trace halogenated contaminants in natural waters using membrane introduction mass spectrometry as an in situ reaction monitor.

    PubMed

    Letourneau, Dane R; Gill, Chris G; Krogh, Erik T

    2015-11-01

    The photochemically mediated dechlorination of polyhalogenated compounds represents a potential decontamination strategy and a relevant environmental process in chemically reducing media. We report the UV irradiation of natural and artificial waters containing natural dissolved organic matter to effect the photo-sensitized degradation of chlorinated organic compounds, including tetrachloromethane, 1,1,1-tricloroethane, perchloroethene, 1,2-dibromo-3-chloropropane and chlorobenzene at trace (ppb) levels in aqueous solution. The degradation kinetics are followed in situ using membrane introduction mass spectrometry. By re-circulating the reaction mixture in a closed loop configuration over a semi-permeable hollow fiber polydimethylsiloxane membrane in a flow cell interface, volatile and semi-volatile compounds are continuously monitored using a quadrupole ion trap mass spectrometer. The time resolved quantitative information provides useful mechanistic insights, including kinetic data. Pseudo first-order rate constants for the degradation of contaminant mixtures in natural waters are reported. PMID:26439106

  17. Study of mass and heat transport of the tropical Atlantic Ocean using models and altimeter data

    NASA Technical Reports Server (NTRS)

    Merle, Jacques; Arnault, S.; Morliere, A.; Verstraete, J. M.; Menard, Yves; Gourdeau, L.

    1991-01-01

    The specific objectives of this proposal are: (1) to assess the quality of the TOPEX/POSEIDON surface altimeter data in regard to its use for a large, low-frequency monitoring of the surface topography of the tropical Atlantic Ocean; (2) to develop a method, on a demonstration basis, to derive from the tropical Atlantic the depth of the thermocline and the heat content changes from the surface altimeter data field; (3) to develop a method of assimilation of altimeter data into Oceanic General Circulation Models (OGCM's) for the purpose of preparing an operational, permanent, three-dimensional now casting of the tropical Atlantic Ocean (a TOGA objective); and (4) to derive from these models global circulation fields and a time series of mass and meridional heat transports across the tropical Atlantic region (a WOCE objective).

  18. Solvent-driven electron trapping and mass transport in reduced graphites to access perfect graphene

    PubMed Central

    Vecera, Philipp; Holzwarth, Johannes; Edelthalhammer, Konstantin F.; Mundloch, Udo; Peterlik, Herwig; Hauke, Frank; Hirsch, Andreas

    2016-01-01

    Herein, we report on a significant discovery, namely, the quantitative discharging of reduced graphite forms, such as graphite intercalation compounds, graphenide dispersions and graphenides deposited on surfaces with the simple solvent benzonitrile. Because of its comparatively low reduction potential, benzonitrile is reduced during this process to the radical anion, which exhibits a red colour and serves as a reporter molecule for the quantitative determination of negative charges on the carbon sheets. Moreover, this discovery reveals a very fundamental physical–chemical phenomenon, namely a quantitative solvent reduction induced and electrostatically driven mass transport of K+ ions from the graphite intercalation compounds into the liquid. The simple treatment of dispersed graphenides suspended on silica substrates with benzonitrile leads to the clean conversion to graphene. This unprecedented procedure represents a rather mild, scalable and inexpensive method for graphene production surpassing previous wet-chemical approaches. PMID:27506380

  19. Loss of cabin pressure in a military transport: a mass casualty with decompression illnesses.

    PubMed

    Johnston, Mickaila J

    2008-04-01

    Presented here is the sudden cabin depressurization of a military C-130 aircraft carrying 66 personnel. They suffered a depressurization from 2134 to 7317 m, resulting in a potential 66-person mass casualty. The aircrew were able to descend to below 3049 m in less than 5 min. They landed in the Kingdom of Bahrain--the nearest hyperbaric recompression facility. Three cases of peripheral neurologic DCS and one case of spinal DCS were identified. Limited manning, unique host nation concerns, and limited available assets led to difficulties in triage, patient transport, and asset allocation. These led to difficult decisions regarding when and for whom to initiate ground level oxygen or hyperbaric recompression therapy.

  20. The Sheath Transport Observer for the Redistribution of Mass (STORM) Image

    NASA Technical Reports Server (NTRS)

    Kuntz, Kip; Collier, Michael; Sibeck, David G.; Porter, F. Scott; Carter, J. A.; Cravens, Thomas; Omidi, N.; Robertson, Ina; Sembay, S.; Snowden, Steven L.

    2008-01-01

    All of the solar wind energy that powers magnetospheric processes passes through the magnetosheath and magnetopause. Global images of the magnetosheath and magnetopause boundary layers will resolve longstanding controversy surrounding fundamental phenomena that occur at the magnetopause and provide information needed to improve operational space weather models. Recent developments showing that soft X-rays (0.15-1 keV) result from high charge state solar wind ions undergoing charge exchange recombination through collisions with exospheric neutral atoms has led to the realization that soft X-ray imaging can provide global maps of the high-density shocked solar wind within the magnetosheath and cusps, regions lying between the lower density solar wind and magnetosphere. We discuss an instrument concept called the Sheath Transport Observer for the Redistribution of Mass (STORM), an X-ray imager suitable for simultaneously imaging the dayside magnetosheath, the magnetopause boundary layers, and the cusps.

  1. Mass transport, corrosion, plugging, and their reduction in solar dish/Stirling heat pipe receivers

    SciTech Connect

    Adkins, D.R.; Andraka, C.E.; Bradshaw, R.W.; Goods, S.H.; Moreno, J.B.; Moss, T.A.

    1996-07-01

    Solar dish/Stirling systems using sodium heat pipe receivers are being developed by industry and government laboratories here and abroad. The unique demands of this application lead to heat pipe wicks with very large surface areas and complex three-dimensional flow patterns. These characteristics can enhance the mass transport and concentration of constituents of the wick material, resulting in wick corrosion and plugging. As the test times for heat pipe receivers lengthen, we are beginning to see these effects both indirectly, as they affect performance, and directly in post-test examinations. We are also beginning to develop corrective measures. In this paper, we report on our test experiences, our post-test examinations, and on our initial effort to ameliorate various problems.

  2. Contribution of di-SIA to mass transport in Fe-Cr alloys

    NASA Astrophysics Data System (ADS)

    Ryabov, V. A.; Pechenkin, V. A.; Molodtsov, V. L.; Terentyev, D.

    2016-04-01

    Molecular dynamics simulations have been performed to study the diffusion characteristics of di-self interstitial atom (di-SIA) in BCC Fe-Cr alloys and corresponding mass transport of Fe and Cratoms in the temperature range 600-1000 K in the alloys with Cr content 5-25 at%, which is relevant for ferritic/martensitic steels. An original treatment is proposed in this work to account for a mixed migration mode composed of the diffusion of the cluster itself and break-up into a pair of independent SIAs. The ratio of self-diffusion coefficients of Cr and Fe is found to exceed unity in Fe-5Cr and Fe-10Cr alloys, which implies that under cascade-producing damage, 3D-migrating small SIA clusters will effectively contribute to the segregation of Cr to neutral and SIA-preferential sinks, eventually causing radiation induced segregation.

  3. A biphasic hyperelastic model for the analysis of fluid and mass transport in brain tissue.

    PubMed

    García, José Jaime; Smith, Joshua H

    2009-02-01

    A biphasic hyperelastic finite element model is proposed for the description of the mechanical behavior of brain tissue. The model takes into account finite deformations through an Ogden-type hyperelastic compressible function and a hydraulic conductivity dependent on deformation. The biphasic equations, implemented here for spherical symmetry using an updated Lagrangian algorithm, yielded radial coordinates and fluid velocities that were used with the convective-diffusive equation in order to predict mass transport in the brain. Results of the model were equal to those of a closed-form solution under infinitesimal deformations, however, for a wide range of material parameters, the model predicted important increments in the infusion sphere, reductions of the fluid velocities, and changes in the species content distribution. In addition, high localized deformation and stresses were obtained at the infusion sphere. Differences with the infinitesimal solution may be mainly attributed to geometrical nonlinearities related to the increment of the infusion sphere and not to material nonlinearities.

  4. A biphasic hyperelastic model for the analysis of fluid and mass transport in brain tissue.

    PubMed

    García, José Jaime; Smith, Joshua H

    2009-02-01

    A biphasic hyperelastic finite element model is proposed for the description of the mechanical behavior of brain tissue. The model takes into account finite deformations through an Ogden-type hyperelastic compressible function and a hydraulic conductivity dependent on deformation. The biphasic equations, implemented here for spherical symmetry using an updated Lagrangian algorithm, yielded radial coordinates and fluid velocities that were used with the convective-diffusive equation in order to predict mass transport in the brain. Results of the model were equal to those of a closed-form solution under infinitesimal deformations, however, for a wide range of material parameters, the model predicted important increments in the infusion sphere, reductions of the fluid velocities, and changes in the species content distribution. In addition, high localized deformation and stresses were obtained at the infusion sphere. Differences with the infinitesimal solution may be mainly attributed to geometrical nonlinearities related to the increment of the infusion sphere and not to material nonlinearities. PMID:19058008

  5. Decay characteristics of surface mounds with contrasting interlayer mass transport channels.

    PubMed

    Li, M; Wendelken, J F; Liu, B G; Wang, E G; Zhang, Z

    2001-03-12

    The decay characteristics of three-dimensional (3D) islands formed on surfaces are investigated theoretically considering two types of interlayer mass transport mechanisms. If an adatom on a given layer can easily descend from any site along the periphery of the layer, an optimal island slope and a constant terrace width will be selected during the decay. In contrast, if the adatom can descend primarily through selective (such as kinked) sites, the decay will be accompanied by a gradual increase in the island slope. These generic conclusions provide the basis for a microscopic understanding of the decay of nanostructures in fcc(111) and fcc(100) metal homoepitaxy and are applicable to other systems as well.

  6. Decay Characteristics of Surface Mounds with Contrasting Interlayer Mass Transport Channels

    SciTech Connect

    Li, Maozhi; Wendelken, J. F.; Liu, Bang-Gui; Wang, E. G.; Zhang, Zhenyu

    2001-03-12

    The decay characteristics of three-dimensional (3D) islands formed on surfaces are investigated theoretically considering two types of interlayer mass transport mechanisms. If an adatom on a given layer can easily descend from any site along the periphery of the layer, an optimal island slope and a constant terrace width will be selected during the decay. In contrast, if the adatom can descend primarily through selective (such as kinked) sites, the decay will be accompanied by a gradual increase in the island slope. These generic conclusions provide the basis for a microscopic understanding of the decay of nanostructures in fcc(111) and fcc(100) metal homoepitaxy and are applicable to other systems as well.

  7. The Sheath Transport Observer for the Redistribution of Mass (STORM) Imager

    NASA Technical Reports Server (NTRS)

    Collier, Michael R.; Sibeck, David G.; Porter, F. Scott; Burch, J.; Carter, J. A.; Cravens, Thomas; Kuntz, Kip; Omidi, N.; Read, A.; Robertson, Ina; Sembay, S.; Snowden, Steven L.

    2010-01-01

    All of the solar wind energy that powers magnetospheric processes passes through the magnetosheath and magnetopause. Global images of the magnetosheath and magnetopause boundary layers will resolve longstanding controversies surrounding fundamental phenomena that occur at the magnetopause and provide information needed to improve operational space weather models. Recent developments showing that soft X-rays (0.15-1 keV) result from high charge state solar wind ions undergoing charge exchange recombination through collisions with exospheric neutral atoms has led to the realization that soft X-ray imaging can provide global maps of the high-density shocked solar wind within the magnetosheath and cusps, regions lying between the lower density solar wind and magnetosphere. We discuss an instrument concept called the Sheath Transport Observer for the Redistribution of Mass (STORM), an X-ray imager suitable for simultaneously imaging the dayside magnetosheath, the magnetopause boundary layers, and the cusps.

  8. Solvent-driven electron trapping and mass transport in reduced graphites to access perfect graphene.

    PubMed

    Vecera, Philipp; Holzwarth, Johannes; Edelthalhammer, Konstantin F; Mundloch, Udo; Peterlik, Herwig; Hauke, Frank; Hirsch, Andreas

    2016-01-01

    Herein, we report on a significant discovery, namely, the quantitative discharging of reduced graphite forms, such as graphite intercalation compounds, graphenide dispersions and graphenides deposited on surfaces with the simple solvent benzonitrile. Because of its comparatively low reduction potential, benzonitrile is reduced during this process to the radical anion, which exhibits a red colour and serves as a reporter molecule for the quantitative determination of negative charges on the carbon sheets. Moreover, this discovery reveals a very fundamental physical-chemical phenomenon, namely a quantitative solvent reduction induced and electrostatically driven mass transport of K(+) ions from the graphite intercalation compounds into the liquid. The simple treatment of dispersed graphenides suspended on silica substrates with benzonitrile leads to the clean conversion to graphene. This unprecedented procedure represents a rather mild, scalable a