Transperitoneal transport of creatinine. A comparison of kinetic models

DEFF Research Database (Denmark)

Fugleberg, S; Graff, J; Joffe, P

1994-01-01

Six kinetic models of transperitoneal creatinine transport were formulated and validated on the basis of experimental results obtained from 23 non-diabetic patients undergoing peritoneal dialysis. The models were designed to elucidate the presence or absence of diffusive, non-lymphatic convective...... including all three forms of transport is superior to other models. We conclude that the best model of transperitoneal creatinine transport includes diffusion, non-lymphatic convective transport and lymphatic convective transport....

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

Energy Technology Data Exchange (ETDEWEB)

Lin, Tsair-Fuh [Univ. of California, Berkeley, CA (United States)

1995-07-01

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

Multi-scale modelling and numerical simulation of electronic kinetic transport

International Nuclear Information System (INIS)

Duclous, R.

2009-11-01

This research thesis which is at the interface between numerical analysis, plasma physics and applied mathematics, deals with the kinetic modelling and numerical simulations of the electron energy transport and deposition in laser-produced plasmas, having in view the processes of fuel assembly to temperature and density conditions necessary to ignite fusion reactions. After a brief review of the processes at play in the collisional kinetic theory of plasmas, with a focus on basic models and methods to implement, couple and validate them, the author focuses on the collective aspect related to the free-streaming electron transport equation in the non-relativistic limit as well as in the relativistic regime. He discusses the numerical development and analysis of the scheme for the Vlasov-Maxwell system, and the selection of a validation procedure and numerical tests. Then, he investigates more specific aspects of the collective transport: the multi-specie transport, submitted to phase-space discontinuities. Dealing with the multi-scale physics of electron transport with collision source terms, he validates the accuracy of a fast Monte Carlo multi-grid solver for the Fokker-Planck-Landau electron-electron collision operator. He reports realistic simulations for the kinetic electron transport in the frame of the shock ignition scheme, the development and validation of a reduced electron transport angular model. He finally explores the relative importance of the processes involving electron-electron collisions at high energy by means a multi-scale reduced model with relativistic Boltzmann terms

Kinetic neoclassical transport in the H-mode pedestal

Energy Technology Data Exchange (ETDEWEB)

Battaglia, D. J.; Chang, C. S.; Ku, S.; Grierson, B. A. [Princeton Plasma Physics Laboratory, P.O. Box 451, Princeton, New Jersey 08540 (United States); Burrell, K. H.; Grassie, J. S. de [General Atomics, P.O. Box 85608, San Diego, California 92186-5608 (United States)

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.

Kinetic and transport theory near the tokamak edge

International Nuclear Information System (INIS)

Hazeltine, R.D.; Catto, P.J.

1995-12-01

Conventional transport orderings employed in the core of a tokamak plasma allow large divergence-free flows in flux surfaces, but only weak radial flows. However, alternate orderings are required in the edge region where radial diffusion must balance the rapid loss due to free-streaming to divertor plates or limiters. Kinetic equations commonly used to study the plasma core do not allow such a balance and are, therefore, inapplicable in the plasma edge. Similarly, core transport formulae cannot be extended to the edge region without major, qualitative alteration. Here the authors address the necessary changes. By deriving and solving a novel kinetic equation, they construct distinctive collisional transport laws for the plasma edge. They find that their edge ordering naturally retains the radial diffusion and parallel flow of particles, momentum and heat to lowest order in the conservation equations. To higher order they find a surprising form for parallel transport in the scrape-off layer, in which the parallel flow of particles and heat are driven by a combination of the conventional gradients, viscosity, and new terms involving radial derivatives. The new terms are not relatively small, and could affect understanding of limiter and divertor operation

Resonance transport and kinetic entropy

International Nuclear Information System (INIS)

Ivanov, Yu.B.; Knoll, J.; Voskresensky, D.N.

2000-01-01

We continue the description of the dynamics of unstable particles within the real-time formulation of nonequilibrium field theory initiated in a previous paper . There we suggest to use Baym's PHI-functional method in order to achieve approximation schemes with 'built in' consistency with respect to conservation laws and thermodynamics even in the case of particles with finite damping width. Starting from Kadanoff-Baym equations we discuss a consistent first order gradient approach to transport which preserves the PHI-derivable properties. The validity conditions for the resulting quantum four-phase-space kinetic theory are discussed under the perspective to treat particles with broad damping widths. This non-equilibrium dynamics naturally includes all those quantum features already inherent in the corresponding equilibrium limit (e.g. Matsubara formalism) at the same level of PHI-derivable approximation. Various collision-term diagrams are discussed including those of higher order which lead to memory effects. As an important novel part we derive a generalized nonequilibrium expression for the kinetic entropy flow, which includes contributions from fluctuations and mass-width effects. In special cases an H-theorem is derived implying that the entropy can only increase with time. Memory effects in the kinetic terms provide contributions to the kinetic entropy flow that in the equilibrium limit recover the famous bosonic type T 3 lnT correction to the specific heat in the case of Fermi liquids like Helium-3

Kinetic transport in a magnetically confined and flux-constrained fusion plasma

International Nuclear Information System (INIS)

Darmet, G.

2007-11-01

This work deals with the kinetic transport in a fusion plasma magnetically confined and flux-constrained. The author proposes a new interpretation of the dynamics of zonal flows. The model that has been studied is a gyrokinetic model reduced to the transport of trapped ions. The inter-change stability that is generated allows the study of the kinetic transport of trapped ions. This model has a threshold instability and can be simulated over a few tens confining time for either thermal bath constraint or flux constraint. For thermal baths constraint, the simulation shows a metastable state where zonal flows are prevailing while turbulence is non-existent. In the case of a flux-constraint, zonal flows appear and relax by exchanging energy with system's kinetic energy and turbulence energy. The competition between zonal flows and turbulence can be then simulated by a predator-prey model. 2 regimes can be featured out: an improved confining regime where zonal flows dominate transport and a turbulent regime where zonal flows and turbulent transport are of the same magnitude order. We show that flux as well as the Reynolds tensor play an important role in the dynamics of the zonal flows and that the gyrokinetic description is relevant for all plasma regions. (A.C.)

Evidence for strange kinetics in Hasegawa-Mima turbulent transport

International Nuclear Information System (INIS)

Annibaldi, S.V.; Drury, L.O'C.; Manfredi, G.; Dendy, R.O.

2000-01-01

We have studied the transport of test particle ensembles moving in turbulent electrostatic fields governed by the Hasegawa-Mima (HM) equation. As a result of the interplay of the linear dispersive term and the nonlinear term in the HM equation, 'strange kinetics' emerge: the poloidal particle transport undergoes a qualitative transition from diffusive, through supradiffusive, to ballistic. (author). Letter-to-the-editor

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

Science.gov (United States)

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

Kinetics of glucose transport in rat muscle

DEFF Research Database (Denmark)

Ploug, Thorkil; Galbo, Henrik; Vinten, Jørgen

1987-01-01

The effects of insulin and prior muscle contractions, respectively, on 3-O-methylglucose (3-O-MG) transport in skeletal muscle were studied in the perfused rat hindquarter. Initial rates of entry of 3-O-MG in red gastrocnemius, soleus, and white gastrocnemius muscles as a function of perfusate 3-O-MG...... concentration exhibited Michaelis-Menten kinetics. Uptake by simple diffusion could not be detected. The maximum 3-O-MG transport velocity (Vmax) was increased more by maximum isometric contractions (10- to 40-fold, depending on fiber type) than by insulin (20,000 microU/ml; 3- to 20-fold) in both red and white...

Chemical and kinetic equilibrations via radiative parton transport

International Nuclear Information System (INIS)

Zhang Bin; Wortman, Warner A

2011-01-01

A hot and dense partonic system can be produced in the early stage of a relativistic heavy ion collision. How it equilibrates is important for the extraction of Quark-Gluon Plasma properties. We study the chemical and kinetic equilibrations of the Quark-Gluon Plasma using a radiative transport model. Thermal and Color-Glass-Condensate motivated initial conditions are used. We observe that screened parton interactions always lead to partial pressure isotropization. Different initial pressure anisotropies result in the same asymptotic evolution. Comparison of evolutions with and without radiative processes shows that chemical equilibration interacts with kinetic equilibration and radiative processes can contribute significantly to pressure isotropization.

Simulation with Phast of the pore water chemistry experiment results (Mont Terri Url, Switzerland), including transport, thermodynamics, kinetics, and biological activity

International Nuclear Information System (INIS)

Tournassat, C.; Gaucher, E.; Pearson, F.J.; Mettler, S.; Wersin, P.

2005-01-01

Full text of publication follows: The Pore water Chemistry (PC-)experiment was initially designed to determine the processes that control the redox properties of pore water in the Opalinus Clay at the Mont Terri URL. However, changes in isotopic data and chemical parameters such as pH, alkalinity, dissolved methane, acetate and sulphate concentrations indicated unexpected microbial activity. The origin of the bacteria is not clear. In the light of published data, an indigenous origin cannot be ruled out. A combined biological and reactive transport model has been developed with the parallel PHAST software to simulate the processes that determine pore water chemistry. The influence of bacterial activity on the system is successfully modelled by considering different reaction pathways scenarios including aceto-genesis, methano-genesis, and methane/acetate oxidation coupled to sulphate reduction. Several conclusions can be clearly stated in the light of the simulation results: - The measured redox potentials (redox electrode) are in line with the S(-II)/S(+VI) redox system. - In the undisturbed pore water, S(-II) and S(+VI) activities are controlled by a mineral assemblage containing pyrite and a Fe carbonate (siderite or ankerite). pH is buffered by mineral phases and SO 4 2- concentration is inherited from the marine sedimentary rock. - Some local redox potentials in the sedimentary rock do not correspond to the measured redox potential; for instance, organic matter/HCO 3 - and CH 4 /HCO 3 - systems are not at equilibrium with the measured redox potential. - Redox disequilibrium can be exploited by micro-organisms as a source of energy for their metabolism. In this experiment CH 4 , acetate and other organic acids were produced and SO 4 2- was reduced to HS - . The redox properties of the system are then governed by kinetics rather than by thermodynamic equilibrium. The unexpected persistence of acetate in the borehole water is one of the consequences of these

Linear kinetic theory and particle transport in stochastic mixtures

Energy Technology Data Exchange (ETDEWEB)

Pomraning, G.C. [Univ. of California, Los Angeles, CA (United States)

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.

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

International Nuclear Information System (INIS)

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

Benchmark test of drift-kinetic and gyrokinetic codes through neoclassical transport simulations

International Nuclear Information System (INIS)

Satake, S.; Sugama, H.; Watanabe, T.-H.; Idomura, Yasuhiro

2009-09-01

Two simulation codes that solve the drift-kinetic or gyrokinetic equation in toroidal plasmas are benchmarked by comparing the simulation results of neoclassical transport. The two codes are the drift-kinetic δf Monte Carlo code (FORTEC-3D) and the gyrokinetic full- f Vlasov code (GT5D), both of which solve radially-global, five-dimensional kinetic equation with including the linear Fokker-Planck collision operator. In a tokamak configuration, neoclassical radial heat flux and the force balance relation, which relates the parallel mean flow with radial electric field and temperature gradient, are compared between these two codes, and their results are also compared with the local neoclassical transport theory. It is found that the simulation results of the two codes coincide very well in a wide rage of plasma collisionality parameter ν * = 0.01 - 10 and also agree with the theoretical estimations. The time evolution of radial electric field and particle flux, and the radial profile of the geodesic acoustic mode frequency also coincide very well. These facts guarantee the capability of GT5D to simulate plasma turbulence transport with including proper neoclassical effects of collisional diffusion and equilibrium radial electric field. (author)

Water in the physiology of plant: thermodynamics and kinetic

Directory of Open Access Journals (Sweden)

Maurizio Cocucci

2011-02-01

Full Text Available Molecular properties of water molecule determine its role in plant physiology. At molecular level the properties of water molecules determine the behaviour of other plant molecules; in particular its physic characteristics are important in the operativeness of macromolecules and in plant thermoregulation. Plant water supply primarily dependent on thermodynamics properties in particular water chemical potential and its components, more recently there are evidences that suggest an important role in the water kinetic characteristics, depending, at cell membrane level, in particular plasmalemma, on the presence of specific water channel, the aquaporines controlled in its activity by a number of physiological and biochemical factors. Thermodynamics and kinetic factors controlled by physiological, biochemical properties and molecular effectors, control water supply and level in plants to realize their survival, growth and differentiation and the consequent plant production.

Fluid transport with time on peritoneal dialysis: the contribution of free water transport and solute coupled water transport

NARCIS (Netherlands)

Coester, Annemieke M.; Smit, Watske; Struijk, Dirk G.; Krediet, Raymond T.

2009-01-01

Ultrafiltration in peritoneal dialysis occurs through endothelial water channels (free water transport) and together with solutes across small pores: solute coupled water transport. A review is given of cross-sectional studies and on the results of longitudinal follow-up

Accounting for chemical kinetics in field scale transport calculations

International Nuclear Information System (INIS)

Bryan, N.D.

2005-01-01

The modelling of column experiments has shown that the humic acid mediated transport of metal ions is dominated by the non-exchangeable fraction. Metal ions enter this fraction via the exchangeable fraction, and may transfer back again. However, in both directions these chemical reactions are slow. Whether or not a kinetic description of these processes is required during transport calculations, or an assumption of local equilibrium will suffice, will depend upon the ratio of the reaction half-time to the residence time of species within the groundwater column. If the flow rate is sufficiently slow or the reaction sufficiently fast then the assumption of local equilibrium is acceptable. Alternatively, if the reaction is sufficiently slow (or the flow rate fast), then the reaction may be 'decoupled', i.e. removed from the calculation. These distinctions are important, because calculations involving chemical kinetics are computationally very expensive, and should be avoided wherever possible. In addition, column experiments have shown that the sorption of humic substances and metal-humate complexes may be significant, and that these reactions may also be slow. In this work, a set of rules is presented that dictate when the local equilibrium and decoupled assumptions may be used. In addition, it is shown that in all cases to a first approximation, the behaviour of a kinetically controlled species, and in particular its final distribution against distance at the end of a calculation, depends only upon the ratio of the reaction first order rate to the residence time, and hence, even in the region where the simplifications may not be used, the behaviour is predictable. In this way, it is possible to obtain an estimate of the migration of these species, without the need for a complex transport calculation. (orig.)

Corrections to classical kinetic and transport theory for a two-temparature, fully ionized plasma in electromagnetic fields

International Nuclear Information System (INIS)

Oeien, A.H.

1977-06-01

Sets of lower order and higher order kinetic and macroscopic equations are developed for a plasma where collisions are important but electrons and ions are allowed to have different temperatures when transports, due to gradients and fields, set in. Solving the lower order kinetic equations and taking appropriate velocity moments we show that usual classical transports emerge. From the higher order kinetic equations special notice is taken of some new correction terms to the classical transports. These corrections are linear in gradients and fields, some of which are found in a two-temperature state only. (Auth.)

Model for radionuclide transport in running waters

International Nuclear Information System (INIS)

Jonsson, Karin; Elert, Mark

2005-11-01

Two sites in Sweden are currently under investigation by SKB for their suitability as places for deep repository of radioactive waste, the Forsmark and Simpevarp/Laxemar area. As a part of the safety assessment, SKB has formulated a biosphere model with different sub-models for different parts of the ecosystem in order to be able to predict the dose to humans following a possible radionuclide discharge from a future deep repository. In this report, a new model concept describing radionuclide transport in streams is presented. The main difference from the previous model for running water used by SKB, where only dilution of the inflow of radionuclides was considered, is that the new model includes parameterizations also of the exchange processes present along the stream. This is done in order to be able to investigate the effect of the retention on the transport and to be able to estimate the resulting concentrations in the different parts of the system. The concentrations determined with this new model could later be used for order of magnitude predictions of the dose to humans. The presented model concept is divided in two parts, one hydraulic and one radionuclide transport model. The hydraulic model is used to determine the flow conditions in the stream channel and is based on the assumption of uniform flow and quasi-stationary conditions. The results from the hydraulic model are used in the radionuclide transport model where the concentration is determined in the different parts of the stream ecosystem. The exchange processes considered are exchange with the sediments due to diffusion, advective transport and sedimentation/resuspension and uptake of radionuclides in biota. Transport of both dissolved radionuclides and sorbed onto particulates is considered. Sorption kinetics in the stream water phase is implemented as the time scale of the residence time in the stream water probably is short in comparison to the time scale of the kinetic sorption. In the sediment

Model for radionuclide transport in running waters

Energy Technology Data Exchange (ETDEWEB)

Jonsson, Karin; Elert, Mark [Kemakta Konsult AB, Stockholm (Sweden)

2005-11-15

Two sites in Sweden are currently under investigation by SKB for their suitability as places for deep repository of radioactive waste, the Forsmark and Simpevarp/Laxemar area. As a part of the safety assessment, SKB has formulated a biosphere model with different sub-models for different parts of the ecosystem in order to be able to predict the dose to humans following a possible radionuclide discharge from a future deep repository. In this report, a new model concept describing radionuclide transport in streams is presented. The main difference from the previous model for running water used by SKB, where only dilution of the inflow of radionuclides was considered, is that the new model includes parameterizations also of the exchange processes present along the stream. This is done in order to be able to investigate the effect of the retention on the transport and to be able to estimate the resulting concentrations in the different parts of the system. The concentrations determined with this new model could later be used for order of magnitude predictions of the dose to humans. The presented model concept is divided in two parts, one hydraulic and one radionuclide transport model. The hydraulic model is used to determine the flow conditions in the stream channel and is based on the assumption of uniform flow and quasi-stationary conditions. The results from the hydraulic model are used in the radionuclide transport model where the concentration is determined in the different parts of the stream ecosystem. The exchange processes considered are exchange with the sediments due to diffusion, advective transport and sedimentation/resuspension and uptake of radionuclides in biota. Transport of both dissolved radionuclides and sorbed onto particulates is considered. Sorption kinetics in the stream water phase is implemented as the time scale of the residence time in the stream water probably is short in comparison to the time scale of the kinetic sorption. In the sediment

Water transport and energy.

Science.gov (United States)

Fricke, Wieland

2017-06-01

Water transport in plants occurs along various paths and is driven by gradients in its free energy. It is generally considered that the mode of transport, being either diffusion or bulk flow, is a passive process, although energy may be required to sustain the forces driving water flow. This review aims at putting water flow at the various organisational levels (cell, organ, plant) in the context of the energy that is required to maintain these flows. In addition, the question is addressed (1) whether water can be transported against a difference in its chemical free energy, 'water potential' (Ψ), through, directly or indirectly, active processes; and (2) whether the energy released when water is flowing down a gradient in its energy, for example during day-time transpiration and cell expansive growth, is significant compared to the energy budget of plant and cell. The overall aim of review is not so much to provide a definite 'Yes' and 'No' to these questions, but rather to stimulate discussion and raise awareness that water transport in plants has its real, associated, energy costs and potential energy gains. © 2016 John Wiley & Sons Ltd.

Osmotic water transport in aquaporins

DEFF Research Database (Denmark)

Zeuthen, Thomas; Alsterfjord, Magnus; Beitz, Eric

2013-01-01

Abstract  We test a novel, stochastic model of osmotic water transport in aquaporins. A solute molecule present at the pore mouth can either be reflected or permeate the pore. We assume that only reflected solute molecules induce osmotic transport of water through the pore, while permeating solute...... molecules give rise to no water transport. Accordingly, the rate of water transport is proportional to the reflection coefficient σ, while the solute permeability, P(S), is proportional to 1 - σ. The model was tested in aquaporins heterologously expressed in Xenopus oocytes. A variety of aquaporin channel...... sizes and geometries were obtained with the two aquaporins AQP1 and AQP9 and mutant versions of these. Osmotic water transport was generated by adding 20 mM of a range of different-sized osmolytes to the outer solution. The osmotic water permeability and the reflection coefficient were measured...

Hydrology in Lichens: How Biological Architecture is Used to Regulate Water Access to Support Drought Resilience and Nutrient Transport

Science.gov (United States)

Ten Veldhuis, M. C.; Dismukes, G. C.; Ananyev, G.

2017-12-01

Lichens are Nature's masters at controlling water and air flux within a symbiotic organism comprised of an algal photobiont and its fungal host. Here we investigated the equilibrium partitioning and kinetic transport of water between the symbionts in the lichen flavoparmelia species. Lichens have developed a unique strategy to recover after deep dehydration, that otherwise would kill the majority of free living phototrophs. By measuring both kinetics of water content and chlorophyll fluorescence emission (indicative of algal charge separation and water oxidation) during dehydration, we identified 3 distinct temporal stages and mapped these to physical zones by confocal microscopy using a combination of hydro-philic/-phobic dyes. Below a critical level of water content, controlled by the greater hydrophilicity of fungal tissues, algal photosynthesis rapidly turns off. We show that the distinct stages in dehydration mirror the 3D architecture of lichen tissue (the thallus). We provide evidence that control of water distribution is achieved by capillary forces within ordered zones of physical space possessing different hydro-phobic/-philic characteristics. This strategy ensures that photosynthetic capacity is protected from and can quickly recover after desiccation. The fungal host controls the onset and extent of photosynthesis in the enslaved alga, presumably to ensure transport of algal derived sugars and oxygen (O2) to the fungal host only when sufficient water exists for transport. Lichen architecture provides Nature's solution to gas-water transport that is self-regulated by humidity. It offers novel lessons for designing practical devices such as fuel cell membranes and dialysis membranes. Supported by the US Dept of Energy, Basic Energy Sciences, Physical Biosciences Division.

Water Transport Mediated by Other Membrane Proteins.

Science.gov (United States)

Huang, Boyue; Wang, Hongkai; Yang, Baoxue

2017-01-01

Water transport through membrane is so intricate that there are still some debates. (Aquaporins) AQPs are entirely accepted to allow water transmembrane movement depending on osmotic gradient. Cotransporters and uniporters , however, are also concerned in water homeotatsis. Urea transporter B (UT-B) has a single-channel water permeability that is similar to AQP1. Cystic fibrosis transmembrane conductance regulator (CFTR ) was initially thought as a water channel but now not believed to transport water directly. By cotranporters, water is transported by water osmosis coupling with substrates, which explains how water is transported across the isolated small intestine. This chapter provides information about water transport mediated by other membrane proteins except AQPs .

High-Fidelity Kinetics and Radiation Transport for NLTE Hypersonic Flows, Phase I

Data.gov (United States)

National Aeronautics and Space Administration — The modeling of NLTE hypersonic flows combines several disciplines: chemistry, kinetics, radiation transport, fluid mechanics, and surface science. No single code or...

The Role of Subsurface Properties on Transport of Water and Trace Gases: 1D Simulations at Selected Mars Landing Sites.

Science.gov (United States)

Karatekin, O.; Gloesener, E.; Dehant, V. M. A.

2017-12-01

In this work, water ice stability and water vapour transport through porous martian subsurface are studied using a 1D diffusive model. The role of adsorption on water transfer in martian conditions is investigated as well as the range of parameters that have the largest effect on gas transport. In addition, adsorption kinetics is considered to examine its influence on the water vapor exchange between the subsurface and the atmosphere. As methane has been detected in the martian atmosphere, the subsurface model is then used to study methane diffusion in the CH4/CO2/H2O system from variable depths under the surface. The results of subsurface gas transport at selected locations/landing sites are shown and implications for present/future observations are discussed.

Kinetic transport properties of a bumpy torus with finite radial ambipolar field

International Nuclear Information System (INIS)

Spong, D.A.; Harris, E.G.; Hedrick, C.L.

1978-04-01

Bumpy torus neoclassical transport coefficients have been calculted including finite values of the radial ambipolar field. These are obtained by solving a bounce-averaged drift kinetic equation in a local approximation for perturbations in the distribution function (away from a stationary Maxwellian) caused by toroidicity and radial gradients in plasma density, temperature, and potential. Particle and energy fluxes along with the associated transport coefficients are then calculated by taking appropriate moments of the distribution function. Particle orbits are treated by breaking them up into a vertical drift component (due to toroidicity) and a theta precessional drift (as a result of Vector E x Vector B and drifts due to the bumpy toroidal field). The kinetic equation has been solved using both a functional expansion method and finite difference techniques [Alternating-Direction-Implicit (ADI)]. The resulting transport coefficients exhibit a strong dependence on the ambipolar electric field and plasma collisionality. In the large electric field limit, our results are in close agreement with the earlier work of Kovrizhnykh

Free water transport, small pore transport and the osmotic pressure gradient

NARCIS (Netherlands)

Parikova, Alena; Smit, Watske; Zweers, Machteld M.; Struijk, Dirk G.; Krediet, Raymond T.

2008-01-01

BACKGROUND: Water transport in peritoneal dialysis (PD) patients occurs through the small pores and water channels, the latter allowing free water transport (FWT). The osmotic gradient is known to be one of the major determinants of water transport. The objective of the study was to analyse the

Kinetic transport in a magnetically confined and flux-constrained fusion plasma; Transport cinetique dans un plasma de fusion magnetique a flux force

Energy Technology Data Exchange (ETDEWEB)

Darmet, G

2007-11-15

This work deals with the kinetic transport in a fusion plasma magnetically confined and flux-constrained. The author proposes a new interpretation of the dynamics of zonal flows. The model that has been studied is a gyrokinetic model reduced to the transport of trapped ions. The inter-change stability that is generated allows the study of the kinetic transport of trapped ions. This model has a threshold instability and can be simulated over a few tens confining time for either thermal bath constraint or flux constraint. For thermal baths constraint, the simulation shows a metastable state where zonal flows are prevailing while turbulence is non-existent. In the case of a flux-constraint, zonal flows appear and relax by exchanging energy with system's kinetic energy and turbulence energy. The competition between zonal flows and turbulence can be then simulated by a predator-prey model. 2 regimes can be featured out: an improved confining regime where zonal flows dominate transport and a turbulent regime where zonal flows and turbulent transport are of the same magnitude order. We show that flux as well as the Reynolds tensor play an important role in the dynamics of the zonal flows and that the gyrokinetic description is relevant for all plasma regions. (A.C.)

Improving activity transport models for water-cooled nuclear power reactors

Energy Technology Data Exchange (ETDEWEB)

Burrill, K.A

2001-08-01

Eight current models for describing radioactivity transport and radiation field growth around water-cooled nuclear power reactors have been reviewed and assessed. A frequent failing of the models is the arbitrary nature of the determination of the important processes. Nearly all modelers agree that the kinetics of deposition and release of both dissolved and particulate material must be described. Plant data must be used to guide the selection and development of suitable improved models, with a minimum of empirically-based rate constraints being used. Limiting case modelling based on experimental data is suggested as a way to simplify current models and remove their subjectivity. Improved models must consider the recent change to 'coordinated water chemistry' that appears to produce normal solubility behaviour for dissolved iron throughout the fuel cycle in PWRs, but retrograde solubility remains for dissolved nickel. Profiles are suggested for dissolved iron and nickel concentrations around the heat transport system in CANDU reactors, which operate nominally at constant chemistry, i.e., pH{sub T} constant with time, and which use carbon steel isothermal piping. These diagrams are modified for a CANDU reactor with stainless steel piping, in order to show the changes expected. The significance of these profiles for transport in PWRs is discussed for further model improvement. (author)

Kinetics and Mechanisms of Calcite Reactions with Saline Waters

Energy Technology Data Exchange (ETDEWEB)

Gorman, Brian P [Colorado School of Mines, Golden, CO (United States)

2015-09-02

Project Description: The general objective of the proposed research is to determine the kinetics and mechanisms of calcite reactions with saline waters over a wide range of saline water composition, pCO₂, and modest ranges in T and P. This will be accomplished by studying both reaction rates and solubility from changes in solution chemistry, and making nanoscale observations of calcite precipitate surface morphology and composition at the micro-to-nano-scale to provide an understanding of controlling reaction mechanisms and pathways. The specific objectives necessary to reach the general objective are: a) determination of how pCO₂, Ca²⁺, ionic strength and “foreign” ions influence reaction rates; and b) investigate the influence of these parameters on apparent kinetic solubility from dissolution and precipitation reactions. This information will clearly be central to the construction of reliable reaction-transport models to predict reservoir and formation response to increased CO₂ in saline waters. This program was initially collaborative with John Morse at Texas A&M, however his passing shortly after the beginning of this program resulted in abbreviated research time and effort. Summary of Results: Early studies using electron microscopy and spectroscopy indicated that carbonate precipitation from natural seawater (NSW) conditions onto aragonite substrates was mediated by a surface amorphous calcium carbonate layer. It was hypothesized that this ACC layer (observed after < 5days reaction time) was responsible for the abnormal reaction kinetics and also served as a metastable seed layer for growth of epitaxial aragonite. Further studies of the ACC formation mechanism indicated a strong dependence on the Mg concentration in solution. Subsequent studies at shorter times (10 hrs) on calcite substrates and in a wide range of supersaturation conditions did not indicate any ACC layer. Instead, an epitaxial layer by layer

Core 2D. A code for non-isothermal water flow and reactive solute transport. Users manual version 2

Energy Technology Data Exchange (ETDEWEB)

Samper, J.; Juncosa, R.; Delgado, J.; Montenegro, L. [Universidad de A Coruna (Spain)

2000-07-01

Understanding natural groundwater quality patterns, quantifying groundwater pollution and assessing the effects of waste disposal, require modeling tools accounting for water flow, and transport of heat and dissolved species as well as their complex interactions with solid and gases phases. This report contains the users manual of CORE ''2D Version V.2.0, a COde for modeling water flow (saturated and unsaturated), heat transport and multicomponent Reactive solute transport under both local chemical equilibrium and kinetic conditions. it is an updated and improved version of CORE-LE-2D V0 (Samper et al., 1988) which in turns is an extended version of TRANQUI, a previous reactive transport code (ENRESA, 1995). All these codes were developed within the context of Research Projects funded by ENRESA and the European Commission. (Author)

Core2D. A code for non-isothermal water flow and reactive solute transport. Users manual version 2

International Nuclear Information System (INIS)

Samper, J.; Juncosa, R.; Delgado, J.; Montenegro, L.

2000-01-01

Understanding natural groundwater quality patterns, quantifying groundwater pollution and assessing the effects of waste disposal, require modeling tools accounting for water flow, and transport of heat and dissolved species as well as their complex interactions with solid and gases phases. This report contains the users manual of CORE ''2D Version V.2.0, a COde for modeling water flow (saturated and unsaturated), heat transport and multicomponent Reactive solute transport under both local chemical equilibrium and kinetic conditions. it is an updated and improved version of CORE-LE-2D V0 (Samper et al., 1988) which in turns is an extended version of TRANQUI, a previous reactive transport code (ENRESA, 1995). All these codes were developed within the context of Research Projects funded by ENRESA and the European Commission. (Author)

Core 2D. A code for non-isothermal water flow and reactive solute transport. Users manual version 2

Energy Technology Data Exchange (ETDEWEB)

Samper, J; Juncosa, R; Delgado, J; Montenegro, L [Universidad de A Coruna (Spain)

2000-07-01

Understanding natural groundwater quality patterns, quantifying groundwater pollution and assessing the effects of waste disposal, require modeling tools accounting for water flow, and transport of heat and dissolved species as well as their complex interactions with solid and gases phases. This report contains the users manual of CORE ''2D Version V.2.0, a COde for modeling water flow (saturated and unsaturated), heat transport and multicomponent Reactive solute transport under both local chemical equilibrium and kinetic conditions. it is an updated and improved version of CORE-LE-2D V0 (Samper et al., 1988) which in turns is an extended version of TRANQUI, a previous reactive transport code (ENRESA, 1995). All these codes were developed within the context of Research Projects funded by ENRESA and the European Commission. (Author)

Cooling-water chlorination: the kinetics of chlorine, bromine, and ammonia in sea water

International Nuclear Information System (INIS)

Johnson, J.D.; Inman, G.W. Jr.; Trofe, T.W.

1982-11-01

The major inorganic reaction pathways for the chlorination of saline waters were measured by a variety of techniques including: (1) amperometric titration, (2) amperometric membrane covered electrode, (3) uv spectrophotometry, (4) conventional kinetics methods for slow reactions, and (5) stopped-flow kinetics measurements with a microcomputer data acquisition system. The major reactions studied were: (1) the competitive reactions of ammonia and bromide ion with hypochlorous acid, (2) bromide oxidation by hypochlorous acid, (3) monochloramine formation in sea water, (4) monobromamine formation and subsequent disproportionation to form dibromamine, and (5) monochloramine oxidation of bromide to form bromochloramine. Reaction rates were determined in sodium chloride and sea water as a function of reactant concentration, pH, salinity, and ammonia concentration. Rate constants and corresponding rate laws and mechanisms were developed for each reaction

Burning water: The water footprint of biofuel-based transport

NARCIS (Netherlands)

Gerbens-Leenes, Winnie; Hoekstra, Arjen Ysbert

2010-01-01

The trend towards substitution of conventional transport fuels by biofuels requires additional water. The EU aims to replace 10 percent of total transport fuels by biofuels by 2020. This study calculates the water footprint (WF) of different transport modes using bio-ethanol, biodiesel or

PHAST--a program for simulating ground-water flow, solute transport, and multicomponent geochemical reactions

Science.gov (United States)

Parkhurst, David L.; Kipp, Kenneth L.; Engesgaard, Peter; Charlton, Scott R.

2004-01-01

The computer program PHAST simulates multi-component, reactive solute transport in three-dimensional saturated ground-water flow systems. PHAST is a versatile ground-water flow and solute-transport simulator with capabilities to model a wide range of equilibrium and kinetic geochemical reactions. The flow and transport calculations are based on a modified version of HST3D that is restricted to constant fluid density and constant temperature. The geochemical reactions are simulated with the geochemical model PHREEQC, which is embedded in PHAST. PHAST is applicable to the study of natural and contaminated ground-water systems at a variety of scales ranging from laboratory experiments to local and regional field scales. PHAST can be used in studies of migration of nutrients, inorganic and organic contaminants, and radionuclides; in projects such as aquifer storage and recovery or engineered remediation; and in investigations of the natural rock-water interactions in aquifers. PHAST is not appropriate for unsaturated-zone flow, multiphase flow, density-dependent flow, or waters with high ionic strengths. A variety of boundary conditions are available in PHAST to simulate flow and transport, including specified-head, flux, and leaky conditions, as well as the special cases of rivers and wells. Chemical reactions in PHAST include (1) homogeneous equilibria using an ion-association thermodynamic model; (2) heterogeneous equilibria between the aqueous solution and minerals, gases, surface complexation sites, ion exchange sites, and solid solutions; and (3) kinetic reactions with rates that are a function of solution composition. The aqueous model (elements, chemical reactions, and equilibrium constants), minerals, gases, exchangers, surfaces, and rate expressions may be defined or modified by the user. A number of options are available to save results of simulations to output files. The data may be saved in three formats: a format suitable for viewing with a text editor; a

A Critical View on In Vitro Analysis of P-glycoprotein (P-gp) Transport Kinetics.

Science.gov (United States)

Saaby, Lasse; Brodin, Birger

2017-09-01

Transport proteins expressed in the different barriers of the human body can have great implications on absorption, distribution, and excretion of drug compounds. Inhibition or saturation of a transporter can potentially alter these absorbtion, distribution, metabolism and elimination properties and thereby also the pharmacokinetic profile and bioavailability of drug compounds. P-glycoprotein (P-gp, ABCB1) is an efflux transporter which is present in most of the barriers of the body, including the small intestine, the blood-brain barrier, the liver, and the kidney. In all these tissues, P-gp may mediate efflux of drug compounds and may also be a potential site for drug-drug interactions. Consequently, there is a need to be able to predict the saturation and inhibition of P-gp and other transporters in vivo. For this purpose, Michaelis-Menten steady-state analysis has been applied to estimate kinetic parameters, such as K m and V max , for carrier-mediated transport, whereas half-maximal inhibitor concentration (IC 50 ) and the disassociation constant for an inhibitor/P-gp complex (K i ) have been determined to estimate P-gp inhibition. This review addresses in vitro methods commonly used to study P-gp transport kinetics and aims at providing a critical evaluation of the application of steady-state Michaelis-Menten analysis of kinetic parameters for substrate/P-gp interactions. Copyright © 2017 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

A multi water bag model of drift kinetic electron plasma

International Nuclear Information System (INIS)

Morel, P.; Dreydemy Ghiro, F.; Berionni, V.; Gurcan, O.D.; Coulette, D.; Besse, N.

2014-01-01

A Multi Water Bag model is proposed for describing drift kinetic plasmas in a magnetized cylindrical geometry, relevant for various experimental devices, solar wind modeling... The Multi Water Bag (MWB) model is adapted to the description of a plasma with kinetic electrons as well as an arbitrary number of kinetic ions. This allows to describe the kinetic dynamics of the electrons, making possible the study of electron temperature gradient (ETG) modes, in addition to the effects of non adiabatic electrons on the ion temperature gradient (ITG) modes, that are of prime importance in the magnetized plasmas micro-turbulence [X. Garbet, Y. Idomura, L. Villard, T.H. Watanabe, Nucl. Fusion 50, 043002 (2010); J.A. Krommes, Ann. Rev. Fluid Mech. 44, 175 (2012)]. The MWB model is shown to link kinetic and fluid descriptions, depending on the number of bags considered. Linear stability of the ETG modes is presented and compared to the existing results regarding cylindrical ITG modes [P. Morel, E. Gravier, N. Besse, R. Klein, A. Ghizzo, P. Bertrand, W. Garbet, Ph. Ghendrih, V. Grandgirard, Y. Sarazin, Phys. Plasmas 14, 112109 (2007)]. (authors)

Non-equilibrium reacting gas flows kinetic theory of transport and relaxation processes

CERN Document Server

Nagnibeda, Ekaterina; Nagnibeda, Ekaterina

2009-01-01

This volume develops the kinetic theory of transport phenomena and relaxation processes in the flows of reacting gas mixtures. The theory is applied to the modeling of non-equilibrium flows behind strong shock waves, in the boundary layer, and in nozzles.

Leaf water stable isotopes and water transport outside the xylem.

Science.gov (United States)

Barbour, M M; Farquhar, G D; Buckley, T N

2017-06-01

How water moves through leaves, and where the phase change from liquid to vapour occurs within leaves, remain largely mysterious. Some time ago, we suggested that the stable isotope composition of leaf water may contain information on transport pathways beyond the xylem, through differences in the development of gradients in enrichment within the various pathways. Subsequent testing of this suggestion provided ambiguous results and even questioned the existence of gradients in enrichment within the mesophyll. In this review, we bring together recent theoretical developments in understanding leaf water transport pathways and stable isotope theory to map a path for future work into understanding pathways of water transport and leaf water stable isotope composition. We emphasize the need for a spatially, anatomically and isotopically explicit model of leaf water transport. © 2016 John Wiley & Sons Ltd.

Carbon dioxide storage in marine sediments - dissolution, transport and hydrate formation kinetics from high-pressure experiments

Science.gov (United States)

Bigalke, N. K.; Savy, J. P.; Pansegrau, M.; Aloisi, G.; Kossel, E.; Haeckel, M.

2009-12-01

By satisfying thermodynamic framework conditions for CO2 hydrate formation, pressures and temperatures of the deep marine environment are unique assets for sequestering CO2 in clathrates below the seabed. However, feasibility and safety of this storage option require an accurate knowledge of the rate constants governing the speed of physicochemical reactions following the injection of the liquefied gas into the sediments. High-pressure experiments designed to simulate the deep marine environment open the possibility to obtain the required parameters for a wide range of oceanic conditions. In an effort to constrain mass transfer coefficients and transport rates of CO2 in(to) the pore water of marine sediments first experiments were targeted at quantifying the rate of CO2 uptake by de-ionized water and seawater across a two-phase interface. The nature of the interface was controlled by selecting p and T to conditions within and outside the hydrate stability field (HSF) while considering both liquid and gaseous CO2. Concentration increase and hydrate growth were monitored by Raman spectroscopy. The experiments revealed anomalously fast transport rates of dissolved CO2 at conditions both inside and outside the HSF. While future experiments will further elucidate kinetics of CO2 transport and hydrate formation, these first results could have major significance to safety-related issues in the discussion of carbon storage in the marine environment.

Kinetics and mechanism of methane oxidation in supercritical water

International Nuclear Information System (INIS)

Rofer, C.K.; Streit, G.E.

1988-10-01

This project, is a Hazardous Waste Remedial Actions Program (HAZWRAP) Research and Development task being carried out by the Los Alamos National Laboratory. Its objective is to achieve an understanding of the technology for use in scaling up and applying oxidation in supercritical water as a viable process for treating a variety of Department of Energy Defense Programs (DOE-DP) waste streams. This report presents experimental results for the kinetics of the oxidation of methane and methanol in supercritical water and computer modeling results for the oxidation of carbonmonoxide and methane in supercritical water. The experimental and modeling results obtained to date on these one-carbon model compounds indicate that the mechanism of oxidation in supercritical water can be represented by free-radical reactions with appropriate modifications for high pressure and the high water concentration. If these current trends are sustained, a large body of existing literature data on the kinetics of elementary reactions can be utilized to predict the behavior of other compounds and their mixtures. 7 refs., 4 figs., 3 tabs

NDMA formation kinetics from three pharmaceuticals in four water matrices.

Science.gov (United States)

Shen, Ruqiao; Andrews, Susan A

2011-11-01

N, N-nitrosodimethylamine (NDMA) is an emerging disinfection by-product (DBP) that has been widely detected in many drinking water systems and commonly associated with the chloramine disinfection process. Some amine-based pharmaceuticals have been demonstrated to form NDMA during chloramination, but studies regarding the reaction kinetics are largely lacking. This study investigates the NDMA formation kinetics from ranitidine, chlorphenamine, and doxylamine under practical chloramine disinfection conditions. The formation profile was monitored in both lab-grade water and real water matrices, and a statistical model is proposed to describe and predict the NDMA formation from selected pharmaceuticals in various water matrices. The results indicate the significant impact of water matrix components and reaction time on the NDMA formation from selected pharmaceuticals, and provide fresh insights on the estimation of ultimate NDMA formation potential from pharmaceutical precursors. Copyright © 2011 Elsevier Ltd. All rights reserved.

Kinetic Alfven Waves at the Magnetopause-Mode Conversion, Transport and Formation of LLBL; TOPICAL

International Nuclear Information System (INIS)

Jay R. Johnson; C.Z. Cheng

2002-01-01

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 and gt; 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

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

Science.gov (United States)

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.

Reaction kinetics of cellulose hydrolysis in subcritical and supercritical water

Science.gov (United States)

Olanrewaju, Kazeem Bode

The uncertainties in the continuous supply of fossil fuels from the crisis-ridden oil-rich region of the world is fast shifting focus on the need to utilize cellulosic biomass and develop more efficient technologies for its conversion to fuels and chemicals. One such technology is the rapid degradation of cellulose in supercritical water without the need for an enzyme or inorganic catalyst such as acid. This project focused on the study of reaction kinetics of cellulose hydrolysis in subcritical and supercritical water. Cellulose reactions at hydrothermal conditions can proceed via the homogeneous route involving dissolution and hydrolysis or the heterogeneous path of surface hydrolysis. The work is divided into three main parts. First, the detailed kinetic analysis of cellulose reactions in micro- and tubular reactors was conducted. Reaction kinetics models were applied, and kinetics parameters at both subcritical and supercritical conditions were evaluated. The second major task was the evaluation of yields of water soluble hydrolysates obtained from the hydrolysis of cellulose and starch in hydrothermal reactors. Lastly, changes in molecular weight distribution due to hydrothermolytic degradation of cellulose were investigated. These changes were also simulated based on different modes of scission, and the pattern generated from simulation was compared with the distribution pattern from experiments. For a better understanding of the reaction kinetics of cellulose in subcritical and supercritical water, a series of reactions was conducted in the microreactor. Hydrolysis of cellulose was performed at subcritical temperatures ranging from 270 to 340 °C (tau = 0.40--0.88 s). For the dissolution of cellulose, the reaction was conducted at supercritical temperatures ranging from 375 to 395 °C (tau = 0.27--0.44 s). The operating pressure for the reactions at both subcritical and supercritical conditions was 5000 psig. The results show that the rate-limiting step in

Passive water and ion transport by cotransporters

DEFF Research Database (Denmark)

Loo, D D; Hirayama, B A; Meinild, A K

1999-01-01

the Lp of control oocytes. Passive Na+ transport (Na+ leak) was obtained from the blocker-sensitive Na+ currents in the absence of substrates (glucose and GABA). 2. Passive Na+ and water transport through SGLT1 were blocked by phlorizin with the same sensitivity (inhibitory constant (Ki), 3-5 micro......1. The rabbit Na+-glucose (SGLT1) and the human Na+-Cl--GABA (GAT1) cotransporters were expressed in Xenopus laevis oocytes, and passive Na+ and water transport were studied using electrical and optical techniques. Passive water permeabilities (Lp) of the cotransporters were determined from......M). When Na+ was replaced with Li+, phlorizin also inhibited Li+ and water transport, but with a lower affinity (Ki, 100 microM). When Na+ was replaced by choline, which is not transported, the SGLT1 Lp was indistinguishable from that in Na+ or Li+, but in this case water transport was less sensitive...

Transport Properties of a Kinetic Model for Chemical Reactions without Barriers

International Nuclear Information System (INIS)

Alves, Giselle M.; Kremer, Gilberto M.; Soares, Ana Jacinta

2011-01-01

A kinetic model of the Boltzmann equation for chemical reactions without energy barrier is considered here with the aim of evaluating the reaction rate and characterizing the transport coefficient of shear viscosity for the reactive system. The Chapman-Enskog solution of the Boltzmann equation is used to compute the chemical reaction effects, in a flow regime for which the reaction process is close to the final equilibrium state. Some numerical results are provided illustrating that the considered chemical reaction without energy barrier can induce an appreciable influence on the reaction rate and on the transport coefficient of shear viscosity.

Effects of water content on reactive transport of Sr in Chernobyl sand columns

International Nuclear Information System (INIS)

Szenknect, S.; Dewiere, L.; Ardois, C.; Gaudet, J.P.

2005-01-01

Full text of publication follows: While transport of non-reactive solutes has been studied extensively in unsaturated porous media, much less is known about the factors that control the transport of sorbing solutes in unsaturated conditions. Three laboratory techniques were used to analyze the transport of Sr in the aeolian sand from Chernobyl Pilot Site [1] in both saturated and unsaturated flow conditions. Batch experiments were performed to study the chemical equilibrium state of the soil/solution system. Stirred flow-through reactor (SFTR) experiments were performed to study the kinetics and reversibility of sorption reactions at the surface of solid particles. Column experiments were also performed in saturated and unsaturated steady flow conditions. Experimental data pointed out a non-linear, instantaneous and reversible sorption process of Sr. A suitable cation-exchange model was used to describe the solute/soil reaction. The former model was coupled with transport models to describe behavior of Sr in saturated [2] and unsaturated flow conditions. Transport properties of sand packed columns have been determined with an inert tracer (HTO). BTCs obtained under saturated conditions exhibit a small amount of dispersion compared to those obtained under unsaturated conditions. Classical advection-dispersion model described successfully saturated tritium breakthrough curves (BTCs), whereas a mobile-immobile model (MIM) was required to described asymmetrical unsaturated BTCs. The MIM assumes that the porous medium contains a mobile water phase in which convective-dispersive transport occurs, and a immobile water phase with which solutes can exchange with a first order kinetic. In our experiments, transport by advection in the mobile phase is the predominant process whatever the flow conditions and mass transfer rate between the mobile and immobile regions is the predominant process for broadening the BTCs. Since dispersion is blurred by mass transfer resistance, the

The water footprint of biofuel-based transport

NARCIS (Netherlands)

Gerbens-Leenes, Winnie; Hoekstra, Arjen Ysbert

2011-01-01

The EU target to replace 10 percent of transport fuels by renewables by 2020 requires additional water. This study calculates water footprints (WFs) of transport modes using first generation bio-ethanol, biodiesel or bio-electricity and of European transport if 10 percent of transport fuels is

Photocatalytic Water-Splitting Reaction from Catalytic and Kinetic Perspectives

KAUST Repository

Hisatomi, Takashi

2014-10-16

Abstract: Some particulate semiconductors loaded with nanoparticulate catalysts exhibit photocatalytic activity for the water-splitting reaction. The photocatalysis is distinct from the thermal catalysis because photocatalysis involves photophysical processes in particulate semiconductors. This review article presents a brief introduction to photocatalysis, followed by kinetic aspects of the photocatalytic water-splitting reaction.Graphical Abstract: [Figure not available: see fulltext.

Kinetics of the water formation in the propene epoxidation over gold-titania catalysts

NARCIS (Netherlands)

Nijhuis, T.A.; Weckhuysen, B.M.

2007-01-01

The kinetics of the hydrogen oxidation were determined for a number of different gold catalysts supported on titania, silica, and silicalite-1. A dual site Langmuir-Hinshelwood kinetic model was able to describe the reaction well. The kinetic parameters are independent of the support. Water was

Hydrogen peroxide decomposition kinetics in aquaculture water

DEFF Research Database (Denmark)

Arvin, Erik; Pedersen, Lars-Flemming

2015-01-01

during the HP decomposition. The model assumes that the enzyme decay is controlled by an inactivation stoichiometry related to the HP decomposition. In order to make the model easily applicable, it is furthermore assumed that the COD is a proxy of the active biomass concentration of the water and thereby......Hydrogen peroxide (HP) is used in aquaculture systems where preventive or curative water treatments occasionally are required. Use of chemical agents can be challenging in recirculating aquaculture systems (RAS) due to extended water retention time and because the agents must not damage the fish...... reared or the nitrifying bacteria in the biofilters at concentrations required to eliminating pathogens. This calls for quantitative insight into the fate of the disinfectant residuals during water treatment. This paper presents a kinetic model that describes the HP decomposition in aquaculture water...

Kinetics of transmembrane transport of small molecules into electropermeabilized cells.

Science.gov (United States)

Pucihar, Gorazd; Kotnik, Tadej; Miklavcic, Damijan; Teissié, Justin

2008-09-15

The transport of propidium iodide into electropermeabilized Chinese hamster ovary cells was monitored with a photomultiplier tube during and after the electric pulse. The influence of pulse amplitude and duration on the transport kinetics was investigated with time resolutions from 200 ns to 4 ms in intervals from 400 micros to 8 s. The transport became detectable as early as 60 micros after the start of the pulse, continued for tens of seconds after the pulse, and was faster and larger for higher pulse amplitudes and/or longer pulse durations. With fixed pulse parameters, transport into confluent monolayers of cells was slower than transport into suspended cells. Different time courses of fluorescence increase were observed during and at various times after the pulse, reflecting different transport mechanisms and ongoing membrane resealing. The data were compared to theoretical predictions of the Nernst-Planck equation. After a delay of 60 micros, the time course of fluorescence during the pulse was approximately linear, supporting a mainly electrophoretic solution of the Nernst-Planck equation. The time course after the pulse agreed with diffusional solution of the Nernst-Planck equation if the membrane resealing was assumed to consist of three distinct components, with time constants in the range of tens of microseconds, hundreds of microseconds, and tens of seconds, respectively.

Combined kinetic and transport modeling of radiofrequency current drive

International Nuclear Information System (INIS)

Dumont, R.; Giruzzi, G.; Barbato, E.

2000-07-01

A numerical model for predictive simulations of radiofrequency current drive in magnetically confined plasmas is developed. It includes the minimum requirements for a self consistent description of such regimes, i.e., a 3-D ,kinetic equation for the electron distribution function, 1-D heat and current transport equations, and resonant coupling between velocity space and configuration space dynamics, through suitable wave propagation equations. The model finds its full application in predictive studies of complex current profile control scenarios in tokamaks, aiming at the establishment of internal transport barriers by the simultaneous use of various radiofrequency current drive methods. The basic properties of this non-linear numerical system are investigated and illustrated by simulations applied to reversed magnetic shear regimes obtained by Lower Hybrid and Electron Cyclotron current drive for parameters typical of the Tore Supra tokamak. (authors)

Modelling Ballast Water Transport

Digital Repository Service at National Institute of Oceanography (India)

Jayakumar, S.; Babu, M.T.; Vethamony, P.

Ballast water discharges in the coastal environs have caused a great concern over the recent periods as they account for transporting marine organisms from one part of the world to the other. The movement of discharged ballast water as well...

The coordinated development of China＇ s inland water transport%The coordinated development of China' s inland water transport

Institute of Scientific and Technical Information of China (English)

Deng Aimin; Tian Feng; Haasis H.D; Mao Lang; Cai Jia

2012-01-01

The coordinated development is the core of sustainable development and the hot issue of international research. Inland water transport (IWT) is an important part of the water resources exploiting system and comprehensive transport system under socio-economic context of river basin, and also the country' s sustainable development priorities to achieve resource-conserving and environment-friendly strategy. Based on the coordinated development content, the paper combined Germany' s successful development experience, explored the elements and problem of the coordinated development of IWT system of China' s national economic strategy and basin economy, water resourse system, comprehensive transport system, and system itself, and their countermeasures and suggestions, in order to facilitate rapid and coordinated development of China' s inland water transport.

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

Energy Technology Data Exchange (ETDEWEB)

Yeh, G.T.; Salvage, K.M. [Pennsylvania State Univ., University Park, PA (United States). Dept. of Civil and Environmental Engineering; Gwo, J.P. [Oak Ridge National Lab., TN (United States); Zachara, J.M.; Szecsody, J.E. [Pacific Northwest National Lab., Richland, WA (United States)

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.

Validation of the kinetic model for predicting the composition of chlorinated water discharged from power plant cooling systems

International Nuclear Information System (INIS)

Lietzke, M.H.

1977-01-01

The purpose of this report is to present a validation of a previously described kinetic model which was developed to predict the composition of chlorinated fresh water discharged from power plant cooling systems. The model was programmed in two versions: as a stand-alone program and as a part of a unified transport model developed from consistent mathematical models to simulate the dispersion of heated water and radioisotopic and chemical effluents from power plant discharges. The results of testing the model using analytical data taken during operation of the once-through cooling system of the Quad Cities Nuclear Station are described. Calculations are also presented on the Three Mile Island Nuclear Station which uses cooling towers

Transport of Water in Semicrystalline Block Copolymer Membranes

Science.gov (United States)

Hallinan, Daniel; Oparaji, Onyekachi

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

Separation kinetics of an oil-in-water emulsion under enhanced gravity

NARCIS (Netherlands)

Krebs, T.; Schroën, C.G.P.H.; Boom, R.M.

2012-01-01

The breakup of crude oil emulsions to produce clean oil and water phases is an important task in crude oil processing. We have investigated the demulsification kinetics of a model oil-in-water emulsion in a centrifugal field to mimic the forces acting on emulsion droplets in oil/water separators

A kinetic model for the transport of electrons in a graphene layer

Energy Technology Data Exchange (ETDEWEB)

Fermanian Kammerer, Clotilde, E-mail: Clotilde.Fermanian@u-pec.fr [Laboratoire d' Analyse et de Mathématiques Appliquées, Université Paris Est and CNRS, 61, avenue du Général de Gaulle, 94010 Créteil Cedex (France); Méhats, Florian, E-mail: florian.mehats@univ-rennes1.fr [Institut de Recherche Mathématique de Rennes, IPSO Inria team, Université Rennes 1 and CNRS, Campus de Beaulieu, 35042 Rennes cedex (France)

2016-12-15

In this article, we propose a new numerical scheme for the computation of the transport of electrons in a graphene device. The underlying quantum model for graphene is a massless Dirac equation, whose eigenvalues display a conical singularity responsible for non-adiabatic transitions between the two modes. We first derive a kinetic model which takes the form of two Boltzmann equations coupled by a collision operator modeling the non-adiabatic transitions. This collision term includes a Landau–Zener transfer term and a jump operator whose presence is essential in order to ensure a good energy conservation during the transitions. We propose an algorithmic realization of the semi-group solving the kinetic model, by a particle method. We give analytic justification of the model and propose a series of numerical experiments studying the influences of the various sources of errors between the quantum and the kinetic models.

Kinetics of Transferrin and Transferrin-Receptor during Iron Transport through Blood Brain Barrier

Science.gov (United States)

Khan, Aminul; Liu, Jin; Dutta, Prashanta

2017-11-01

Transferrin and its receptors play an important role during the uptake and transcytosis of iron by blood brain barrier (BBB) endothelial cells to maintain iron homeostasis in BBB endothelium and brain. In the blood side of BBB, ferric iron binds with the apo-transferrin to form holo-transferrin which enters the endothelial cell via transferrin receptor mediated endocytosis. Depending on the initial concentration of iron inside the cell endocytosed holo-transferrin can either be acidified in the endosome or exocytosed through the basolateral membrane. Acidification of holo-transferrin in the endosome releases ferrous irons which may either be stored and used by the cell or transported into brain side. Exocytosis of the holo-transferrin through basolateral membrane leads to transport of iron bound to transferrin into brain side. In this work, kinetics of internalization, recycling and exocytosis of transferrin and its receptors are modeled by laws of mass action during iron transport in BBB endothelial cell. Kinetic parameters for the model are determined by least square analysis. Our results suggest that the cell's initial iron content determines the extent of the two possible iron transport pathways, which will be presented in this talk Research reported in this publication was supported by the National Institute of General Medical Sciences of the National Institutes of Health under Award Number R01GM122081.

Molecular mechanisms of water transport in the eye

DEFF Research Database (Denmark)

Hamann, Steffen

2002-01-01

The four major sites for ocular water transport, the corneal epithelium and endothelium, the ciliary epithelium, and the retinal pigment epithelium, are reviewed. The cornea has an inherent tendency to swell, which is counteracted by its two surface cell layers, the corneal epithelium...... and endothelium. The bilayered ciliary epithelium secretes the aqueous humor into the posterior chamber, and the retinal pigment epithelium transports water from the retinal to the choroidal site. For each epithelium, ion transport mechanisms are associated with fluid transport, but the exact molecular coupling...... sites between ion and water transport remain undefined. In the retinal pigment epithelium, a H+-lactate cotransporter transports water. This protein could be the site of coupling between salt and water in this epithelium. The distribution of aquaporins does not suggest a role for these proteins...

Water and solute transport across the peritoneal membrane.

Science.gov (United States)

Morelle, Johann; Devuyst, Olivier

2015-09-01

We review the molecular mechanisms of peritoneal transport and discuss how a better understanding of these mechanisms is relevant for dialysis therapy. Peritoneal dialysis involves diffusion and osmosis through the highly vascularized peritoneal membrane. Computer simulations, expression studies and functional analyses in Aqp1 knockout mice demonstrated the critical role of the water channel aquaporin-1 (AQP1) in water removal during peritoneal dialysis. Pharmacologic regulation of AQP1, either through increased expression or gating, is associated with increased water transport in rodent models of peritoneal dialysis. Water transport is impaired during acute peritonitis, despite unchanged expression of AQP1, resulting from the increased microvascular area that dissipates the osmotic gradient across the membrane. In long-term peritoneal dialysis patients, the fibrotic interstitium also impairs water transport, resulting in ultrafiltration failure. Recent data suggest that stroke and drug intoxications might benefit from peritoneal dialysis and could represent novel applications of peritoneal transport in the future. A better understanding of the regulation of osmotic water transport across the peritoneum offers novel insights into the role of water channels in microvascular endothelia, the functional importance of structural changes in the peritoneal interstitium and the transport of water and solutes across biological membranes in general.

Redox Kinetics and Nonstoichiometry of Ce0.5Zr0.5O2−δ for Water Splitting and Hydrogen Production

KAUST Repository

Zhao, Zhenlong

2017-04-25

Water splitting and chemical fuel production as a promising carbon-neutral energy solution relies critically on an efficient electrochemical process over catalyst surfaces. The fundamentals within the surface redox pathways, including the complex interactions of mobile ions and electrons between the bulk and the surface, along with the role of adsorbates and electrostatic fields remain yet to be understood quantitatively. This work presents a detailed kinetics study and nonstoichiometry characterization of Ce0.5Zr0.5O2−δ (CZO), one of the most recognized catalysts for water splitting. The use of CZO leads to >60% improvement in the kinetic rates as compared with undoped ceria with twice the total yield at 700 °C, resulting from the improved reducibility. The peak H2 production rate is 95 μmol g–1 s–1 at 700 °C, and the total production is 750 μmol g–1. A threshold temperature of 650 °C is required to achieve significant H2 production at fast rates. The redox kinetics is modeled using two-step surface chemistry with bulk-to-surface transport equilibrium. Kinetics and equilibrium parameters are extracted, and the model predictions show good agreement with the measurements. The enthalpy of bulk defect formation for CZO is found to be 262 kJ/mol, >40% lower than that of undoped ceria. As oxygen vacancy is gradually filled up, the surface H2O splitting chemistry undergoes a transition from exothermic to endothermic, with the crossover around δ = 0.04 to 0.05, which constrains the further ion incorporation process. Our kinetics study reveals that the H2O splitting process with CZO is kinetics limited at low temperature and transitions to partial-equilibrium with significantly enhanced backward reaction at high temperature. The charge-transfer step is found to be the rate-limiting step for H2O splitting. The detailed kinetics and nonstoichiometric equilibria should be helpful in guiding the design and optimization of CZO as a catalyst, oxygen storage

Composite Transport Model and Water and Solute Transport across Plant Roots: An Update.

Science.gov (United States)

Kim, Yangmin X; Ranathunge, Kosala; Lee, Seulbi; Lee, Yejin; Lee, Deogbae; Sung, Jwakyung

2018-01-01

The present review examines recent experimental findings in root transport phenomena in terms of the composite transport model (CTM). It has been a well-accepted conceptual model to explain the complex water and solute flows across the root that has been related to the composite anatomical structure. There are three parallel pathways involved in the transport of water and solutes in roots - apoplast, symplast, and transcellular paths. The role of aquaporins (AQPs), which facilitate water flows through the transcellular path, and root apoplast is examined in terms of the CTM. The contribution of the plasma membrane bound AQPs for the overall water transport in the whole plant level was varying depending on the plant species, age of roots with varying developmental stages of apoplastic barriers, and driving forces (hydrostatic vs. osmotic). Many studies have demonstrated that the apoplastic barriers, such as Casparian bands in the primary anticlinal walls and suberin lamellae in the secondary cell walls, in the endo- and exodermis are not perfect barriers and unable to completely block the transport of water and some solute transport into the stele. Recent research on water and solute transport of roots with and without exodermis triggered the importance of the extension of conventional CTM adding resistances that arrange in series (epidermis, exodermis, mid-cortex, endodermis, and pericycle). The extension of the model may answer current questions about the applicability of CTM for composite water and solute transport of roots that contain complex anatomical structures with heterogeneous cell layers.

Implementation of the kinetics in the transport code AZTRAN

International Nuclear Information System (INIS)

Duran G, J. A.; Del Valle G, E.; Gomez T, A. M.

2017-09-01

This paper shows the implementation of the time dependence in the three-dimensional transport code AZTRAN (AZtlan TRANsport), which belongs to the AZTLAN platform, for the analysis of nuclear reactors (currently under development). The AZTRAN code with this implementation is able to numerically solve the time-dependent transport equation in XYZ geometry, for several energy groups, using the discrete ordinate method S n for the discretization of the angular variable, the nodal method RTN-0 for spatial discretization and method 0 for discretization in time. Initially, the code only solved the neutrons transport equation in steady state, so the implementation of the temporal part was made integrating the neutrons transport equation with respect to time and balance equations corresponding to the concentrations of delayed neutron precursors, for which method 0 was applied. After having directly implemented code kinetics, the improved quasi-static method was implemented, which is a tool for reducing computation time, where the angular flow is factored by the product of two functions called shape function and amplitude function, where the first is calculated for long time steps, called macro-steps and the second is resolved for small time steps called micro-steps. In the new version of AZTRAN several Benchmark problems that were taken from the literature were simulated, the problems used are of two and three dimensions which allowed corroborating the accuracy and stability of the code, showing in general in the reference tests a good behavior. (Author)

WATER SUPPLY OF TRANSPORT OBJECTS

OpenAIRE

Badyuk, N. S.

2009-01-01

Badyuk N. S. WATER SUPPLY OF TRANSPORT OBJECTS. АКТУАЛЬНЫЕ ПРОБЛЕМЫ ТРАНСПОРТНОЙ МЕДИЦИНЫ № 3 (17), 2009 г. P. 96-104 DOI http://dx.doi.org/10.5281/zenodo.1020024 http://dspace.nbuv.gov.ua/bitstream/handle/123456789/23091/13-Badyuk.pdf?sequence=1 WATER SUPPLY OF TRANSPORT OBJECTS Badyuk N. S. Ukrainian Research Institute for Medicine of Transport, Odessa, Ukraine Summary In the work presented they discuss several peculiarities of wa...

Water transport by the renal Na(+)-dicarboxylate cotransporter

DEFF Research Database (Denmark)

Meinild, A K; Loo, D D; Pajor, A M

2000-01-01

. This solute-coupled influx of water took place in the absence of, and even against, osmotic gradients. There was a strict stoichiometric relationship between Na(+), substrate, and water transport of 3 Na(+), 1 dicarboxylate, and 176 water molecules/transport cycle. These results indicate that the renal Na......This study investigated the ability of the renal Na(+)-dicarboxylate cotransporter, NaDC-1, to transport water. Rabbit NaDC-1 was expressed in Xenopus laevis oocytes, cotransporter activity was measured as the inward current generated by substrate (citrate or succinate), and water transport...... was monitored by the changes in oocyte volume. In the absence of substrates, oocytes expressing NaDC-1 showed an increase in osmotic water permeability, which was directly correlated with the expression level of NaDC-1. When NaDC-1 was transporting substrates, there was a concomitant increase in oocyte volume...

Influence of surfactants on gas-hydrate formation' kinetics in water-oil emulsion

Science.gov (United States)

Zemenkov, Yu D.; Shirshova, A. V.; Arinstein, E. A.; Shuvaev, A. N.

2018-05-01

The kinetics of gas hydrate formation of propane in a water-oil emulsion is experimentally studied when three types of surfactants (SAA (surface acting agent)) - anionic type emulsifiers - are added to the aqueous phase. It is shown that all three types of surfactants decelerate the growth of the gas-hydrate in the emulsion and can be considered as anti-agglutinating and kinetic low-dose inhibitors. The most effective inhibitor of hydrate formation in water-oil emulsion of SV-102 surfactant was revealed. For comparison, experimental studies of gas-hydrate formation under the same conditions for bulk water have been carried out. It is shown that in bulk water, all the surfactants investigated act as promoters (accelerators) of hydrate formation. A qualitative explanation of the action mechanisms of emulsifiers in the process of gas-hydrate formation in water-oil emulsion is given.

Composite Transport Model and Water and Solute Transport across Plant Roots: An Update

Directory of Open Access Journals (Sweden)

Yangmin X. Kim

2018-02-01

Full Text Available The present review examines recent experimental findings in root transport phenomena in terms of the composite transport model (CTM. It has been a well-accepted conceptual model to explain the complex water and solute flows across the root that has been related to the composite anatomical structure. There are three parallel pathways involved in the transport of water and solutes in roots – apoplast, symplast, and transcellular paths. The role of aquaporins (AQPs, which facilitate water flows through the transcellular path, and root apoplast is examined in terms of the CTM. The contribution of the plasma membrane bound AQPs for the overall water transport in the whole plant level was varying depending on the plant species, age of roots with varying developmental stages of apoplastic barriers, and driving forces (hydrostatic vs. osmotic. Many studies have demonstrated that the apoplastic barriers, such as Casparian bands in the primary anticlinal walls and suberin lamellae in the secondary cell walls, in the endo- and exodermis are not perfect barriers and unable to completely block the transport of water and some solute transport into the stele. Recent research on water and solute transport of roots with and without exodermis triggered the importance of the extension of conventional CTM adding resistances that arrange in series (epidermis, exodermis, mid-cortex, endodermis, and pericycle. The extension of the model may answer current questions about the applicability of CTM for composite water and solute transport of roots that contain complex anatomical structures with heterogeneous cell layers.

Notes on HP1 a software package for simulating variably-saturated water flow, heat transport, solute transport, and biogeochemistry in porous media. HP1 Version 2.2

Energy Technology Data Exchange (ETDEWEB)

Jacques, D.; Simunek, J.

2010-01-15

HP1 is a comprehensive modeling tool in terms of processes and reactions for simulating reactive transport and biogeochemical processes in variably-saturated porous media. HP1 results from coupling the water and solute transport model HYDRUS-1D (Simunek et al., 2009a) and PHREEQC-2 (Parkhurst and Appelo, 1999). This note provides an overview of how to set up and execute a HP1 project using version 2.2.002 of HP1 and version 4.13 of the graphical user interface (GUI) of HYDRUS-1D. A large part of this note are step-by-step instructions for selected examples involving mineral dissolution and precipitation, cation exchange, surface complexation and kinetic degradation networks. The implementation of variably-saturated flow conditions, changing boundary conditions, a layered soil profile or immobile water is also illustrated.

Notes on HP1 a software package for simulating variably-saturated water flow, heat transport, solute transport, and biogeochemistry in porous media. HP1 Version 2.2

International Nuclear Information System (INIS)

Jacques, D.; Simunek, J.

2010-01-01

HP1 is a comprehensive modeling tool in terms of processes and reactions for simulating reactive transport and biogeochemical processes in variably-saturated porous media. HP1 results from coupling the water and solute transport model HYDRUS-1D (Simunek et al., 2009a) and PHREEQC-2 (Parkhurst and Appelo, 1999). This note provides an overview of how to set up and execute a HP1 project using version 2.2.002 of HP1 and version 4.13 of the graphical user interface (GUI) of HYDRUS-1D. A large part of this note are step-by-step instructions for selected examples involving mineral dissolution and precipitation, cation exchange, surface complexation and kinetic degradation networks. The implementation of variably-saturated flow conditions, changing boundary conditions, a layered soil profile or immobile water is also illustrated.

Kinetics of steel corrosion in water

International Nuclear Information System (INIS)

Vettegren', V.I.; Bashkarev, A.Ya.; Danchukov, K.G.; Morozov, G.I.

2003-01-01

Kinetics of corrosion damage accumulation in steels of different composition (Cr-Ni-Mo-Ti, Cr-Ni-Mn-N-V, Cr-Ni-N-Mn-Mo, Cr-Ni-Nb, Cr-Ni-Ti, Cr-Mn-Ni, Mn-Al-Nb-Si, Mn-Cr-Al-Si and Mn-Al-Si) in NaCl solution and in sea water was studied. It is shown that degree of corrosion damage relates to time according to the first order reaction expression. The values of corrosion activation energy and of parameter characterizing protection properties of corrosion film are determined [ru

Water transport in desert alluvial soil

International Nuclear Information System (INIS)

Kearl, P.M.

1982-04-01

Safe storage of radioactive waste buried in an arid alluvial soil requires extensive site characterization of the physical process influencing moisture movement which could act as a transport medium for the migration of radionuclides. The field portion of this study included an infiltration plot instrumented with thermocouple psychrometers and neturon moisture probe access holes. Baseline information shows a zone of higher moisture content at approximately 1.5 m (5 ft) in depth. A sprinkler system simulated a 500-year precipitation event. Results revealed water penetrated the soil to 0.9 m (2.9 ft). Due to the low moisture content, vapor transport was primarily responsible for water movement at this depth. Temperature gradients are substantially responsible for vapor transport by preferentially sorting water-vapor molecules from the surrounding air by using the soil as a molecular sieve. Adsorbed and capillary water vapor pressure increases in response to a temperature increase and releases additional water to the soil pore atmosphere to be diffused away

Eddy transport of water vapor in the Martian atmosphere

Science.gov (United States)

Murphy, J. R.; Haberle, Robert M.

1993-01-01

Viking orbiter measurements of the Martian atmosphere suggest that the residual north polar water-ice cap is the primary source of atmospheric water vapor, which appears at successively lower northern latitudes as the summer season progresses. Zonally symmetric studies of water vapor transport indicate that the zonal mean meridional circulation is incapable of transporting from north polar regions to low latitudes the quantity of water vapor observed. This result has been interpreted as implying the presence of nonpolar sources of water. Another possibility is the ability of atmospheric wave motions, which are not accounted for in a zonally symmetric framework, to efficiently accomplish the transport from a north polar source to the entirety of the Northern Hemisphere. The ability or inability of the full range of atmospheric motions to accomplish this transport has important implications regarding the questions of water sources and sinks on Mars: if the full spectrum of atmospheric motions proves to be incapable of accomplishing the transport, it strengthens arguments in favor of additional water sources. Preliminary results from a three dimensional atmospheric dynamical/water vapor transport numerical model are presented. The model accounts for the physics of a subliming water-ice cap, but does not yet incorporate recondensation of this sublimed water. Transport of vapor away from this water-ice cap in this three dimensional framework is compared with previously obtained zonally symmetric (two dimensional) results to quantify effects of water vapor transport by atmospheric eddies.

Coupled 3D neutron kinetics and thermalhydraulic characteristics of the Canadian supercritical water reactor

Energy Technology Data Exchange (ETDEWEB)

Hummel, David William, E-mail: hummeld@mcmaster.ca; Novog, David Raymond

2016-03-15

Highlights: • A coupled spatial kinetics and thermalhydraulics model of the PT-SCWR was created. • Positive power excursions were demonstrated during accident-like transients. • The reactor will inherently self-shutdown in such transients with some delay. • A fast-acting shutdown system would limit the consequences of the power pulse. - Abstract: The Canadian Supercritical Water-cooled Reactor concept, as an evolution of the CANada Deuterium Uranium (CANDU) reactor, includes both pressure tubes and a low temperature heavy water moderator. The current Pressure Tube type SCWR (PT-SCWR) concept features 64-element fuel assemblies placed within High Efficiency Re-entrant Channels (HERCs) that connect to core inlet and outlet plena. Among current SCWR concepts the PT-SCWR is unique in that the HERC separates multiple coolant and moderator regions, giving rise to coupled neutronic-thermalhydraulic feedbacks beyond those present in CANDU or contemporary Light Water Reactors. The objective of this work was thus to model the coupled neutronic-thermal hydraulic properties of the PT-SCWR to establish the impact of these multiple regions on the core's transient behavior. To that end, the features of the PT-SCWR were first modeled with the neutron transport code DRAGON to create a database of homogenized and condensed cross-sections and thermalhydraulic feedback coefficients. These were used as input to a core-level neutron diffusion model created with the code DONJON. The behavior of the primary heat transport system was modeled with the thermalhydraulic system code CATHENA. A procedure was developed to couple the outputs of DONJON and CATHENA, facilitating three-dimensional spatial neutron kinetics and coupled thermalhydraulic analysis of the PT-SCWR core. Several postulated transients were initiated within the coupled model by changing the core inlet and outlet boundary conditions. Decreasing coolant density around the fuel was demonstrated to produce positive

Heat Transfer in Directional Water Transport Fabrics

Directory of Open Access Journals (Sweden)

Chao Zeng

2016-10-01

Full Text Available Directional water transport fabrics can proactively transfer moisture from the body. They show great potential in making sportswear and summer clothing. While moisture transfer has been previously reported, heat transfer in directional water transport fabrics has been little reported in research literature. In this study, a directional water transport fabric was prepared using an electrospraying technique and its heat transfer properties under dry and wet states were evaluated, and compared with untreated control fabric and the one pre-treated with NaOH. All the fabric samples showed similar heat transfer features in the dry state, and the equilibrium temperature in the dry state was higher than for the wet state. Wetting considerably enhanced the thermal conductivity of the fabrics. Our studies indicate that directional water transport treatment assists in moving water toward one side of the fabric, but has little effect on thermal transfer performance. This study may be useful for development of “smart” textiles for various applications.

Students' Conceptions of Water Transport

Science.gov (United States)

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

2010-01-01

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

On the development and benchmarking of an approach to model gas transport in fractured media with immobile water storage

Science.gov (United States)

Harp, D. R.; Ortiz, J. P.; Pandey, S.; Karra, S.; Viswanathan, H. S.; Stauffer, P. H.; Anderson, D. N.; Bradley, C. R.

2017-12-01

In unsaturated fractured media, the rate of gas transport is much greater than liquid transport in many applications (e.g., soil vapor extraction operations, methane leaks from hydraulic fracking, shallow CO2 transport from geologic sequestration operations, and later-time radionuclide gas transport from underground nuclear explosions). However, the relatively immobile pore water can inhibit or promote gas transport for soluble constituents by providing storage. In scenarios with constant pressure gradients, the gas transport will be retarded. In scenarios with reversing pressure gradients (i.e. barometric pressure variations) pore water storage can enhance gas transport by providing a ratcheting mechanism. Recognizing the computational efficiency that can be gained using a single-phase model and the necessity of considering pore water storage, we develop a Richard's solution approach that includes kinetic dissolution/volatilization of constituents. Henry's Law governs the equilibrium gaseous/aqueous phase partitioning in the approach. The approach is implemented in a development branch of the PFLOTRAN simulator. We verify the approach with analytical solutions of: (1) 1D gas diffusion, (2) 1D gas advection, (3) sinusoidal barometric pumping of a fracture, and (4) gas transport along a fracture with uniform flow and diffusive walls. We demonstrate the retardation of gas transport in cases with constant pressure gradients and the enhancement of gas transport with reversing pressure gradients. The figure presents the verification of our approach to the analytical solution of barometric pumping of a fracture from Nilson et al (1991) where the x-axis "Horizontal axis" is the distance into the matrix block from the fracture.

Transport phenomena and kinetic theory applications to gases, semiconductors, photons, and biological systems

CERN Document Server

Gabetta, Ester

2007-01-01

The study of kinetic equations related to gases, semiconductors, photons, traffic flow, and other systems has developed rapidly in recent years because of its role as a mathematical tool in many applications in areas such as engineering, meteorology, biology, chemistry, materials science, nanotechnology, and pharmacy. Written by leading specialists in their respective fields, this book presents an overview of recent developments in the field of mathematical kinetic theory with a focus on modeling complex systems, emphasizing both mathematical properties and their physical meaning. The overall presentation covers not only modeling aspects and qualitative analysis of mathematical problems, but also inverse problems, which lead to a detailed assessment of models in connection with their applications, and to computational problems, which lead to an effective link of models to the analysis of real-world systems. "Transport Phenomena and Kinetic Theory" is an excellent self-study reference for graduate students, re...

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

Science.gov (United States)

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

2015-12-01

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

Transport properties of fission product vapors

International Nuclear Information System (INIS)

Im, K.H.; Ahluwalia, R.K.

1983-07-01

Kinetic theory of gases is used to calculate the transport properties of fission product vapors in a steam and hydrogen environment. Provided in tabular form is diffusivity of steam and hydrogen, viscosity and thermal conductivity of the gaseous mixture, and diffusivity of cesium iodide, cesium hydroxide, diatomic tellurium and tellurium dioxide. These transport properties are required in determining the thermal-hydraulics of and fission product transport in light water reactors

Transport parameters for the modelling of water transport in ionomer membranes for PEM-fuel cells

International Nuclear Information System (INIS)

Meier, Frank; Eigenberger, Gerhart

2004-01-01

The water transport number (drag coefficient) and the hydraulic permeability were measured for Nafion. The results show a significant increase of both parameters with increasing water content indicating that they are strongly influenced by the membrane microstructure. Based on these experimental studies a new model approach to describe water transport in the H 2 -PEFC membrane is presented. This approach considers water transport by electro-osmosis caused by the proton flux through the membrane and by osmosis caused by a gradient in the chemical potential of water. It is parametrized by the measured data for the water transport number and the hydraulic permeability of Nafion. First simulation results applying this approach to a one-dimensional model of the H 2 -PEFC show good agreement with experimental data. Therefore, the developed model can be used for a new insight into the dominating mechanisms of water transport in the membrane

Fuel cell water transport

Science.gov (United States)

Vanderborgh, Nicholas E.; Hedstrom, James C.

1990-01-01

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

Recent developments in identification of kinetic and transport models from experimental data. Contributed Paper IT-08

International Nuclear Information System (INIS)

Bhatt, Nirav P.

2014-01-01

In this presentation, we will discuss recent developments in area of identification of kinetic and transport models from experimental data, and their importance in spent fuel reprocessing. The traditional kinetic modelling approaches, differentiation and integral methods, will be presented to set the stage. Then, two frameworks of identifying kinetic and transport models will be presented in details. These frameworks can be classified as follows: (i) simultaneous or global model identification (SMI), and (ii) incremental model identification (IMI). In the SMI framework, as name indicates, rate expressions of all reactions are integrated to predict concentrations that are fitted to measured values via a least-squares problem simultaneously. Alternatively, the identification task can be split into a sequence of sub-problems such as the identification of stoichiometry and rate expressions. For each subproblem, the number of model candidates can be kept small. In addition, the information available at a given step can be used to refine the model in subsequent steps. Further, the advantages and disadvantages of these frameworks will be presented

Sulfate transport kinetics and toxicity are modulated by sodium in aquatic insects.

Science.gov (United States)

Scheibener, Shane; Conley, Justin M; Buchwalter, David

2017-09-01

The salinization of freshwater ecosystems is emerging as a major ecological issue. Several anthropogenic causes of salinization (e.g. surface coal mining, hydro-fracking, road de-icing, irrigation of arid lands, etc.) are associated with biodiversity losses in freshwater ecosystems. Because insects tend to dominate freshwater ecology, it is important that we develop a better understanding of how and why different species respond to salinity matrices dominated by different major ions. This study builds upon previous work demonstrating that major ion toxicity to the mayfly Neocloeon triangulifer was apparently due to the ionic composition of water rather than specific conductance. Synthetic waters with low Ca:Mg ratios and high SO 4 :Na ratios produced toxicity, whereas waters with higher Ca:Mg ratios and lower SO 4 :Na ratios were not toxic to mayflies at comparable conductivities. Here we used a radiotracer approach to show that Mg did not competitively exclude Ca uptake at environmentally realistic ratios in 4 aquatic insect species. We characterized SO 4 uptake kinetics in 5 mayflies and assessed the influence of different ions on SO 4 uptake. Dual label experiments show an inverse relationship between SO 4 and Na transport rates as SO 4 was held constant and Na was increased, suggesting that Na (and not Cl or HCO 3 ) is antagonistic to SO 4 transport. Based on this observation, we tested the hypothesis that increasing Na would protect against SO 4 induced toxicity in a Na-dependent manner. Increasing Na from 0.7 to 10.9mM improved 96-h survivorship associated with 20.8mM SO 4 from 44% to 73% in a concentration dependent manner. However, when Na reached 21.8mM, survivorship decreased to 16%, suggesting that other interactive effects of major ions caused toxicity under those conditions. Thus, the combination of elevated sulfate and low sodium commonly observed in streams affected by mountaintop coal mining has the potential to cause toxicity in sensitive aquatic

A kinetic model for chemical reactions without barriers: transport coefficients and eigenmodes

International Nuclear Information System (INIS)

Alves, Giselle M; Kremer, Gilberto M; Marques, Wilson Jr; Soares, Ana Jacinta

2011-01-01

The kinetic model of the Boltzmann equation proposed in the work of Kremer and Soares 2009 for a binary mixture undergoing chemical reactions of symmetric type which occur without activation energy is revisited here, with the aim of investigating in detail the transport properties of the reactive mixture and the influence of the reaction process on the transport coefficients. Accordingly, the non-equilibrium solutions of the Boltzmann equations are determined through an expansion in Sonine polynomials up to the first order, using the Chapman–Enskog method, in a chemical regime for which the reaction process is close to its final equilibrium state. The non-equilibrium deviations are explicitly calculated for what concerns the thermal–diffusion ratio and coefficients of shear viscosity, diffusion and thermal conductivity. The theoretical and formal analysis developed in the present paper is complemented with some numerical simulations performed for different concentrations of reactants and products of the reaction as well as for both exothermic and endothermic chemical processes. The results reveal that chemical reactions without energy barrier can induce an appreciable influence on the transport properties of the mixture. Oppositely to the case of reactions with activation energy, the coefficients of shear viscosity and thermal conductivity become larger than those of an inert mixture when the reactions are exothermic. An application of the non-barrier model and its detailed transport picture are included in this paper, in order to investigate the dynamics of the local perturbations on the constituent number densities, and velocity and temperature of the whole mixture, induced by spontaneous internal fluctuations. It is shown that for the longitudinal disturbances there exist two hydrodynamic sound modes, one purely diffusive hydrodynamic mode and one kinetic mode

A kinetic model for chemical reactions without barriers: transport coefficients and eigenmodes

Science.gov (United States)

Alves, Giselle M.; Kremer, Gilberto M.; Marques, Wilson, Jr.; Jacinta Soares, Ana

2011-03-01

The kinetic model of the Boltzmann equation proposed in the work of Kremer and Soares 2009 for a binary mixture undergoing chemical reactions of symmetric type which occur without activation energy is revisited here, with the aim of investigating in detail the transport properties of the reactive mixture and the influence of the reaction process on the transport coefficients. Accordingly, the non-equilibrium solutions of the Boltzmann equations are determined through an expansion in Sonine polynomials up to the first order, using the Chapman-Enskog method, in a chemical regime for which the reaction process is close to its final equilibrium state. The non-equilibrium deviations are explicitly calculated for what concerns the thermal-diffusion ratio and coefficients of shear viscosity, diffusion and thermal conductivity. The theoretical and formal analysis developed in the present paper is complemented with some numerical simulations performed for different concentrations of reactants and products of the reaction as well as for both exothermic and endothermic chemical processes. The results reveal that chemical reactions without energy barrier can induce an appreciable influence on the transport properties of the mixture. Oppositely to the case of reactions with activation energy, the coefficients of shear viscosity and thermal conductivity become larger than those of an inert mixture when the reactions are exothermic. An application of the non-barrier model and its detailed transport picture are included in this paper, in order to investigate the dynamics of the local perturbations on the constituent number densities, and velocity and temperature of the whole mixture, induced by spontaneous internal fluctuations. It is shown that for the longitudinal disturbances there exist two hydrodynamic sound modes, one purely diffusive hydrodynamic mode and one kinetic mode.

Simulation of methyl tert-butyl ether (MTBE) transport to ground water from immobile sources of gasoline in the vadose zone

Science.gov (United States)

Lahvis, M.A.; Rehmann, L.C.

1999-01-01

The mathematical model, R-UNSAT, developed to simulate the transport of benzene and MTBE in representative sand and clay hydrogeologic systems was evaluated. The effects on groundwater were simulated for small, chronic-, and single-volume releases of gasoline trapped in unsaturated soil. Hydrocarbon biodegradation was simulated by using a dual Monod-type kinetics model that includes oxygen and the reactive constituents. MTBE was assumed to be non-reactive. For MTBE, infiltration had the greatest effect on transport to groundwater. Infiltration also affected mass losses of MTBE to the atmosphere, particularly, in fine-grained soils. Depth to groundwater and soil type primarily affected travel times of MTBE to groundwater, but could affect mass-loading rates to groundwater if infiltration is insignificant. For benzene, transport to groundwater was significant only if the depth to the water table was groundwater were generally smaller for benzene than for MTBE by more than two orders of magnitude. Thus, water that recharges an aquifer beneath a spill can be enriched in MTBE relative to benzene when compared to the composition of water in equilibrium with gasoline.

Simulating kinetic parameters in transporter mediated permeability across Caco-2 cells. A case study on estrange-3-sulphate

DEFF Research Database (Denmark)

Rolsted, Kamilla; Rapin, Nicolas; Steffansen, Bente

2011-01-01

Substances that compete for the same saturable intestinal transporters may when dosed together lead to altered permeability and hence influence bioavailability. The aim was to simulate kinetic parameters, i.e. K(m) and J(max), for transporter mediated E(1)S permeability across Caco-2 cells...

Reactions of plutonium and uranium with water: Kinetics and potential hazards

International Nuclear Information System (INIS)

Haschke, J.M.

1995-12-01

The chemistry and kinetics of reactions between water and the metals and hydrides of plutonium and uranium are described in an effort to consolidate information for assessing potential hazards associated with handling and storage. New experimental results and data from literature sources are presented. Kinetic dependencies on pH, salt concentration, temperature and other parameters are reviewed. Corrosion reactions of the metals in near-neutral solutions produce a fine hydridic powder plus hydrogen. The corrosion rate for plutonium in sea water is a thousand-fold faster than for the metal in distilled water and more than a thousand-fold faster than for uranium in sea water. Reaction rates for immersed hydrides of plutonium and uranium are comparable and slower than the corrosion rates for the respective metals. However, uranium trihydride is reported to react violently if a quantity greater than twenty-five grams is rapidly immersed in water. The possibility of a similar autothermic reaction for large quantities of plutonium hydride cannot be excluded. In addition to producing hydrogen, corrosion reactions convert the massive metals into material forms that are readily suspended in water and that are aerosolizable and potentially pyrophoric when dry. Potential hazards associated with criticality, environmental dispersal, spontaneous ignition and explosive gas mixtures are outlined

Effects of growth rate, cell size, motion, and elemental stoichiometry on nutrient transport kinetics.

Science.gov (United States)

Flynn, Kevin J; Skibinski, David O F; Lindemann, Christian

2018-04-01

Nutrient acquisition is a critical determinant for the competitive advantage for auto- and osmohetero- trophs alike. Nutrient limited growth is commonly described on a whole cell basis through reference to a maximum growth rate (Gmax) and a half-saturation constant (KG). This empirical application of a Michaelis-Menten like description ignores the multiple underlying feedbacks between physiology contributing to growth, cell size, elemental stoichiometry and cell motion. Here we explore these relationships with reference to the kinetics of the nutrient transporter protein, the transporter rate density at the cell surface (TRD; potential transport rate per unit plasma-membrane area), and diffusion gradients. While the half saturation value for the limiting nutrient increases rapidly with cell size, significant mitigation is afforded by cell motion (swimming or sedimentation), and by decreasing the cellular carbon density. There is thus potential for high vacuolation and high sedimentation rates in diatoms to significantly decrease KG and increase species competitive advantage. Our results also suggest that Gmax for larger non-diatom protists may be constrained by rates of nutrient transport. For a given carbon density, cell size and TRD, the value of Gmax/KG remains constant. This implies that species or strains with a lower Gmax might coincidentally have a competitive advantage under nutrient limited conditions as they also express lower values of KG. The ability of cells to modulate the TRD according to their nutritional status, and hence change the instantaneous maximum transport rate, has a very marked effect upon transport and growth kinetics. Analyses and dynamic models that do not consider such modulation will inevitably fail to properly reflect competitive advantage in nutrient acquisition. This has important implications for the accurate representation and predictive capabilities of model applications, in particular in a changing environment.

Simulation of the fate of faecal bacteria in estuarine and coastal waters based on a fractionated sediment transport model

Science.gov (United States)

Yang, Chen; Liu, Ying

2017-08-01

A two-dimensional depth-integrated numerical model is refined in this paper to simulate the hydrodynamics, graded sediment transport process and the fate of faecal bacteria in estuarine and coastal waters. The sediment mixture is divided into several fractions according to the grain size. A bed evolution model is adopted to simulate the processes of the bed elevation change and sediment grain size sorting. The faecal bacteria transport equation includes enhanced source and sink terms to represent bacterial kinetic transformation and disappearance or reappearance due to sediment deposition or re-suspension. A novel partition ratio and dynamic decay rates of faecal bacteria are adopted in the numerical model. The model has been applied to the turbid water environment in the Bristol Channel and Severn estuary, UK. The predictions by the present model are compared with field data and those by non-fractionated model.

Separation of oily materials in radioactive waste waters by flotation. Flotation kinetics

International Nuclear Information System (INIS)

Flores E, R.M.; Ortiz O, H.B.

2003-01-01

The rate of separation of oil and total cobalt in the oleaginous residual water previously treated by coagulation/flocculation with a quaternary ammonium amine (25 mgL -1 ) and with modified anionic polyacrylamide (1.5 mgL -1 ) (pH = 7, G 1 = 300 s -1 and G 2 = 30 s -1 ) was determined. The experimental essays to determine the flotation kinetics, its were carried out using as operation and control parameters the air/solids relationship (G/S 0.35), pressure (P =620 kPa) and volume of air-water mixture (V = 37% of V f ), obtained in previous essays, at two different pressure levels and volume of discharged mixture. The kinetic studies of flotation obtained for the flotation system with conventional air dissolved (DAF) its suggest a first order kinetics that it can be represented by the SCC model. At the same time its show that the separation of the present pollutants in the residual water is governed by the removal velocity of the oil. Meanwhile, the concentration of total Co below 1 mgL -1 , on the other hand, the concentration of the 60 Co at the end of the flotation process resulted smaller than 0.008 Bq/ml, as long as the one 54 Mn were not detectable. (Author)

Plant–Water Relations (1): Uptake and Transport

Science.gov (United States)

2014-01-01

Summary Plants, like all living things, are mostly water. Water is the matrix of life, and its availability determines the distribution and productivity of plants on earth. Vascular plants evolved structures that enable them to transport water long distances with little input of energy, but the hollow tracheary elements are just one of many adaptations that enable plants to cope with a very dry atmosphere. This lecture examines the physical laws that govern water uptake and transport, the biological properties of cells and plant tissues that facilitate it, and the strategies that enable plants to survive in diverse environments

Quantification of free water transport in peritoneal dialysis

NARCIS (Netherlands)

Smit, Watske; Struijk, Dirk G.; Ho-Dac-Pannekeet, Marja M.; Krediet, Raymond T.

2004-01-01

BACKGROUND: In peritoneal dialysis (PD) total net ultrafiltration (NUF) is dependent on transport through small pores and through water channels in the peritoneum. These channels are impermeable to solutes, and therefore, crystalloid osmotic-induced free water transport occurs through them. Several

Contribution to the modelling and multi-scale numerical simulation of kinetic electron transport in hot plasma

International Nuclear Information System (INIS)

Mallet, J.

2012-01-01

This research thesis stands at the crossroad of plasma physics, numerical analysis and applied mathematics. After an introduction presenting the problematic and previous works, the author recalls some basis of classical kinetic models for plasma physics (collisionless kinetic theory and Vlasov equation, collisional kinetic theory with the non-relativistic Maxwell-Fokker-Plansk system) and describes the fundamental properties of the collision operators such as conservation laws, entropy dissipation, and so on. He reports the improvement of a deterministic numerical method to solve the non-relativistic Vlasov-Maxwell system coupled with Fokker-Planck-Landau type operators. The efficiency of each high order scheme is compared. The evolution of the hot spot is studied in the case of thermonuclear reactions in the centre of the pellet in a weakly collisional regime. The author focuses on the simulation of the kinetic electron collisional transport in inertial confinement fusion (ICF) between the laser absorption zone and the ablation front. A new approach is then introduced to reduce the huge computation time obtained with kinetic models. In a last chapter, the kinetic continuous equation in spherical domain is described and a new model is chosen for collisions in order to preserve collision properties

Anomalous electron transport in Hall-effect thrusters: Comparison between quasi-linear kinetic theory and particle-in-cell simulations

Science.gov (United States)

Lafleur, T.; Martorelli, R.; Chabert, P.; Bourdon, A.

2018-06-01

Kinetic drift instabilities have been implicated as a possible mechanism leading to anomalous electron cross-field transport in E × B discharges, such as Hall-effect thrusters. Such instabilities, which are driven by the large disparity in electron and ion drift velocities, present a significant challenge to modelling efforts without resorting to time-consuming particle-in-cell (PIC) simulations. Here, we test aspects of quasi-linear kinetic theory with 2D PIC simulations with the aim of developing a self-consistent treatment of these instabilities. The specific quantities of interest are the instability growth rate (which determines the spatial and temporal evolution of the instability amplitude), and the instability-enhanced electron-ion friction force (which leads to "anomalous" electron transport). By using the self-consistently obtained electron distribution functions from the PIC simulations (which are in general non-Maxwellian), we find that the predictions of the quasi-linear kinetic theory are in good agreement with the simulation results. By contrast, the use of Maxwellian distributions leads to a growth rate and electron-ion friction force that is around 2-4 times higher, and consequently significantly overestimates the electron transport. A possible method for self-consistently modelling the distribution functions without requiring PIC simulations is discussed.

User manual of the multicompenent variably - saturated flow and transport model HP1

International Nuclear Information System (INIS)

Jacques, D.; Simunek, J.

2005-06-01

This report describes a new comprehensive simulation tool HP1 (HYDRUS1D-PHREEQC) that was obtained by coupling the HYDRUS-1D one-dimensional variably-saturated water flow and solute transport model with the PHREEQC geochemical code. The HP1 code incorporates modules simulating (1) transient water flow in variably-saturated media, (2) transport of multiple components, and (3) mixed equilibrium/kinetic geochemical reactions. The program numerically solves the Richards equation for variably-saturated water flow and advection-dispersion type equations for heat and solute transport. The flow equation incorporates a sink term to account for water uptake by plant roots. The heat transport equation considers transport due to conduction and convection with flowing water. The solute transport equations consider advective-dispersive transport in the liquid phase. The program can simulate a broad range of low-temperature biogeochemical reactions in water, soil and ground water systems including interactions with minerals, gases, exchangers, and sorption surfaces, based on thermodynamic equilibrium, kinetics, or mixed equilibrium-kinetic reactions. The program may be used to analyze water and solute movement in unsaturated, partially saturated, or fully saturated porous media. The flow region may be composed of nonuniform soils or sediments. Flow and transport can occur in the vertical, horizontal, or a generally inclined direction. The water flow part of the model can deal with prescribed head and flux boundaries, boundaries controlled by atmospheric conditions, as well as free drainage boundary conditions. The governing flow and transport equations were solved numerically using Galerkin-type linear finite element schemes. To test the accuracy of the coupling procedures implemented in HP1, simulation results were compared with (i) HYDRUS-1D for transport problems of multiple components subject to sequential first-order decay, (ii) PHREEQC for steady-state flow conditions, and

ELECTROCHEMICAL STUDIES OF URANIUM METAL CORROSION MECHANISM AND KINETICS IN WATER

International Nuclear Information System (INIS)

Boudanova, Natalya; Maslennikov, Alexander; Peretroukhine, Vladimir F.; Delegard, Calvin H.

2006-01-01

During long-term underwater storage of low burn-up uranium metal fuel, a corrosion product sludge forms containing uranium metal grains, uranium dioxide, uranates and, in some cases, uranium peroxide. Literature data on the corrosion of non-irradiated uranium metal and its alloys do not allow unequivocal prediction of the paragenesis of irradiated uranium in water. The goal of the present work conducted under the program 'CORROSION OF IRRADIATED URANIUM ALLOYS FUEL IN WATER' is to study the corrosion of uranium and uranium alloys and the paragenesis of the corrosion products during long-term underwater storage of uranium alloy fuel irradiated at the Hanford Site. The elucidation of the physico-chemical nature of the corrosion of irradiated uranium alloys in comparison with non-irradiated uranium metal and its alloys is one of the most important aspects of this work. Electrochemical methods are being used to study uranium metal corrosion mechanism and kinetics. The present part of work aims to examine and revise, where appropriate, the understanding of uranium metal corrosion mechanism and kinetics in water

Water desorption kinetics of polymer composites with cellulose fibers as filler

Czech Academy of Sciences Publication Activity Database

Vacková, Taťana; Kroisová, D.; Špatenka, P.

2009-01-01

Roč. 48, č. 1 (2009), s. 68-76 ISSN 0022-2348 Institutional research plan: CEZ:AV0Z40500505 Keywords : polymer composites * water desorption kinetics * thermoplastic matrix Subject RIV: CD - Macromolecular Chemistry Impact factor: 0.716, year: 2009

Kinetics of dodecanoic acid adsorption from caustic solution by activated carbon.

Science.gov (United States)

Pendleton, Phillip; Wu, Sophie Hua

2003-10-15

This study examines the influences of adsorbent porosity and surface chemistry and of carbon dosage on dodecanoic acid adsorption kinetics from aqueous and 2 M NaOH solutions as batch adsorption processes. Both adsorbents are steam-activated carbons prepared from either coconut or coal precursors. Prior to use the adsorbents were washed in deionized water or 2 M NaOH. Mass transfer coefficients and effective overall diffusion coefficients indicate a minor contribution from adsorbent porosity. In contrast, high surface oxygen content impedes transport to and into the adsorbent structure. Carbon dosage shows a proportional increase in transport coefficients with increasing mass; these coefficients are constant when normalized per unit mass. Neither water nor NaOH treatment of the adsorbents has a significant influence on dodecanoic acid adsorption kinetics. Molecular and Knudsen diffusion coefficients are defined to demonstrate that the overall effective diffusion coefficient values and the diffusion process are controlled by surface diffusion.

The Economics of Bulk Water Transport in Southern California

Directory of Open Access Journals (Sweden)

Andrew Hodges

2014-12-01

Full Text Available Municipalities often face increasing demand for limited water supplies with few available alternative sources. Under some circumstances, bulk water transport may offer a viable alternative. This case study documents a hypothetical transfer between a water utility district in northern California and urban communities located on the coast of central and southern California. We compare bulk water transport costs to those of constructing a new desalination facility, which is the current plan of many communities for increasing supplies. We find that using water bags to transport fresh water between northern and southern California is in some instances a low-cost alternative to desalination. The choice is constrained, however, by concerns about reliability and, thus, risk. Case-study results demonstrate the challenges of water supply augmentation in water-constrained regions.

Oxidation Kinetics of Chemically Vapor-Deposited Silicon Carbide in Wet Oxygen

Science.gov (United States)

Opila, Elizabeth J.

1994-01-01

The oxidation kinetics of chemically vapor-deposited SiC in dry oxygen and wet oxygen (P(sub H2O) = 0.1 atm) at temperatures between 1200 C and 1400 C were monitored using thermogravimetric analysis. It was found that in a clean environment, 10% water vapor enhanced the oxidation kinetics of SiC only very slightly compared to rates found in dry oxygen. Oxidation kinetics were examined in terms of the Deal and Grove model for oxidation of silicon. It was found that in an environment containing even small amounts of impurities, such as high-purity Al2O3 reaction tubes containing 200 ppm Na, water vapor enhanced the transport of these impurities to the oxidation sample. Oxidation rates increased under these conditions presumably because of the formation of less protective sodium alumino-silicate scales.

Energy transport

International Nuclear Information System (INIS)

Anon.

1982-01-01

The measurement of primary interaction cross sections and the incorporation of these data into Monte Carlo calculations provide detailed information about the initial spatial distribution of absorbed dose. Our theoretical energy transport studies have focused on the use of this information to predict the evolution of chemical species formed as a result of the energy deposition. This effort has led to a stochastic approach to diffusion kinetics that can account for the influence of track structure on the yield of free radicals in the radiolysis of water. Fluorescence studies with pulsed alpha particle and proton beams provided the first experimental test of our stochastic model of tract structure effects. Our experimental studies use time-resolved emission spectroscopy to investigate the mechanism of energy transport in nonpolar liquids. Studies of the concentration dependence of time-resolved emission from solutions of benzene in cyclohexane also show the importance of using low benzene concentrations to minimize the influence of benzene dimers on the emission kinetics

Wet-gas transport in the Mediterranean Sea. Selection of a combined kinetic hydrate/corrosion inhibitor system

Energy Technology Data Exchange (ETDEWEB)

Zettlitzer, M. [RWE Dea AG, Wietze (Germany); Rozengard, N.; Koeckritz, V. [Technical Univ. Freiberg (Germany); Malt, E. [RWE Dea AG (Egypt)

2007-09-13

Raw gas will be collected on a platform in the centre of the field. Due to volume and weight constraints, condensing fluids will not be separated from the gas on the platform so that the raw gas will be transported in three-phase mode (gas, water, and condensate) via a 33 km long pipeline to a gas treatment plant. Under the calculated pipeline pressure of about 100 barg, hydrate formation is - according to the outcome of thermodynamic simulations - to be expected at temperatures of 19 C and below while the pipeline may cool down to about 15 C in winter conditions. Due to logistical, environmental and economic reasons, RWE Dea decided to inhibit hydrate formation with kinetic hydrate inhibitors (KHI). As the gas also contains carbon dioxide, certain corrosivity was forecasted and addition of a corrosion inhibitor turned out to be necessary. Laboratory tests were carried out to confirm the feasibility of the concept and to define the required dosage of KHI. Service companies were contacted and several kinetic hydrate and corrosion inhibitors were screened. Experiments with the different chemicals were performed at the University of Freiberg in a high-pressure cell at the pipeline pressure of 100 barg. Hydrate formation was detected by continuous pressure registration during temperature changes and by observation through a glass window. In order to preselect the chemicals, first tests were performed with pure methane. These tests also served for calibration of the equipment with literature data and especially as an indication for the minimum chemical concentration required. A second test series was performed with synthetic gas in a composition close to that of the field gas under consideration in order to verify the results obtained with methane. Finally, the optimum kinetic hydrate inhibitor was identified as well as the required dosage concentration. Compatibility of KHI and corrosion inhibitor was experimentally proven. A further set of kinetic inhibitor tests with

Coordination and transport of water and carbohydrates in the coupled soil-root-xylem-phloem leaf system

Science.gov (United States)

Katul, Gabriel; Huang, Cheng-Wei

2017-04-01

In response to varying environmental conditions, stomatal pores act as biological valves that dynamically adjust their size thereby determining the rate of CO2 assimilation and water loss (i.e., transpiration) to the atmosphere. Although the significance of this biotic control on gas exchange is rarely disputed, representing parsimoniously all the underlying mechanisms responsible for stomatal kinetics remain a subject of some debate. It has been conjectured that stomatal control in seed plants (i.e., angiosperm and gymnosperm) represents a compromise between biochemical demand for CO2 and prevention of excessive water loss. This view has been amended at the whole-plant level, where xylem hydraulics and sucrose transport efficiency in phloem appear to impose additional constraints on gas exchange. If such additional constraints impact stomatal opening and closure, then seed plants may have evolved coordinated photosynthetic-hydraulic-sugar transporting machinery that confers some competitive advantages in fluctuating environmental conditions. Thus, a stomatal optimization model that explicitly considers xylem hydraulics and maximum sucrose transport is developed to explore this coordination in the leaf-xylem-phloem system. The model is then applied to progressive drought conditions. The main findings from the model calculations are that (1) the predicted stomatal conductance from the conventional stomatal optimization theory at the leaf and the newly proposed models converge, suggesting a tight coordination in the leaf-xylem-phloem system; (2) stomatal control is mainly limited by the water supply function of the soil-xylem hydraulic system especially when the water flux through the transpiration stream is significantly larger than water exchange between xylem and phloem; (3) thus, xylem limitation imposed on the supply function can be used to differentiate species with different water use strategy across the spectrum of isohydric to anisohydric behavior.

Kinetics of radiolysis of irradiated ligno celluloses into soluble products in water and rumen liquid

International Nuclear Information System (INIS)

Tukenmez, I.; Bakioglu, A.T.; Ersen, M.S.

1997-01-01

In order to increase the low bio hydrolysis of ligno celluloses in biotechnological and biological processes where these materials are used as raw materials and ruminant feed, the substrates were pretreated with irradiation to induce radiolytic depolymerisation and then kinetics of their radiolysis into soluble products in water and rumen liquid were analyzed. Wheat straw used as a representative lignocellulose substrate was irradiated at 0-2.5 MGy doses at 20''o''C with an optimum equilibrium humidity of 6.6% in Cs-137 gamma irradiator with a dose rate of 1.8 kGy/h, and soluablefractions in water and in situ rumen liquid were determined gravimetrically. Based on these data, a reaction mechanism was proposed for the radiolysis of ligno celluloses into soluble fractions. From the corresponding reaction rate equations with this mechanism a dose dependent kinetics was derived for the radiolysis of ligno celluloses into water/rumen liquid-soluble products. Defined by this kinetics, the threshold doses for the radiolysis of the substrate into water/rumen liquid-soluble products were respectively found 80.6 kGy and 186.0 kGy, and fractional radiolytic decomposition yields 0.193 MGy''-1''.It was emphasized that developed kinetic models may be used for the process design of irradiation pretreatments to improve the bio hydrolysis of ligno celluloses.(2figs. and 17 refs.)

Kinetic parameters, collision rates, energy exchanges and transport coefficients of non-thermal electrons in premixed flames at sub-breakdown electric field strengths

KAUST Repository

Bisetti, Fabrizio

2014-01-02

The effects of an electric field on the collision rates, energy exchanges and transport properties of electrons in premixed flames are investigated via solutions to the Boltzmann kinetic equation. The case of high electric field strength, which results in high-energy, non-thermal electrons, is analysed in detail at sub-breakdown conditions. The rates of inelastic collisions and the energy exchange between electrons and neutrals in the reaction zone of the flame are characterised quantitatively. The analysis includes attachment, ionisation, impact dissociation, and vibrational and electronic excitation processes. Our results suggest that Townsend breakdown occurs for E/N = 140 Td. Vibrational excitation is the dominant process up to breakdown, despite important rates of electronic excitation of CO, CO2 and N2 as well as impact dissociation of O2 being apparent from 50 Td onwards. Ohmic heating in the reaction zone is found to be negligible (less than 2% of peak heat release rate) up to breakdown field strengths for realistic electron densities equal to 1010 cm-3. The observed trends are largely independent of equivalence ratio. In the non-thermal regime, electron transport coefficients are insensitive to mixture composition and approximately constant across the flame, but are highly dependent on the electric field strength. In the thermal limit, kinetic parameters and transport coefficients vary substantially across the flame due to the spatially inhomogeneous concentration of water vapour. A practical approach for identifying the plasma regime (thermal versus non-thermal) in studies of electric field effects on flames is proposed. © 2014 Taylor & Francis.

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

Science.gov (United States)

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.

Kinetics of Chronic Oxidation of NBG-17 Nuclear Graphite by Water Vapor

Energy Technology Data Exchange (ETDEWEB)

Contescu, Cristian I [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Burchell, Timothy D [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Mee, Robert [Univ. of Tennessee, Knoxville, TN (United States)

2015-05-01

This report presents the results of kinetic measurements during accelerated oxidation tests of NBG-17 nuclear graphite by low concentration of water vapor and hydrogen in ultra-high purity helium. The objective is to determine the parameters in the Langmuir-Hinshelwood (L-H) equation describing the oxidation kinetics of nuclear graphite in the helium coolant of high temperature gas-cooled reactors (HTGR). Although the helium coolant chemistry is strictly controlled during normal operating conditions, trace amounts of moisture (predictably < 0.2 ppm) cannot be avoided. Prolonged exposure of graphite components to water vapor at high temperature will cause very slow (chronic) oxidation over the lifetime of graphite components. This behavior must be understood and predicted for the design and safe operation of gas-cooled nuclear reactors. The results reported here show that, in general, oxidation by water of graphite NBG-17 obeys the L-H mechanism, previously documented for other graphite grades. However, the characteristic kinetic parameters that best describe oxidation rates measured for graphite NBG-17 are different than those reported previously for grades H-451 (General Atomics, 1978) and PCEA (ORNL, 2013). In some specific conditions, certain deviations from the generally accepted L-H model were observed for graphite NBG-17. This graphite is manufactured in Germany by SGL Carbon Group and is a possible candidate for the fuel elements and reflector blocks of HTGR.

Mineral solubility and free energy controls on microbial reaction kinetics: Application to contaminant transport in the subsurface

Energy Technology Data Exchange (ETDEWEB)

Taillefert, Martial [Georgia Inst. of Technology, Atlanta, GA (United States); Van Cappellen, Philippe [Univ. of Waterloo, ON (Canada)

2016-11-14

Recent developments in the theoretical treatment of geomicrobial reaction processes have resulted in the formulation of kinetic models that directly link the rates of microbial respiration and growth to the corresponding thermodynamic driving forces. The overall objective of this project was to verify and calibrate these kinetic models for the microbial reduction of uranium(VI) in geochemical conditions that mimic as much as possible field conditions. The approach combined modeling of bacterial processes using new bioenergetic rate laws, laboratory experiments to determine the bioavailability of uranium during uranium bioreduction, evaluation of microbial growth yield under energy-limited conditions using bioreactor experiments, competition experiments between metabolic processes in environmentally relevant conditions, and model applications at the field scale. The new kinetic descriptions of microbial U(VI) and Fe(III) reduction should replace those currently used in reactive transport models that couple catabolic energy generation and growth of microbial populations to the rates of biogeochemical redox processes. The above work was carried out in collaboration between the groups of Taillefert (batch reactor experiments and reaction modeling) at Georgia Tech and Van Cappellen (retentostat experiments and reactive transport modeling) at University of Waterloo (Canada).

Kinetic phenomena in charged particle transport in gases, swarm parameters and cross section data

International Nuclear Information System (INIS)

Petrovic, Z Lj; Suvakov, M; Nikitovic, Z; Dujko, S; Sasic, O; Jovanovic, J; Malovic, G; Stojanovic, V

2007-01-01

In this review we discuss the current status of the physics of charged particle swarms, mainly electrons. The whole field is analysed mainly through its relationship to plasma modelling and illustrated by some recent examples developed mainly by our group. The measurements of the swarm coefficients and the availability of the data are briefly discussed. More time is devoted to the development of complete electron-molecule cross section sets along with recent examples such as NO, CF 4 and HBr. We extend the discussion to the availability of ion and fast neutral data and how swarm experiments may serve to provide new data. As a point where new insight into the kinetics of charge particle transport is provided, the role of kinetic phenomena is discussed and recent examples are listed. We focus here on giving two examples on how non-conservative processes make dramatic effects in transport, the negative absolute mobility and the negative differential conductivity for positrons in argon. Finally we discuss the applicability of swarm data in plasma modelling and the relationship to other fields where swarm experiments and analysis make significant contributions. (topical review)

Transport in simple liquids and dense gases: kinetic mean-field theory and the KAC limit

International Nuclear Information System (INIS)

Karkheck, J.; Stell, G.; Martina, E.

1982-01-01

Maximization of entropy is used in conjunction with the BBGKY hierarchy to obtain a closed one-particle kinetic equation. For an interparticle potential of hard-sphere core plus smooth attractive tail, this equation contains a hard-core collision integral, identical to that of the revised Enskog theory, plus a mean-field term which is linear in the tail strength. The thermodynamics contained therein leads directly to the now-standard statistical-mechanical methods to construct a state-dependent effective hard-core potential in relation to a more realistic potential. These methods induce an extension of the transport coefficients to the Lennard-Jones potential. Predictions of the resulting transport theory compare very favorably with thermal conductivity and shear viscosity experimental results for real simple liquids and dense gases, and also with molecular dynamics simulation results. Poor agreement between theory and experiment is found for moderately dense and dilute gases. The kinetic theory also contains an entropy functional and an H-theorem is proven. Extension to mixtures is straightforward and the Kac-limit is discussed in detail

Kinetic model for predicting the composition of chlorinated water discharged from power plant cooling systems

International Nuclear Information System (INIS)

Lietzke, M.H.

1977-01-01

A kinetic model for predicting the composition of chlorinated water discharged from power plant cooling systems has been developed. The model incorporates the most important chemical reactions that are known to occur when chlorine is added to natural fresh waters. The simultaneous differential equations, which describe the rates of these chemical reactions, are solved numerically to give the composition of the water as a function of time. A listing of the computer program is included, along with a description of the input variables. A worked-out example illustrates the application of the program to an actual cooling system. An appendix contains a compilation of the known equilibrium and kinetic data for many of the chemical reactions that might be encountered in chlorinating natural fresh waters

The contribution of free water transport and small pore transport to the total fluid removal in peritoneal dialysis

NARCIS (Netherlands)

Parikova, Alena; Smit, Watske; Struijk, Dirk G.; Zweers, Machteld M.; Krediet, Raymond T.

2005-01-01

BACKGROUND: Water transport in peritoneal dialysis (PD) patients is across the small pores and water channels, the latter allowing free water transport. The objective of the study was to investigate the contribution of each transport route on transcapillary ultrafiltration (TCUF). METHODS: Standard

Transport in semiconductor nanowire superlattices described by coupled quantum mechanical and kinetic models.

Science.gov (United States)

Alvaro, M; Bonilla, L L; Carretero, M; Melnik, R V N; Prabhakar, S

2013-08-21

In this paper we develop a kinetic model for the analysis of semiconductor superlattices, accounting for quantum effects. The model consists of a Boltzmann-Poisson type system of equations with simplified Bhatnagar-Gross-Krook collisions, obtained from the general time-dependent Schrödinger-Poisson model using Wigner functions. This system for superlattice transport is supplemented by the quantum mechanical part of the model based on the Ben-Daniel-Duke form of the Schrödinger equation for a cylindrical superlattice of finite radius. The resulting energy spectrum is used to characterize the Fermi-Dirac distribution that appears in the Bhatnagar-Gross-Krook collision, thereby coupling the quantum mechanical and kinetic parts of the model. The kinetic model uses the dispersion relation obtained by the generalized Kronig-Penney method, and allows us to estimate radii of quantum wire superlattices that have the same miniband widths as in experiments. It also allows us to determine more accurately the time-dependent characteristics of superlattices, in particular their current density. Results, for several experimentally grown superlattices, are discussed in the context of self-sustained coherent oscillations of the current density which are important in an increasing range of current and potential applications.

Modelling the effect of acoustic waves on the thermodynamics and kinetics of phase transformation in a solution: Including mass transportation.

Science.gov (United States)

Haqshenas, S R; Ford, I J; Saffari, N

2018-01-14

Effects of acoustic waves on a phase transformation in a metastable phase were investigated in our previous work [S. R. Haqshenas, I. J. Ford, and N. Saffari, "Modelling the effect of acoustic waves on nucleation," J. Chem. Phys. 145, 024315 (2016)]. We developed a non-equimolar dividing surface cluster model and employed it to determine the thermodynamics and kinetics of crystallisation induced by an acoustic field in a mass-conserved system. In the present work, we developed a master equation based on a hybrid Szilard-Fokker-Planck model, which accounts for mass transportation due to acoustic waves. This model can determine the kinetics of nucleation and the early stage of growth of clusters including the Ostwald ripening phenomenon. It was solved numerically to calculate the kinetics of an isothermal sonocrystallisation process in a system with mass transportation. The simulation results show that the effect of mass transportation for different excitations depends on the waveform as well as the imposed boundary conditions and tends to be noticeable in the case of shock waves. The derivations are generic and can be used with any acoustic source and waveform.

Determination of kinetic coefficients for the reduction and removal of uranium from water by the Desulfovibrio desulfuricans bacteria

International Nuclear Information System (INIS)

Tucker, M.D.; Barton, L.L.; Thomson, B.M.

1996-01-01

Uranium contamination of groundwater and surface water from abandoned uranium mill tailings piles is a serious concern in many areas of the western United States. U(VI) is soluble in water and, as a result, is relatively mobile in the environment. U(IV), however, is generally insoluble in water and, therefore, is not subject to aqueous transport. In recent years, researchers have discovered that certain microorganisms, such as the sulfate-reducing bacteria Desuffiovibrio desulfricans, can mediate the reduction of U(VI) to U(IV) by anaerobic respiration. Although the ability of this microorganism to reduce U(VI) has been studied in some detail by previous researchers, the kinetics of the reaction have not been characterized. The purpose of this research was to perform kinetic studies on Desuffiovibrio desulfricans during simultaneous reduction of sulfate and uranium and to determine the mineral phase of uranium after it has been reduced. The studies were conducted in a laboratory-scale chemostat under substrate-limited growth conditions with pyruvate as the substrate. The maximum rate of substrate utilization (k) was determined to be 4.70 days -1 while the half-velocity constant (Ks) was 140 mg CODA. The yield coefficient (Y) was determined to be 0. 17 mg cells/mg COD while the endogenous decay coefficient (kd) was found to be 0.072 days -1 . After reduction, U(IV) precipitated from solution in the uraninite (UO 2 ) phase as predicted by thermodynamics. Uranium removal efficiency as high as 90% was achieved in the chemostat

Tritiated water uptake kinetics in tissue-free water and organically-bound fractions of tomato plants

International Nuclear Information System (INIS)

Spencer, F.S.

1984-03-01

The kinetics of tritiated water (HTO) vapour uptake into tissue-free water tritium (TFWT) and organically bound tritium (OBT) fractions of tomato, Lycopersicon esculentum Mill., cv Vendor, were investigated under controlled growing conditions. Most uptake data fitted a first-order kinetic model, C t = C ∞ (1-e -kt ), where C t is the tritium concentration at time t, Ca the steady-state concentration and k the uptake rate constant. During atmospheric-HTO exposure with clean-water irrigation in open pots the TFWT k values were 0.024 ± 0.023 h -1 for new foliage, 0.104 ± 0.067 h -1 for old foliage and 0.042 ± to 0.136 h -1 for new green fruit. OBT uptake rate constants were 20 percent less for new foliage and 76 percent less for new green fruit. Under steady-state conditions the ratio of tritium specific activities of TWFT to atmospheric HTO were 0.43 in new foliage, 0.46 in old foliage and 0.19 in green fruit. Within the plant, OBT and TFWT ratios were 0.70 for new foliage, 0.63 for old foliage (maximum) and between 0.72 and 1.92 for green fruit. The greater than unity tritium specific activity ratios in green fruit were not attributed to tritium enrichment but rather to the translocation of foliar OBT to the growing fruit which contained lower specific activity TFWT derived from soil water

Effects of antidiuretic hormone on kinetic and energetic determinants of active sodium transport in frog skin.

Science.gov (United States)

Lau, Y T; Lang, M A; Essig, A

1981-10-02

The effects of antidiuretic hormone (ADH) on the rate of transepithelial active Na transport JaNa and the rate of suprabasal O2 consumption of Jsbr were studied in paired hemiskins of frog. Within some 30 min following administration of ADH both JaNa and Jsbr increased to near-maximal levels and then remained stable for at least an hour. On symmetric perturbation of the transepithelial electrical potential delta psi at 6-min intervals, the dependence of JaNa and Jsbr on delta psi was near-linear, both in control and experimental hemi-skins. The stability and near-linearity of the system permitted systematic analysis of the parameters of linear non-equilibrium thermodynamic (NET) and electrical equivalent circuit (EC) formulations. ADH (100 mU/ml) stimulated two of the three NET phenomenological L coefficients, as well as A, the affinity (negative Gibbs free energy) of a metabolic reaction driving transport. Observations at partially depressed levels of transport indicated that the effects of kinetic and energetic factors are to some extent discrete. EC analysis showed stimulation of the amiloride-sensitive conductance Ka, but not of the apparent electromitive force of Na transport 'ENa'. Similar effects were produced by 10 mU/ml of ADH or by 10 mM dibutyryl cyclic AMP, although less marked effects on the L coefficients were noted with the lower concentration of hormone. It is suggested that, in contrast to EC analysis, the NET formulation distinguishes between kinetic and energetic determinants of transport, supporting a dual mechanism of action of ADH.

Water induced sediment levitation enhances downslope transport on Mars.

Science.gov (United States)

Raack, Jan; Conway, Susan J; Herny, Clémence; Balme, Matthew R; Carpy, Sabrina; Patel, Manish R

2017-10-27

On Mars, locally warm surface temperatures (~293 K) occur, leading to the possibility of (transient) liquid water on the surface. However, water exposed to the martian atmosphere will boil, and the sediment transport capacity of such unstable water is not well understood. Here, we present laboratory studies of a newly recognized transport mechanism: "levitation" of saturated sediment bodies on a cushion of vapor released by boiling. Sediment transport where this mechanism is active is about nine times greater than without this effect, reducing the amount of water required to transport comparable sediment volumes by nearly an order of magnitude. Our calculations show that the effect of levitation could persist up to ~48 times longer under reduced martian gravity. Sediment levitation must therefore be considered when evaluating the formation of recent and present-day martian mass wasting features, as much less water may be required to form such features than previously thought.

Kinetic Simulation of Fast Electron Transport with Ionization Effects and Ion Acceleration

International Nuclear Information System (INIS)

Robinson, A. P. L.; Bell, A. R.; Kingham, R. J.

2005-01-01

The generation of relativistic electrons and multi-MeV ions is central to ultra intense (> 1018Wcm-2) laser-solid interactions. The production of energetic particles by lasers has a number of potential applications ranging from Fast Ignition ICF to medicine. In terms of the relativistic (fast) electrons the areas of interest can be divided into three areas. Firstly there is the absorption of laser energy into fast electrons and MeV ions. Secondly there is the transport of fast electrons through the solid target. Finally there is a transduction stage, where the fast electron energy is imparted. This may range from being the electrostatic acceleration of ions at a plasma-vacuum interface, to the heating of a compressed core (as in Fast Ignitor ICF).We have used kinetic simulation codes to study the transport stage and electrostatic ion acceleration. (Author)

Effects of soil water saturation on sampling equilibrium and kinetics of selected polycyclic aromatic hydrocarbons.

Science.gov (United States)

Kim, Pil-Gon; Roh, Ji-Yeon; Hong, Yongseok; Kwon, Jung-Hwan

2017-10-01

Passive sampling can be applied for measuring the freely dissolved concentration of hydrophobic organic chemicals (HOCs) in soil pore water. When using passive samplers under field conditions, however, there are factors that might affect passive sampling equilibrium and kinetics, such as soil water saturation. To determine the effects of soil water saturation on passive sampling, the equilibrium and kinetics of passive sampling were evaluated by observing changes in the distribution coefficient between sampler and soil (K sampler/soil ) and the uptake rate constant (k u ) at various soil water saturations. Polydimethylsiloxane (PDMS) passive samplers were deployed into artificial soils spiked with seven selected polycyclic aromatic hydrocarbons (PAHs). In dry soil (0% water saturation), both K sampler/soil and k u values were much lower than those in wet soils likely due to the contribution of adsorption of PAHs onto soil mineral surfaces and the conformational changes in soil organic matter. For high molecular weight PAHs (chrysene, benzo[a]pyrene, and dibenzo[a,h]anthracene), both K sampler/soil and k u values increased with increasing soil water saturation, whereas they decreased with increasing soil water saturation for low molecular weight PAHs (phenanthrene, anthracene, fluoranthene, and pyrene). Changes in the sorption capacity of soil organic matter with soil water content would be the main cause of the changes in passive sampling equilibrium. Henry's law constant could explain the different behaviors in uptake kinetics of the selected PAHs. The results of this study would be helpful when passive samplers are deployed under various soil water saturations. Copyright © 2017 Elsevier Ltd. All rights reserved.

Characterizing the transplanar and in-plane water transport properties of fabrics under different sweat rate: Forced Flow Water Transport Tester

Science.gov (United States)

Tang, K. P. M.; Chau, K. H.; Kan, C. W.; Fan, J. T.

2015-11-01

The water absorption and transport properties of fabrics are critical to wear comfort, especially for sportswear and protective clothing. A new testing apparatus, namely Forced Flow Water Transport Tester (FFWTT), was developed for characterizing the transplanar and in-plane wicking properties of fabrics based on gravimetric and image analysis technique. The uniqueness of this instrument is that the rate of water supply is adjustable to simulate varying sweat rates with reference to the specific end-use conditions ranging from sitting, walking, running to other strenuous activities. This instrument is versatile in terms of the types of fabrics that can be tested. Twenty four types of fabrics with varying constructions and surface finishes were tested. The results showed that FFWTT was highly sensitive and reproducible in differentiating these fabrics and it suggests that water absorption and transport properties of fabrics are sweat rate-dependent. Additionally, two graphic methods were proposed to map the direction of liquid transport and its relation to skin wetness, which provides easy and direct comparison among different fabrics. Correlation analysis showed that FFWTT results have strong correlation with subjective wetness sensation, implying validity and usefulness of the instrument.

Muonium kinetics in sub- and supercritical water

Energy Technology Data Exchange (ETDEWEB)

Ghandi, K.; Addison-Jones, B.; Brodovitch, J.C.; Kecman, S.; McKenzie, I.; Percival, P.W

2003-02-01

Muonium is long-lived in pure water and has been studied over a very wide range of temperatures and pressures, from 5 deg. C to over 400 deg. C and from 1 to 400 bar. We have determined rate constants for representative reactions of muonium in aqueous solution; equivalent data on H atom kinetics is sparse and stops well short of the maximum temperature and pressure attained in our experiments. The results show remarkable deviations from the predictions of standard reaction theories. In particular, rate constants pass through a maximum with temperature well below the critical point. This seems to be a general phenomenon, since we have observed it for spin-exchange and chemical reactions that are diffusion limited at low temperatures, as well as for activated reactions. We believe that a key factor in the drop of rate constants at high temperature is the cage effect, in particular the number of collisions between a pair of reactants over the duration of their encounter. Whatever the reason, the implications are profound for both the efficiency of supercritical water oxidation reactors and for the modelling of radiation chemistry in pressurized water nuclear reactors.

Muonium kinetics in sub- and supercritical water

International Nuclear Information System (INIS)

Ghandi, K.; Addison-Jones, B.; Brodovitch, J.C.; Kecman, S.; McKenzie, I.; Percival, P.W.

2003-01-01

Muonium is long-lived in pure water and has been studied over a very wide range of temperatures and pressures, from 5 deg. C to over 400 deg. C and from 1 to 400 bar. We have determined rate constants for representative reactions of muonium in aqueous solution; equivalent data on H atom kinetics is sparse and stops well short of the maximum temperature and pressure attained in our experiments. The results show remarkable deviations from the predictions of standard reaction theories. In particular, rate constants pass through a maximum with temperature well below the critical point. This seems to be a general phenomenon, since we have observed it for spin-exchange and chemical reactions that are diffusion limited at low temperatures, as well as for activated reactions. We believe that a key factor in the drop of rate constants at high temperature is the cage effect, in particular the number of collisions between a pair of reactants over the duration of their encounter. Whatever the reason, the implications are profound for both the efficiency of supercritical water oxidation reactors and for the modelling of radiation chemistry in pressurized water nuclear reactors

Linear kinetic theory and particle transport in stochastic mixtures

International Nuclear Information System (INIS)

Pomraning, G.C.

1994-03-01

The primary goal in this research is to develop a comprehensive theory of linear transport/kinetic theory in a stochastic mixture of solids and immiscible fluids. The statistics considered correspond to N-state discrete random variables for the interaction coefficients and sources, with N denoting the number of components of the mixture. The mixing statistics studied are Markovian as well as more general statistics, such as renewal processes. A further goal of this work is to demonstrate the applicability of the formalism to real world engineering problems. This three year program was initiated June 15, 1993 and has been underway nine months. Many significant results have been obtained, both in the formalism development and in representative applications. These results are summarized by listing the archival publications resulting from this grant, including the abstracts taken directly from the papers

Plant water relations I: uptake and transport

Science.gov (United States)

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

Study of water vapour adsorption kinetics on aluminium oxide materials

Science.gov (United States)

Livanova, Alesya; Meshcheryakov, Evgeniy; Reshetnikov, Sergey; Kurzina, Irina

2017-11-01

Adsorbents on the basis of active aluminum oxide are still of demand on the adsorbent-driers market. Despite comprehensive research of alumina adsorbents, and currently is an urgent task to improve their various characteristics, and especially the task of increasing the sorption capacity. In the present work kinetics of the processes of water vapours' adsorption at room temperature on the surface of desiccant samples has been studied. It was obtained on the basis of bayerite and pseudoboehmite experimentally. The samples of pseudoboehmite modified with sodium and potassium ions were taken as study objects. The influence of an adsorbent's grain size on the kinetics of water vapours' adsorption was studied. The 0.125-0.25 mm and 0.5-1.0 mm fractions of this sample were used. It has been revealed that the saturation water vapor fine powder (0.125-0.25 mm) is almost twofold faster in comparison with the sample of fraction 0.5-1.0 mm due to the decrease in diffusion resistance in the pores of the samples when moving from the sample of larger fraction to the fine-dispersed sample. It has been established that the adsorption capacity of the pseudoboehmite samples, modified by alkaline ions, is higher by ˜40 %, than for the original samples on the basis of bayerite and pseudoboehmite.

Chlorine demand and residual chlorine decay kinetics of Kali river water at Kaiga project area

International Nuclear Information System (INIS)

Krishna Bhat, D.; Prakash, T.R.; Thimme Gowda, B.; Sherigara, B.S.; Khader, A.M.A.

1995-01-01

The nuclear power plant at Kaiga would use Kali river water for condenser cooling. This necessitated studies on the chemistry of chlorination such as chlorine demand, kinetics of chlorination and other water characteristics aimed at obtaining base line data. The study revealed significant seasonal variation of chlorine demand ranging from 0.5 ppm to 1.7 ppm (3.0 ppm dose, 30 min contact time) and total consumption of 5.0 ppm (10.0 ppm dose, 48 hours contact time). The reaction follows first order kinetics in chlorine. High correlation of chlorine demand with chlorophyll a, suspended matter, turbidity, silica, nitrite, phosphate and sulphate indicated that chlorine demand is greatly influenced by water quality. (author). 3 refs., 1 tab

Generalized multivariate Fokker-Planck equations derived from kinetic transport theory and linear nonequilibrium thermodynamics

International Nuclear Information System (INIS)

Frank, T.D.

2002-01-01

We study many particle systems in the context of mean field forces, concentration-dependent diffusion coefficients, generalized equilibrium distributions, and quantum statistics. Using kinetic transport theory and linear nonequilibrium thermodynamics we derive for these systems a generalized multivariate Fokker-Planck equation. It is shown that this Fokker-Planck equation describes relaxation processes, has stationary maximum entropy distributions, can have multiple stationary solutions and stationary solutions that differ from Boltzmann distributions

Kinetic model for predicting the concentrations of active halogen species in chlorinated saline cooling waters

International Nuclear Information System (INIS)

Lietzke, M.H.; Haag, W.R.

1979-01-01

A kinetic model for predicting the composition of chlorinated water discharged from power plants using fresh water for cooling was previously reported. The model has now been extended to be applicable to power plants located on estuaries or on the seacoast where saline water is used for cooling purposes. When chloride is added to seawater to prevent biofouling in cooling systems, bromine is liberated. Since this reaction proceeds at a finite rate there is a competition between the bromine (i.e., hypobromous acid) and the added chlorine (i.e., hypochlorous acid) for halogenation of any amine species present in the water. Hence not only chloramines but also bromamines and bromochloramines will be formed, with the relative concentrations a function of the pH, temperature, and salinity of the water. The kinetic model takes into account the chemical reactions leading to the formation and disappearance of the more important halamines and hypohalous acids likely to be encountered in chlorinated saline water

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

International Nuclear Information System (INIS)

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

2014-01-01

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 σ el which determines the response of QGP to the electromagnetic fields present in the early stage of the collision. We study the σ el 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.

Kinetics and mechanism for degradation of dichlorvos by permanganate in drinking water treatment.

Science.gov (United States)

Liu, Chao; Qiang, Zhimin; Adams, Craig; Tian, Fang; Zhang, Tao

2009-08-01

The degradation kinetics and mechanism of dichlorvos by permanganate during drinking water treatment were investigated. The reaction of dichlorvos with permanganate was of second-order overall with negligible pH dependence and an activation energy of 29.5 kJ x mol(-1). At pH 7.0 and 25 degrees C, the rate constant was 25.2+/-0.4M(-1)s(-1). Dichlorvos was first degraded to trimethyl phosphate (TMP) and dimethyl phosphate (DMP) simultaneously which approximately accounted for or=95% with respect to phosphorus mass, respectively. Further oxidation of DMP generated a final byproduct, monomethyl phosphate (MMP). MMP was for the first time identified as a major byproduct in chemical oxidation of dichlorvos. The kinetic model based on degradation mechanism and determined reaction rate constants allowed us to predict the evolution of dichlorvos and its byproduct concentrations during permanganate pre-oxidation process at water treatment plants. These results suggest that even though the dichlorvos concentration in surface water complies with the surface water quality standards of China (50 microg L(-1)), its concentration after conventional water treatment will most probably exceed the drinking water quality standards (1 microg L(-1)). Moreover, luminescent bacteria test shows that the acute toxicity of dichlorvos solution evidently increased after permanganate oxidation.

Kinetic simulations of neoclassical and anomalous transport processes in helical systems

International Nuclear Information System (INIS)

Sugama, Hideo; Watanabe, Tomohiko; Nunami, Masanori; Satake, Shinsuke; Matsuoka, Seikichi; Tanaka, Kenji

2012-01-01

Drift kinetic and gyrokinetic theories and simulations are powerful means for quantitative predictions of neoclassical and anomalous transport fluxes in helical systems such as the Large Helical Device (LHD). The δf Monte Carlo particle simulation code, FORTEC-3D, is used to predict radial profiles of the neoclassical particle and heat transport fluxes and the radial electric field in helical systems. The radial electric field profiles in the LHD plasmas are calculated from the ambipolarity condition for the neoclassical particle fluxes obtained by the global simulations using the FORTEC-3D code, in which effects of ion or electron finite orbit widths are included. Gyrokinetic Vlasov simulations using the GKV code verify the theoretical prediction that the neoclassical optimization of helical magnetic configuration enhances the zonal flow generation which leads to the reduction of the turbulent heat diffusivity χ i due to the ion temperature gradient (ITG) turbulence. Comparisons between results for the high ion temperature LHD experiment and the gyrokinetic simulations using the GKV-X code show that the χ i profile and the poloidal wave number spectrum of the density fluctuation obtained from the simulations are in reasonable agreements with the experimental results. It is predicted theoretically and confirmed by the linear GKV simulations that the E × B rotation due to the background radial electric field E r can enhance the zonal-flow response to a given source. Thus, in helical systems, the turbulent transport is linked to the neoclassical transport through E r which is determined from the ambipolar condition for neoclassical particle fluxes and influences the zonal flow generation leading to reduction of the turbulent transport. In order to investigate the E r effect on the regulation of the turbulent transport by the zonal flow generation, the flux-tube bundle model is proposed as a new method for multiscale gyrokinetic simulations. (author)

Quantum field kinetics of QCD: Quark-gluon transport theory for light-cone-dominated processes

International Nuclear Information System (INIS)

Geiger, K.

1996-01-01

A quantum-kinetic formalism is developed to study the dynamical interplay of quantum and statistical-kinetic properties of nonequilibrium multiparton systems produced in high-energy QCD processes. The approach provides the means to follow the quantum dynamics in both space-time and energy-momentum, starting from an arbitrary initial configuration of high-momentum quarks and gluons. Using a generalized functional integral representation and adopting the open-quote open-quote closed-time-path close-quote close-quote Green function techniques, a self-consistent set of equations of motions is obtained: a Ginzburg-Landau equation for a possible color background field, and Dyson-Schwinger equations for the two-point functions of the gluon and quark fields. By exploiting the open-quote open-quote two-scale nature close-quote close-quote of light-cone-dominated QCD processes, i.e., the separation between the quantum scale that specifies the range of short-distance quantum fluctuations, and the kinetic scale that characterizes the range of statistical binary interactions, the quantum field equations of motion are converted into a corresponding set of open-quote open-quote renormalization equations close-quote close-quote and open-quote open-quote transport equations.close-quote close-quote The former describe renormalization and dissipation effects through the evolution of the spectral density of individual, dressed partons, whereas the latter determine the statistical occurrence of scattering processes among these dressed partons. The renormalization equations and the transport equations are coupled, and, hence, must be solved self-consistently. This amounts to evolving the multiparton system, from a specified initial configuration, in time and full seven-dimensional phase space, constrained by the Heisenberg uncertainty principle. (Abstract Truncated)

Liquid water transport mechanism in the gas diffusion layer

Energy Technology Data Exchange (ETDEWEB)

Zhou, P.; Wu, C.W. [State Key Laboratory of Structure Analysis for Industrial Equipment, Department of Engineering Mechanics, Faculty of Vehicle Engineering and Mechanics, Dalian University of Technology, Dalian 116024 (China)

2010-03-01

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

Radionuclide Transport Models Under Ambient Conditions

International Nuclear Information System (INIS)

Moridis, G.; Hu, Q.

2000-01-01

The purpose of this Analysis/Model Report (AMR) is to evaluate (by means of 2-D semianalytical and 3-D numerical models) the transport of radioactive solutes and colloids in the unsaturated zone (UZ) under ambient conditions from the potential repository horizon to the water table at Yucca Mountain (YM), Nevada. This is in accordance with the ''AMR Development Plan U0060, Radionuclide Transport Models Under Ambient Conditions'' (CRWMS M and O 1999a). This AMR supports the UZ Flow and Transport Process Model Report (PMR). This AMR documents the UZ Radionuclide Transport Model (RTM). This model considers: the transport of radionuclides through fractured tuffs; the effects of changes in the intensity and configuration of fracturing from hydrogeologic unit to unit; colloid transport; physical and retardation processes and the effects of perched water. In this AMR they document the capabilities of the UZ RTM, which can describe flow (saturated and/or unsaturated) and transport, and accounts for (a) advection, (b) molecular diffusion, (c) hydrodynamic dispersion (with full 3-D tensorial representation), (d) kinetic or equilibrium physical and/or chemical sorption (linear, Langmuir, Freundlich or combined), (e) first-order linear chemical reaction, (f) radioactive decay and tracking of daughters, (g) colloid filtration (equilibrium, kinetic or combined), and (h) colloid-assisted solute transport. Simulations of transport of radioactive solutes and colloids (incorporating the processes described above) from the repository horizon to the water table are performed to support model development and support studies for Performance Assessment (PA). The input files for these simulations include transport parameters obtained from other AMRs (i.e., CRWMS M and O 1999d, e, f, g, h; 2000a, b, c, d). When not available, the parameter values used are obtained from the literature. The results of the simulations are used to evaluate the transport of radioactive solutes and colloids, and

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

International Nuclear Information System (INIS)

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

Kinetics of trace metal removal from tidal water by mangrove sediments under different redox conditions

International Nuclear Information System (INIS)

Suzuki, K.N.; Machado, E.C.; Machado, W.; Bellido, A.V.B.; Bellido, L.F.; Osso, J.A.; Lopes, R.T.

2014-01-01

The extent in which redox conditions can affect the removal kinetics of 58 Co and 65 Zn from tidal water by mangrove sediments was evaluated in microcosm experiments, simulating a tidal flooding period of 6 h. The average half-removal time (t 1/2 ) of 58 Co from overlaying water was slightly higher (7.3 h) under an N 2 -purged water column than under an aerated water column (5.4 h). A lower difference was found for 65 Zn (1.9 h vs. 1.5 h, respectively). Average removals of 58 Co activities from water were 54.6% (N 2 treatment) and 43.5% (aeration treatment), whereas these values were 88.0% and 92.7% for 65 Zn, respectively. Very contrasting sorption kinetics of different radiotracers occurred, while more oxidising conditions favoured only a slightly higher removal. Average 58 Co and 65 Zn inventories within sediments were 30.4% and 18.8% higher in the aeration treatment, respectively. A stronger particle-reactive behaviour was found for 65 Zn that was less redox-sensitive and more efficiently removed by sediments than 58 Co. - Highlights: ► Radiotracer experiments evidenced the role of mangrove sediments in trapping trace metals. ► Very contrasting removal kinetics from tidal water were observed for 65 Zn and 58 Co. ► Nearly 40%–50% of 58 Co activities and nearly 90% of 65 Zn activities in overlying water were removed. ► 65 Zn showed a stronger particle-reactive behaviour than observed for 58 Co. ► 58 Co was more sensitive to redox conditions in tidal water than observed for 65 Zn

Barriers to Superfast Water Transport in Carbon Nanotube Membranes

DEFF Research Database (Denmark)

Walther, Jens Honore; Ritos, Konstantinos; Cruz-Chu, Eduardo R.

2013-01-01

Carbon nanotube (CNT) membranes hold the promise of extraordinary fast water transport for applications such as energy efficient filtration and molecular level drug delivery. However, experiments and computations have reported flow rate enhancements over continuum hydrodynamics that contradict each...... over the continuum predictions. These rates are far below those reported experimentally. The results suggest that the reported superfast water transport rates cannot be attributed to interactions of water with pristine CNTs alone....

Examination of water quality changes during transportation of different fish

Directory of Open Access Journals (Sweden)

Istvan Nemeth

2015-12-01

Full Text Available Introduction The growth of population is increasing intensively (7.3 billion people in 2015 and it generates growing importance of fish farming. Primarily, fish meat could provide protein requirements for population so more and more attention must be paid to each sections of farming, for example fish transportation. A badly organized transportation technology can significantly reduce high quality stocks which were produced over several years. Deterioration of transport may occur on each fish distinctly. Bacterial or fungal diseases appear either immediately or days later. During our work, changes in several freshwater (peaceful or predator fish species (of different ages were monitored and analyzed during transport. There were two reasons why we examined the main physical and chemical parameters of the water. On one hand, we were curious to know how much the individuals exposed to heavy loads, which we tried to identify with some stress tests. On the other hand, we would develop a national water carrier monitoring system for the practice. Materials and methods Delivery technologies (foil sack and transport tankers used in practice was applied in the experiment of the study in a real road transport. The physical and chemical data were monitored and checked with the use of multiparameter instruments and photometrial tests. Physiological and stress tests were analyzed from blood plasma of each fish, primarily plasma glucose determination was used. Results After analysis of examined fish species and each ages, it is obvious that either short or long delivery times we choose physical and chemical properties of the transport water would change dramatically, even adequate oxygen balance was ensured. Values of individuals exposed to stress were more significant compared to baseline values. Conclusion We could define concrete changes in key parameters of the transport water with the number of realtime transport implementation which is a good help to

X-radiation effect on water transport in ascite cells of Ehrlich carcinoma

International Nuclear Information System (INIS)

Barnov, V.A.; Ajvazishvili, M.A.; Kartvelishvili, I.I.; Tushishvili, D.I.

1988-01-01

Effect of local X radiation with doses 0.05 and 0.15 C/kg on water transport in ascitic cells of Erlich carcinoma is studied in rats. To study water transport through cell membranes, tritium mark was used. It is concluded that radiation effect on water transport in cells of Erlich carcinoma may be related to change in ionic permittivity of the membrane, because small changes in transmembrane ion transport affect immediately the osmotic motion of water. 5 refs

GOES WATER VAPOR TRANSPORT V1

Data.gov (United States)

National Aeronautics and Space Administration — The GOES Water Vapor Transport CD contains nineteen months of geostationary satellite-derived products spanning the 1987/1988 El Nino Southern Oscillation (ENSO)...

Study of kinetics of reaction of lithium deuteride powder with O2, CO2 and water vapor

International Nuclear Information System (INIS)

Li Gan; Lu Guangda; Jing Wenyong; Qin Cheng

2004-01-01

The kinetics of reaction of lithium deuteride powder with O 2 , CO 2 and water vapor is studied. The experimental results show that lithium deuteride reacts with O 2 and CO 2 at very small reaction rate but with water vapor at comparatively larger rate at room temperature (≅28 degree C). The reaction process with water vapor could be described using the unreacted shrinking core model. The second-order kinetics is appropriate for the chemical reaction on the surface of lithium deuteride and reaction rate constant is 0.281 kPa -1 ·min -1

Ion Transport through Diffusion Layer Controlled by Charge Mosaic Membrane

Directory of Open Access Journals (Sweden)

Akira Yamauchi

2012-01-01

Full Text Available The kinetic transport behaviors in near interface of the membranes were studied using commercial anion and cation exchange membrane and charge mosaic membrane. Current-voltage curve gave the limiting current density that indicates the ceiling of conventional flux. From chronopotentiometry above the limiting current density, the transition time was estimated. The thickness of boundary layer was derived with conjunction with the conventional limiting current density and the transition time from steady state flux. On the other hand, the charge mosaic membrane was introduced in order to examine the ion transport on the membrane surface in detail. The concentration profile was discussed by the kinetic transport number with regard to the water dissociation (splitting on the membrane surface.

Self-consistent Kinetic Simulation of RMP-driven Transport: Collisionality and Rotation Effects on RMP Penetration and Transport

Energy Technology Data Exchange (ETDEWEB)

Park, G.; Jeon, Y.; Kim, J., E-mail: gypark@nfri.re.kr [NFRI, Daejeon (Korea, Republic of); Chang, C. [Princeton Plasma Physics Laboratory, Princeton (United States)

2012-09-15

Full text: Control of the edge localized modes (ELMs) is one of the most critical issues for a more successful operation of ITER and the future tokamak fusion reactors. This paper reports ITER relevant simulation results from the XGC0 drift-kinetic code, with respect to the collisionality, plasma density, and rotation dependence of the RMP penetration and the RMP-driven transport in diverted DIII-D geometry with neutral recycling. The simulation results are consistent with the experimental results, and contribute to the physics understanding needed for more confident extrapolation of the present RMP experiments to ITER. It is found that plasma-responded stochasticity becomes weaker as the collisionality gets higher and RMP-driven transport (i.e., density pump-out) is much weaker in the high collisionality case compared with that in the low collisionality one, which is consistent with the recent experimental results on DIII-D and ASDEX-U tokamaks. As for rotation effect, low rotation is found not to affect the stochasticity much in the edge region, while high rotation significantly suppresses the RMPs in the core. The clear difference in RMP behavior between the low and high collisionality regimes can be understood by examining the perturbed current Fourier amplitude profiles within the range of resonant poloidal mode numbers (m = 8 - 15, n = 3). It can be seen that primary shielding currents are strongly concentrated around the steep pedestal region just inside the separatrix, which naturally produces very strong suppression of RMPs there, in low collisionality case. However, in high collisionality case, primary shielding currents are very weak and accumulating toward inner radii leading to the shielding of RMPs further into the plasma. Our kinetic simulation method is also applied to the modeling of RMP ELM control experiments on KSTAR tokamak and the results will be presented together. (author)

KINETICS OF THE PHOTOCATALYTIC DEGRADATION OF SELECTED ORGANIC MICROPOLLUTANTS IN THE WATER ENVIROMENT

Directory of Open Access Journals (Sweden)

Edyta Anna Kudlek

2017-04-01

Full Text Available The paper presents an assessment of the removal degree of selected polycyclic aromatic hydrocarbons (anthracene, benzo(apyrene, xenoestrogens (octylphenol, pentachlorophenol and pharmaceutical compounds (diclofenac in the process of heterogeneous photocatalysis of their water solutions, which were prepared on the base of deionized water. Titanium dioxide at a dose of 100 mg/dm3 was used as a photocatalyst of the process. The kinetics of the process was determined based on the Langmuir-Hinsherlwood equation, assuming the pseudo-first-order reaction of micropollutants decomposition. Furthermore a toxicological analysis of water samples of test compounds was performed by the use of the Microtox® test. It has been found that the micropollutant concentrations decreased with the increase of process time and their removal degree after 60 minutes exceeds 90%. The analysis of the proces kinetic showed that the oxidation of the compounds occurred with the greatest intensity in the first stage of the process up to 10 min. The preformed toxicological assessment confirmed the incomplete decomposition of pollutants and the generation of by-products, which contribute to the increase of the toxicity of treated water solutions.

Interfacial Water-Transport Effects in Proton-Exchange Membranes

Energy Technology Data Exchange (ETDEWEB)

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

2009-11-19

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

Fully-kinetic Ion Simulation of Global Electrostatic Turbulent Transport in C-2U

Science.gov (United States)

Fulton, Daniel; Lau, Calvin; Bao, Jian; Lin, Zhihong; Tajima, Toshiki; TAE Team

2017-10-01

Understanding the nature of particle and energy transport in field-reversed configuration (FRC) plasmas is a crucial step towards an FRC-based fusion reactor. The C-2U device at Tri Alpha Energy (TAE) achieved macroscopically stable plasmas and electron energy confinement time which scaled favorably with electron temperature. This success led to experimental and theoretical investigation of turbulence in C-2U, including gyrokinetic ion simulations with the Gyrokinetic Toroidal Code (GTC). A primary objective of TAE's new C-2W device is to explore transport scaling in an extended parameter regime. In concert with the C-2W experimental campaign, numerical efforts have also been extended in A New Code (ANC) to use fully-kinetic (FK) ions and a Vlasov-Poisson field solver. Global FK ion simulations are presented. Future code development is also discussed.

ETHANOL-WATER ADSORPTION ON COMMERCIAL 3A ZEOLITES: KINETIC AND THERMODYNAMIC DATA

Directory of Open Access Journals (Sweden)

M.J. Carmo

1997-09-01

Full Text Available Dehydration of ethanol via adsorption using molecular sieves has recently been suggested as a promising alternative to the conventional separation methods for ethanol-water mixtures. 3A zeolites possess selective micropores whereon, due to the small size of their pores, the water molecules are adsorbed while the ethanol molecules are excluded. The scope of this work was, hence, the thermodynamic and kinetic study of ethanol-water adsorption on commercial zeolites of different origins, with the aim to select the best one. For the thermodynamic study, a thermostated bath was used at four different temperatures, where the data obtained by the static method could be correlated by means of a nonlinear isotherm. The kinetic data were obtained in a circulating finite liquid bath cell, where the effect of the temperature and of the mean diameter of the adsorbent particles on the rate of adsorption was studied. The results obtained in this way, expressed through uptake rate curves, showed that the adsorption rates were strongly dependent on the parameters studied. On comparing the adsorption rates among the adsorbents (commercial 3A zeolites, it could be concluded that, under the same operational conditions, exists a pronounced difference among them

Water renewal in Montevideo's bay: a two compartments model for tritium kinetics

International Nuclear Information System (INIS)

Suarez-Antola, Roberto

2013-01-01

During field work about dynamics and renewal of water in Montevideo's Bay, 100 Ci of tritiated water were evenly distributed in the north-east region of the bay, by a continuous injection of a solution, during 5 hours, from a 200 litres tank, using a peristaltic pump. The whole bay was divided in 20 concentration cells, taking into account available bathymetric charts and corrections from field data obtained in situ. Tritium concentrations (activities per unit volume) and other relevant parameters (temperature, electrical conductivity, etc.) were measured in vertical profiles during three weeks, in the mid-point of each cell, first twice a day and the on a daily basis. Remnant total tritium activity was estimated from cells volumes and midpoint cells activity concentrations. Consistency checks were done. A one compartment model was used to estimate a global renewal time of circa 29 hours. However, the details of the measured tritium kinetics, a careful consideration of bathymetric data, water movements in a tidal environment (measured with drogues, fluorescent tracers and current meters), as well as the results of computer fluid dynamics modelling (in depth averaged) suggests that the bay can be meaningfully divided in two main compartments: a North-East and a South-West compartment. The purpose of this paper is threefold: (1) to describe the construction of a two compartments model for water renewal in Montevideo's Bay, (2) to apply experimental data of tritium kinetics to estimate the parameters of the model, and (3) to discuss the validity of the model and its practical applicability. The meaning of the renewal time of each compartment and its relation with the measured tritium kinetics in each cell is discussed. The perturbations in water circulation and renewal produced by civil works already done or the perturbations that could be expected due to civil works to be done, in relation with Montevideo's harbour, is discussed. The tracer model, jointly with other

Nano and Mesoscale Ion and Water Transport in Perfluorosulfonic AcidMembranes

Science.gov (United States)

2017-10-01

Nano- and Mesoscale Ion and Water Transport in Perfluorosulfonic-Acid Membranes A. R. Crothers a,b , C. J. Radke a,b , A. Z. Weber a a...Berkeley, CA 94720, USA Water and aqueous cations transport along multiple length scales in perfluorosulfonic-acid membranes. Molecular interactions...as a function of hydration. A resistor network upscales the nanoscale properties to predict effective membrane ion and water transport and their

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

Science.gov (United States)

Raven, John A; Doblin, Martina A

2014-12-01

The occurrence of active water transport (net transport against a free energy gradient) in photosynthetic organisms has been debated for several decades. Here, active water transport is considered in terms of its roles, where it is found, and the mechanisms by which it could occur. First there is a brief consideration of the possibility of active water transport into plant xylem in the generation of root pressure and the refilling of embolized xylem elements, and from an unsaturated atmosphere into terrestrial organisms living in habitats with limited availability of liquid water. There is then a more detailed consideration of volume and osmotic regulation in wall-less freshwater unicells, and the possibility of generation of buoyancy in marine phytoplankton such as large-celled diatoms. Calculations show that active water transport is a plausible mechanism to assist cells in upwards vertical movements, requires less energy than synthesis of low-density organic solutes, and potentially on a par with excluding certain ions from the vacuole. © The Author 2014. Published by Oxford University Press on behalf of the Society for Experimental Biology. All rights reserved. For permissions, please email: journals.permissions@oup.com.

GOES WATER VAPOR TRANSPORT V1

Data.gov (United States)

National Aeronautics and Space Administration — The GOES Water Vapor Transport CD contains nineteen months of geostationary satellite-derived products from the GOES-8 satellite spanning the 1987-1988 El Nino...

Dissolution kinetics of volatile organic compound vapors in water : An integrated experimental and computational study

NARCIS (Netherlands)

G. Mahmoodlu, Mojtaba; Pontedeiro, Elizabeth M.; Pérez Guerrero, Jesús S.; Raoof, Amir; Hassanizadeh, S. Majid; van Genuchten, Martinus Th

In this study we performed batch experiments to investigate the dissolution kinetics of trichloroethylene (TCE) and toluene vapors in water at room temperature and atmospheric pressure. The batch systems consisted of a water reservoir and a connected headspace, the latter containing a small glass

Kinetics of the high- to low-density amorphous water transition

International Nuclear Information System (INIS)

Koza, M M; Schober, H; Fischer, H E; Hansen, T; Fujara, F

2003-01-01

In situ neutron diffraction experiments have been carried out to study the kinetics of the transformation of high-density amorphous (HDA) water into its low-density amorphous state at temperatures 87 K ≤ T ≤ 110 K. It is found that three different stages are comprised in this transformation, namely an annealing process of the high-density matrix followed by a first-order-like transition into a low-density state, which can be further annealed at higher temperatures T ≤ 127 K. The annealing kinetics of the HDA state follows the logarithm of time as found in other systems showing polyamorphism. According to the theory of transformation by nucleation and growth the apparent first-order transition follows an Avrami-Kolmogorov behaviour. An energy barrier ΔE ∼ 33 k Jmol -1 is estimated from the temperature dependence of this transition

Modelling of water and chloride transport in concrete during yearly wetting/drying cycles

NARCIS (Netherlands)

Van Der Zanden, A.J.J.; Taher, A.; Arends, T.

2015-01-01

The simultaneous transport of water and chloride in concrete has been modelled. The water transport is described with a concentration dependent diffusion coefficient. The chloride transport is modelled with a convective part, caused by the water transport, and a diffusive part, caused by the

Concerted orientation induced unidirectional water transport through nanochannels.

Science.gov (United States)

Wan, Rongzheng; Lu, Hangjun; Li, Jinyuan; Bao, Jingdong; Hu, Jun; Fang, Haiping

2009-11-14

The dynamics of water inside nanochannels is of great importance for biological activities as well as for the design of molecular sensors, devices, and machines, particularly for sea water desalination. When confined in specially sized nanochannels, water molecules form a single-file structure with concerted dipole orientations, which collectively flip between the directions along and against the nanotube axis. In this paper, by using molecular dynamics simulations, we observed a net flux along the dipole-orientation without any application of an external electric field or external pressure difference during the time period of the particular concerted dipole orientations of the molecules along or against the nanotube axis. We found that this unique special-directional water transportation resulted from the asymmetric potential of water-water interaction along the nanochannel, which originated from the concerted dipole orientation of the water molecules that breaks the symmetry of water orientation distribution along the channel within a finite time period. This finding suggests a new mechanism for achieving high-flux water transportation, which may be useful for nanotechnology and biological applications.

Implementation of the kinetics in the transport code AZTRAN; Implementacion de la cinetica en el codigo de transporte AZTRAN

Energy Technology Data Exchange (ETDEWEB)

Duran G, J. A.; Del Valle G, E. [IPN, Escuela Superior de Fisica y Matematicas, Av. IPN s/n, San Pedro Zacatenco, 07738 Ciudad de Mexico (Mexico); Gomez T, A. M., E-mail: redfield1290@gmail.com [ININ, Carretera Mexico-Toluca s/n, 52750 Ocoyoacac, Estado de Mexico (Mexico)

2017-09-15

This paper shows the implementation of the time dependence in the three-dimensional transport code AZTRAN (AZtlan TRANsport), which belongs to the AZTLAN platform, for the analysis of nuclear reactors (currently under development). The AZTRAN code with this implementation is able to numerically solve the time-dependent transport equation in XYZ geometry, for several energy groups, using the discrete ordinate method S{sub n} for the discretization of the angular variable, the nodal method RTN-0 for spatial discretization and method 0 for discretization in time. Initially, the code only solved the neutrons transport equation in steady state, so the implementation of the temporal part was made integrating the neutrons transport equation with respect to time and balance equations corresponding to the concentrations of delayed neutron precursors, for which method 0 was applied. After having directly implemented code kinetics, the improved quasi-static method was implemented, which is a tool for reducing computation time, where the angular flow is factored by the product of two functions called shape function and amplitude function, where the first is calculated for long time steps, called macro-steps and the second is resolved for small time steps called micro-steps. In the new version of AZTRAN several Benchmark problems that were taken from the literature were simulated, the problems used are of two and three dimensions which allowed corroborating the accuracy and stability of the code, showing in general in the reference tests a good behavior. (Author)

Water transport in graphene nano-channels

DEFF Research Database (Denmark)

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

The transport of water in nanopores is of both fundamental and practical interest. Graphene Channels (GCs) are potential building blocks for nanofluidic devices dueto their molecularly smooth walls and exceptional mechanical properties. Numerous studies have found a significant flow rate enhancem......The transport of water in nanopores is of both fundamental and practical interest. Graphene Channels (GCs) are potential building blocks for nanofluidic devices dueto their molecularly smooth walls and exceptional mechanical properties. Numerous studies have found a significant flow rate...... between the chirality of the graphene walls and the slip length has not been established. In this study, we perform non-equilibrium molecular dynamics simulations of water flow in single- and multi-walled GCs. We examine the influence on the flow rates of dissipating the viscous heat produced...... by connecting the thermostat to the water molecules, the CNT wall atoms or both of them. From the atomic trajectories, we compute the fluid flow rates in GCs with zig-zag and armchair walls, heights from 1 to 4 nm and different number of graphene layers on the walls. A relation between the chirality, slip...

Benchmark of the local drift-kinetic models for neoclassical transport simulation in helical plasmas

Science.gov (United States)

Huang, B.; Satake, S.; Kanno, R.; Sugama, H.; Matsuoka, S.

2017-02-01

The benchmarks of the neoclassical transport codes based on the several local drift-kinetic models are reported here. Here, the drift-kinetic models are zero orbit width (ZOW), zero magnetic drift, DKES-like, and global, as classified in Matsuoka et al. [Phys. Plasmas 22, 072511 (2015)]. The magnetic geometries of Helically Symmetric Experiment, Large Helical Device (LHD), and Wendelstein 7-X are employed in the benchmarks. It is found that the assumption of E ×B incompressibility causes discrepancy of neoclassical radial flux and parallel flow among the models when E ×B is sufficiently large compared to the magnetic drift velocities. For example, Mp≤0.4 where Mp is the poloidal Mach number. On the other hand, when E ×B and the magnetic drift velocities are comparable, the tangential magnetic drift, which is included in both the global and ZOW models, fills the role of suppressing unphysical peaking of neoclassical radial-fluxes found in the other local models at Er≃0 . In low collisionality plasmas, in particular, the tangential drift effect works well to suppress such unphysical behavior of the radial transport caused in the simulations. It is demonstrated that the ZOW model has the advantage of mitigating the unphysical behavior in the several magnetic geometries, and that it also implements the evaluation of bootstrap current in LHD with the low computation cost compared to the global model.

Zirconium metal-water oxidation kinetics. I. Thermometry

International Nuclear Information System (INIS)

Cathcart, J.V.; McElroy, D.L.; Pawel, R.E.; Perkins, R.A.; Williams, R.K.; Yurek, G.J.

1976-02-01

A description is given of the thermometry techniques used in the Zirconium Metal--Water Oxidation Kinetics Program. Temperature measurements in the range 900 to 1500 0 C are made in three experimental systems: two oxidation apparatuses and the annealing furnace used in a corollary study of the diffusion of oxygen in β-Zircaloy. Carefully calibrated Pt vs Pt--10 percent Rh thermocouples are employed in all three apparatuses, while a Pt--6 percent Rh vs Pt-- 30 percent Rh thermocouple and an optical pyrometer are used in addition in the annealing furnace. Features of the experimental systems pertaining to thermocouple installation, temperature control, emf measurements, etc. are described, and potential temperature-measurement error sources are discussed in detail. The accuracy of the temperature measurements is analyzed

Transport of hydrate slurry at high water cut

OpenAIRE

Melchuna , Aline; Cameirão , Ana; Herri , Jean-Michel; Ouabbas , Yamina; Glenat , Philippe

2014-01-01

Poster; International audience; Oil transportation in pipelines at the end of field production life implies to flow high quantities of water which represents the dominant phase. The process of crystallization of gas hydrates in this system needs to be studied and compared to the opposite one widely studied in the literature where water is the dispersed phase. The laboratory is equipped with the Archimede flow loop where the hydrate crystallization and transport are monitored. The flow loop is...

Chloroquine transport in Plasmodium falciparum. 1. Influx and efflux kinetics for live trophozoite parasites using a novel fluorescent chloroquine probe.

Science.gov (United States)

Cabrera, Mynthia; Natarajan, Jayakumar; Paguio, Michelle F; Wolf, Christian; Urbach, Jeffrey S; Roepe, Paul D

2009-10-13

Several models for how amino acid substitutions in the Plasmodium falciparum chloroquine resistance transporter (PfCRT) confer resistance to chloroquine (CQ) and other antimalarial drugs have been proposed. Distinguishing between these models requires detailed analysis of high-resolution CQ transport data that is unfortunately impossible to obtain with traditional radio-tracer methods. Thus, we have designed and synthesized fluorescent CQ analogues for drug transport studies. One probe places a NBD (6-(N-(7-nitrobenz-2-oxa-1,3-diazol-4-yl)amino)hexanoic acid) group at the tertiary aliphatic N of CQ, via a flexible 6 C amide linker. This probe localizes to the malarial parasite digestive vacuole (DV) during initial perfusion under physiologic conditions and exhibits similar pharmacology relative to CQ, vs both CQ-sensitive (CQS) and CQ-resistant (CQR) parasites. Using live, synchronized intraerythrocytic parasites under continuous perfusion, we define NBD-CQ influx and efflux kinetics for CQS vs CQR parasites. Since this fluorescence approach provides data at much higher kinetic resolution relative to fast-filtration methods using (3)H-CQ, rate constants vs linear initial rates for CQ probe flux can be analyzed in detail. Importantly, we find that CQR parasites have a decreased rate constant for CQ influx into the DV and that this is due to mutation of PfCRT. Analysis of zero trans efflux for CQS and CQR parasites suggests that distinguishing between bound vs free pools of intra-DV drug probe is essential for proper kinetic analysis of efflux. The accompanying paper (DOI 10.1021/bi901035j ) further probes efflux kinetics for proteoliposomes containing purified, reconstituted PfCRT.

Carbonate mineral dissolution kinetics in high pressure experiments

Science.gov (United States)

Dethlefsen, F.; Dörr, C.; Schäfer, D.; Ebert, M.

2012-04-01

The potential CO2 reservoirs in the North German Basin are overlain by a series of Mesozoic barrier rocks and aquifers and finally mostly by Tertiary and Quaternary close-to-surface aquifers. The unexpected rise of stored CO2 from its reservoir into close-to-surface aquifer systems, perhaps through a broken well casing, may pose a threat to groundwater quality because of the acidifying effect of CO2 dissolution in water. The consequences may be further worsening of the groundwater quality due to the mobilization of heavy metals. Buffer mechanisms counteracting the acidification are for instance the dissolution of carbonates. Carbonate dissolution kinetics is comparably fast and carbonates can be abundant in close-to-surface aquifers. The disadvantages of batch experiments compared to column experiments in order to determine rate constants are well known and have for instance been described by v. GRINSVEN and RIEMSDIJK (1992). Therefore, we have designed, developed, tested, and used a high-pressure laboratory column system to simulate aquifer conditions in a flow through setup within the CO2-MoPa project. The calcite dissolution kinetics was determined for CO2-pressures of 6, 10, and 50 bars. The results were evaluated by using the PHREEQC code with a 1-D reactive transport model, applying a LASAGA (1984) -type kinetic dissolution equation (PALANDRI and KHARAKA, 2004; eq. 7). While PALANDRI and KHARAKA (2004) gave calcite dissolution rate constants originating from batch experiments of log kacid = -0.3 and log kneutral = -5.81, the data of the column experiment were best fitted using log kacid = -2.3 and log kneutral = -7.81, so that the rate constants fitted using the lab experiment applying 50 bars pCO2 were approximately 100 times lower than according to the literature data. Rate constants of experiments performed at less CO2 pressure (pCO2 = 6 bars: log kacid = -1.78; log kneutral = -7.29) were only 30 times lower than literature data. These discrepancies in the

Transport and transformation of surface water masses across the ...

African Journals Online (AJOL)

Transport and transformation of surface water masses across the Mascarene Plateau during the Northeast Monsoon season. ... Mixing occurs in the central gap between intermediate water masses (Red Sea Water [RSW] and Antarctic Intermediate Water [AAIW]) as well as in the upper waters (Subtropical Surface Water ...

Modelling anisotropic water transport in polymer composite

Indian Academy of Sciences (India)

This work reports anisotropic water transport in a polymer composite consisting of an epoxy matrix reinforced with aligned triangular bars made of vinyl ester. By gravimetric experiments, water diffusion in resin and polymer composites were characterized. Parameters for Fickian diffusion and polymer relaxation models were ...

A model for radionuclide transport in the Cooling Water System

International Nuclear Information System (INIS)

Kahook, S.D.

1992-08-01

A radionuclide transport model developed to assess radiological levels in the K-reactor Cooling Water System (CWS) in the event of an inadvertent process water (PW) leakage to the cooling water (CW) in the heat exchangers (HX) is described. During and following a process water leak, the radionuclide transport model determines the time-dependent release rates of radionuclide from the cooling water system to the environment via evaporation to the atmosphere and blow-down to the Savannah River. The developed model allows for delay times associated with the transport of the cooling water radioactivity through cooling water system components. Additionally, this model simulates the time-dependent behavior of radionuclides levels in various CWS components. The developed model is incorporated into the K-reactor Cooling Tower Activity (KCTA) code. KCTA allows the accident (heat exchanger leak rate) and the cooling tower blow-down and evaporation rates to be described as time-dependent functions. Thus, the postulated leak and the consequence of the assumed leak can be modelled realistically. This model is the first of three models to be ultimately assembled to form a comprehensive Liquid Pathway Activity System (LPAS). LPAS will offer integrated formation, transport, deposition, and release estimates for radionuclides formed in a SRS facility. Process water and river water modules are forthcoming as input and downstream components, respectively, for KCTA

Water Transport and Removal in PEMFC Gas Flow Channel with Various Water Droplet Locations and Channel Surface Wettability

Directory of Open Access Journals (Sweden)

Yanzhou Qin

2018-04-01

Full Text Available Water transport and removal in the proton exchange membrane fuel cell (PEMFC is critically important to fuel cell performance, stability, and durability. Water emerging locations on the membrane-electrode assembly (MEA surface and the channel surface wettability significantly influence the water transport and removal in PEMFC. In most simulations of water transport and removal in the PEMFC flow channel, liquid water is usually introduced at the center of the MEA surface, which is fortuitous, since water droplet can emerge randomly on the MEA surface in PEMFC. In addition, the commonly used no-slip wall boundary condition greatly confines the water sliding features on hydrophobic MEA/channel surfaces, degrading the simulation accuracy. In this study, water droplet is introduced with various locations along the channel width direction on the MEA surface, and water transport and removal is investigated numerically using an improved model incorporating the sliding flow property by using the shear wall boundary condition. It is found that the water droplet can be driven to the channel sidewall by aerodynamics when the initial water location deviates from the MEA center to a certain amount, forming the water corner flow in the flow channel. The channel surface wettability on the water transport is also studied and is shown to have a significant impact on the water corner flow in the flow channel.

The transport kinetics and selectivity of HpUreI, the urea channel from Helicobacter pylori†

Science.gov (United States)

Gray, Lawrence R; Gu, Sean X; Quick, Matthias; Khademi, Shahram

2017-01-01

Helicobacter pylori’s unique ability to colonize and survive in the acidic environment of the stomach is critically dependent on uptake of urea through the urea channel, HpUreI. Hence, HpUreI may represent a promising target for the development of specific drugs against this human pathogen. To obtain insight into the structure/function relationship of this channel, we have developed conditions for the high-yield expression and purification of stable recombinant HpUreI that allowed its detailed kinetic characterization in solubilized form and reconstituted into liposomes. Detergent-solubilized HpUreI forms homo-trimer, as determined by chemical cross-linking. Urea dissociation kinetics of purified HpUreI were determined by means of the scintillation proximity assay (SPA), whereas urea efflux was measured in HpUreI-containing proteoliposomes using stopped-flow spectrometry to determine the kinetics and selectivity of the urea channel. The kinetic analyses revealed that urea conduction in HpUreI is pH sensitive and saturable with a half-saturation concentration (or K0.5) of ~163 mM. Binding of urea by HpUreI was increased at lower pH; however, the apparent affinity of urea binding (~150 mM) was not significantly pH dependent. The solute selectivity analysis indicated that HpUreI is highly selective for urea and hydroxyurea. Removing either amino group of urea molecules diminishes their permeability through HpUreI. Similar to urea conduction, water diffusion through HpUreI is pH-dependent with low water permeability at neutral pH. PMID:21877689

Neutron scattering from myelin revisited: bilayer asymmetry and water-exchange kinetics

Energy Technology Data Exchange (ETDEWEB)

Denninger, Andrew R. [Boston College, Chestnut Hill, MA 02467 (United States); Demé, Bruno; Cristiglio, Viviana [Institut Laue–Langevin (ILL), CS 20156, F-38042 Grenoble CEDEX 9 (France); LeDuc, Géraldine [European Synchrotron Radiation Facility (ESRF), CS 40220, F-38043 Grenoble CEDEX 9 (France); Feller, W. Bruce [NOVA Scientific Inc., Sturbridge, MA 01566 (United States); Kirschner, Daniel A., E-mail: kirschnd@bc.edu [Boston College, Chestnut Hill, MA 02467 (United States)

2014-12-01

The structure of internodal myelin in the rodent central and peripheral nervous systems has been determined using neutron diffraction. The kinetics of water exchange in these tissues is also described. Rapid nerve conduction in the central and peripheral nervous systems (CNS and PNS, respectively) of higher vertebrates is brought about by the ensheathment of axons with myelin, a lipid-rich, multilamellar assembly of membranes. The ability of myelin to electrically insulate depends on the regular stacking of these plasma membranes and on the presence of a number of specialized membrane-protein assemblies in the sheath, including the radial component, Schmidt–Lanterman incisures and the axo–glial junctions of the paranodal loops. The disruption of this fine-structure is the basis for many demyelinating neuropathies in the CNS and PNS. Understanding the processes that govern myelin biogenesis, maintenance and destabilization requires knowledge of myelin structure; however, the tight packing of internodal myelin and the complexity of its junctional specializations make myelin a challenging target for comprehensive structural analysis. This paper describes an examination of myelin from the CNS and PNS using neutron diffraction. This investigation revealed the dimensions of the bilayers and aqueous spaces of myelin, asymmetry between the cytoplasmic and extracellular leaflets of the membrane, and the distribution of water and exchangeable hydrogen in internodal multilamellar myelin. It also uncovered differences between CNS and PNS myelin in their water-exchange kinetics.

Simplified estimation technique for organic contaminant transport in ground water

Energy Technology Data Exchange (ETDEWEB)

Piver, W T; Lindstrom, F T

1984-05-01

The analytical solution for one-dimensional dispersive-advective transport of a single solute in a saturated soil accompanied by adsorption onto soil surfaces and first-order reaction rate kinetics for degradation can be used to evaluate the suitability of potential sites for burial of organic chemicals. The technique can be used to the greatest advantage with organic chemicals that are present in ground waters in small amounts. The steady-state solution provides a rapid method for chemical landfill site evaluation because it contains the important variables that describe interactions between hydrodynamics and chemical transformation. With this solution, solute concentration, at a specified distance from the landfill site, is a function of the initial concentration and two dimensionless groups. In the first group, the relative weights of advective and dispersive variables are compared, and in the second group the relative weights of hydrodynamic and degradation variables are compared. The ratio of hydrodynamic to degradation variables can be rearranged and written as (a/sub L lambda)/(q/epsilon), where a/sub L/ is the dispersivity of the soil, lambda is the reaction rate constant, q is ground water flow velocity, and epsilon is the soil porosity. When this term has a value less than 0.01, the degradation process is occurring at such a slow rate relative to the hydrodynamics that it can be neglected. Under these conditions the site is unsuitable because the chemicals are unreactive, and concentrations in ground waters will change very slowly with distance away from the landfill site.

Kinetics of reactions of aquacobalamin with aspartic and glutamic acids and their amides in water solutions

Science.gov (United States)

Bui, T. T. T.; Sal'nikov, D. S.; Dereven'kov, I. A.; Makarov, S. V.

2017-04-01

The kinetics of aquacobalamin reaction with aspartic and glutamic acids, and with their amides in water solutions, is studied via spectrophotometry. The kinetic and activation parameters of the process are determined. It is shown that the reaction product is cobalamin-amino acid complex. The data are compared to results on the reaction between aquacobalamin and primary amines.

A way for evaluating parameters of electron transport in non-polar molecular liquids derived from analysis of the trapped electron recombination kinetics

International Nuclear Information System (INIS)

Lukin, L.V.

2012-01-01

The geminate recombination kinetics of electron-ion pairs produced by high energy radiation in liquid hydrocarbons is considered in the two state model of electron transport. The purpose of the study is to relate the trapped electron transient optical absorption, observed in the pulse radiolysis experiments, to fundamental parameters of electron transport in liquid. It is shown that measurements of the half-life time and amplitude of the trapped electron decay curve allow one to find the electron life time in a localized state. - Highlights: ► A two state electron model is applied to geminate charge recombination. ► Time dependence of trapped electrons is computed for liquid isooctane and squalane. ► Electron decay kinetics depends on electron life time in a localized state. ► Key parameters of electron transport are found from the pulse radiolysis studies.

Transport of water through the tropical tropopause

Science.gov (United States)

Kley, D.; Schmeltekopf, A. L.; Kelly, K.; Winkler, R. H.; Thompson, T. L.; Mcfarland, M.

1982-01-01

Total water was measured in the high troposphere and low stratosphere over Panama during ten aircraft flights. The results show that convective storms provide the means of transporting water into the stratosphere. From a consideration of the anvil heights over different areas of the tropical zone, it follows that a negative gradient of water vapor mixing ratio with altitude must exist over most of the lower stratosphere.

Studies and research concerning BNFP: transportation of radioactive material by water

International Nuclear Information System (INIS)

Anderson, R.T.

1980-11-01

Currently there are many limitations imposed on the shipment of radioactive material from nuclear power plants. In this regard, many questions have arisen related to the feasibility of substituting water transportation of these materials as a backup or supplement to the highway and rail modes which are now in use. This study addresses the results of studies performed by Allied-General Nuclear Services concerning the water transportation of spent nuclear fuel and radwaste materials. The report presents both an overview of the possible applications, problems, and means of solution, and specific information related to one particular site. In particular, a detailed case study of a nuclear plant site located on a navigable waterway (Chesapeake Bay) was made. The study concludes that there are some real advantages in using water transport, which are particularly evident if a site is not served by rail or its primary transport route lies near populous areas. Whereas, water transport has been used extensively in Europe and Japan, it has been virtually bypassed in the United States. A recommendation is made to continue examination of water transport, including the development of necessary standards for possible future operations

A Markov State-based Quantitative Kinetic Model of Sodium Release from the Dopamine Transporter

Science.gov (United States)

Razavi, Asghar M.; Khelashvili, George; Weinstein, Harel

2017-01-01

The dopamine transporter (DAT) belongs to the neurotransmitter:sodium symporter (NSS) family of membrane proteins that are responsible for reuptake of neurotransmitters from the synaptic cleft to terminate a neuronal signal and enable subsequent neurotransmitter release from the presynaptic neuron. The release of one sodium ion from the crystallographically determined sodium binding site Na2 had been identified as an initial step in the transport cycle which prepares the transporter for substrate translocation by stabilizing an inward-open conformation. We have constructed Markov State Models (MSMs) from extensive molecular dynamics simulations of human DAT (hDAT) to explore the mechanism of this sodium release. Our results quantify the release process triggered by hydration of the Na2 site that occurs concomitantly with a conformational transition from an outward-facing to an inward-facing state of the transporter. The kinetics of the release process are computed from the MSM, and transition path theory is used to identify the most probable sodium release pathways. An intermediate state is discovered on the sodium release pathway, and the results reveal the importance of various modes of interaction of the N-terminus of hDAT in controlling the pathways of release.

Arctic water tracks retain phosphorus and transport ammonium

Science.gov (United States)

Harms, T.; Cook, C. L.; Wlostowski, A. N.; Godsey, S.; Gooseff, M. N.

2017-12-01

Hydrologic flowpaths propagate biogeochemical signals among adjacent ecosystems, but reactions may attenuate signals by retaining, removing, or transforming dissolved and suspended materials. The theory of nutrient spiraling describes these simultaneous reaction and transport processes, but its application has been limited to stream channels. We applied nutrient spiraling theory to water tracks, zero-order channels draining Arctic hillslopes that contain perennially saturated soils and flow at the surface either perennially or in response to precipitation. In the Arctic, experimental warming results in increased availability of nitrogen, the limiting nutrient for hillslope vegetation at the study site, which may be delivered to aquatic ecosystems by water tracks. Increased intensity of rain events, deeper snowpack, earlier snowmelt, and increasing thaw depth resulting from climate change might support increased transport of nutrients, but the reactive capacity of hillslope flowpaths, including sorption and uptake by plants and microbes, could counter transport to regulate solute flux. Characteristics of flowpaths might influence the opportunity for reaction, where slower flowpaths increase the contact time between solutes and soils or roots. We measured nitrogen and phosphorus uptake and transient storage of water tracks through the growing season and found that water tracks retain inorganic phosphorus, but transport ammonium. Nutrient uptake was unrelated to transient storage, suggesting high capacity for nutrient retention by shallow organic soils and vegetation. These observations indicate that increased availability of ammonium, the biogeochemical signal of warming tundra, is propagated by hillslope flowpaths, whereas water tracks attenuate delivery of phosphorus to aquatic ecosystems, where its availability typically limits production.

A comprehensive detailed kinetic mechanism for the simulation of transportation fuels

KAUST Repository

Mehl, Marco; Zhang, Kuiwen; Wagnon, Scott; Kukkadapu, Goutham; Westbrook, Charles K.; Pitz, William J.; Zhang, Yinjia; Curran, Henry J.; Al Rachidi, Mariam; Atef, Nour; Sarathy, Mani; Ahmed, Ahfaz

2017-01-01

This work presents a recently compiled comprehensive model for transportations fuels resulting from the collaboration of three research groups: LLNL, NUI Galway and KAUST. In the past 5 years new fundamental calculations led to significant improvements in the fidelity of detailed kinetic models of important surrogate components (e.g. n-heptane, iso-octane, toluene…) improving predictions of the combustion behavior of pure components and mixtures. By extending the newly adopted reaction rate rules, mechanisms for components that were not included in the previous LLNL gasoline and diesel surrogate mechanisms were developed (e.g. polyalkylated aromatics, cycloalkanes, components from bio-logical sources…). The major features of this updated and extended model are presented together with validation comparisons, examples of applications and future directions.

A comprehensive detailed kinetic mechanism for the simulation of transportation fuels

KAUST Repository

Mehl, Marco

2017-02-27

This work presents a recently compiled comprehensive model for transportations fuels resulting from the collaboration of three research groups: LLNL, NUI Galway and KAUST. In the past 5 years new fundamental calculations led to significant improvements in the fidelity of detailed kinetic models of important surrogate components (e.g. n-heptane, iso-octane, toluene…) improving predictions of the combustion behavior of pure components and mixtures. By extending the newly adopted reaction rate rules, mechanisms for components that were not included in the previous LLNL gasoline and diesel surrogate mechanisms were developed (e.g. polyalkylated aromatics, cycloalkanes, components from bio-logical sources…). The major features of this updated and extended model are presented together with validation comparisons, examples of applications and future directions.

Computational analysis of interfacial attachment kinetics and transport phenomena during liquid phase epitaxy of mercury cadmium telluride

Energy Technology Data Exchange (ETDEWEB)

Rasin, Igal; Brandon, Simon [Dept. of Chemical Engineering, Technion, Haifa 32000 (Israel); Ben Dov, Anne; Grimberg, Ilana; Klin, Olga; Weiss, Eliezer [SCD-Semi-Conductor Devices, P.O. Box 2250/99, Haifa 31021 (Israel)

2010-07-01

Deposition of mercury cadmium telluride (MCT) thin films, on lattice matched cadmium zinc telluride substrates, is often achieved via Liquid Phase Epitaxy (LPE). The yield and quality of these films, required for the production of infrared detector devices, is to a large extent limited by lack of knowledge regarding details of physical phenomena underlying the deposition process. Improving the understanding of these phenomena and their impact on the quality of the resultant films is therefore an important goal which can be achieved through relevant computational and/or experimental studies. We present a combined computational and experimental effort aimed at elucidating physical phenomena underlying the LPE of MCT via a slider growth process. The focus of the presentation will be results generated by a time-dependent three-dimensional model of mass transport, fluid flow, and interfacial attachment kinetics, which we have developed and applied in the analysis of this LPE process. These results, combined with experimental analyses, lead to an improved understanding of the role of different transport and kinetic phenomena underlying this growth process.

Chancellor Water Colloids: Characterization and Radionuclide Associated Transport

Energy Technology Data Exchange (ETDEWEB)

Reimus, Paul William [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Boukhalfa, Hakim [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2014-09-26

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

Kinetic modeling of antimony(III) oxidation and sorption in soils.

Science.gov (United States)

Cai, Yongbing; Mi, Yuting; Zhang, Hua

2016-10-05

Kinetic batch and saturated column experiments were performed to study the oxidation, adsorption and transport of Sb(III) in two soils with contrasting properties. Kinetic and column experiment results clearly demonstrated the extensive oxidation of Sb(III) in soils, and this can in return influence the adsorption and transport of Sb. Both sorption capacity and kinetic oxidation rate were much higher in calcareous Huanjiang soil than in acid red Yingtan soil. The results indicate that soil serve as a catalyst in promoting oxidation of Sb(III) even under anaerobic conditions. A PHREEQC model with kinetic formulations was developed to simulate the oxidation, sorption and transport of Sb(III) in soils. The model successfully described Sb(III) oxidation and sorption data in kinetic batch experiment. It was less successful in simulating the reactive transport of Sb(III) in soil columns. Additional processes such as colloid facilitated transport need to be quantified and considered in the model. Copyright © 2016 Elsevier B.V. All rights reserved.

Visualization of root water uptake: quantification of deuterated water transport in roots using neutron radiography and numerical modeling.

Science.gov (United States)

Zarebanadkouki, Mohsen; Kroener, Eva; Kaestner, Anders; Carminati, Andrea

2014-10-01

Our understanding of soil and plant water relations is limited by the lack of experimental methods to measure water fluxes in soil and plants. Here, we describe a new method to noninvasively quantify water fluxes in roots. To this end, neutron radiography was used to trace the transport of deuterated water (D2O) into roots. The results showed that (1) the radial transport of D2O from soil to the roots depended similarly on diffusive and convective transport and (2) the axial transport of D2O along the root xylem was largely dominated by convection. To quantify the convective fluxes from the radiographs, we introduced a convection-diffusion model to simulate the D2O transport in roots. The model takes into account different pathways of water across the root tissue, the endodermis as a layer with distinct transport properties, and the axial transport of D2O in the xylem. The diffusion coefficients of the root tissues were inversely estimated by simulating the experiments at night under the assumption that the convective fluxes were negligible. Inverse modeling of the experiment at day gave the profile of water fluxes into the roots. For a 24-d-old lupine (Lupinus albus) grown in a soil with uniform water content, root water uptake was higher in the proximal parts of lateral roots and decreased toward the distal parts. The method allows the quantification of the root properties and the regions of root water uptake along the root systems. © 2014 American Society of Plant Biologists. All Rights Reserved.

The Effect of Morphaction on the Kinetics of Indol-3yl-Acetic Acid-2-14C Transport in Zea Mays L. Coleoptile Segments

DEFF Research Database (Denmark)

Naqvi, S. M.

1972-01-01

This paper elucidates the effects of chloroflurenol (morphactin, IT 3456) treatment on the kinetics of 14C-IAA transport through Zea mays L. (cv. Orla-266) coleoptile segments. Maximum inhibition of transport was achieved when chloroflurenol remained in contact with the tissue segments for at least...

Impact of carbonation on water transport properties of cement-based materials

International Nuclear Information System (INIS)

Auroy, M.; Poyet, S.; Le Bescop, P.; Torrenti, J.M.

2015-01-01

Cement-based materials would be commonly used for nuclear waste management and, particularly for geological disposal vaults as well as containers in France. Under service conditions, the structures would be subjected to simultaneous drying and carbonation. Carbonation relates to the reaction between CO 2 and the hydrated cement phases (mainly portlandite and C-S-H). It induces mineralogical and microstructural changes (due to hydrates dissolution and calcium carbonate precipitation). It results in transport properties modifications, which can have important consequences on the durability of reinforced concrete structures. Concrete durability is greatly influenced by water: water is necessary for chemical reactions to occur and significantly impacts transport. The evaluation of the unsaturated water transport properties in carbonated materials is then an important issue. That is the aim of this study. A program has been established to assess the water transport properties in carbonated materials. In this context, four mature hardened cement pastes (CEM I, CEM III/A, CEM V/A according to European standards and a Low-pH blend) are carbonated. Accelerated carbonation tests are performed in a specific device, controlling environmental conditions: (i) CO 2 content of 3%, to ensure representativeness of the mineralogical evolution compared to natural carbonation and (ii) 25 C. degrees and 55% RH, to optimize carbonation rate. After carbonation, the data needed to describe water transport are evaluated in the framework of simplified approach. Three physical parameters are required: (1) the concrete porosity, (2) the water retention curve and, (3) the effective permeability. The obtained results allow creating link between water transport properties of non-carbonated materials to carbonated ones. They also provide a better understanding of the effect of carbonation on water transport in cementitious materials and thus, complement literature data. (authors)

Transport behavior of water molecules through two-dimensional nanopores

International Nuclear Information System (INIS)

Zhu, Chongqin; Li, Hui; Meng, Sheng

2014-01-01

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

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

DEFF Research Database (Denmark)

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

2000-01-01

those of tight junction and interspace basement membrane by convection-diffusion. With solute permeability of paracellular pathway large relative to paracellular water flow, the paracellular flux ratio of the solute (influx/outflux) is small (2-4) in agreement with experiments. The virtual solute......A mathematical model of an absorbing leaky epithelium is developed for analysis of solute coupled water transport. The non-charged driving solute diffuses into cells and is pumped from cells into the lateral intercellular space (lis). All membranes contain water channels with the solute passing...... increases with hydraulic conductance of the pathway carrying water from mucosal solution into lis. Uphill water transport is accomplished, but with high hydraulic conductance of cell membranes strength of transport is obscured by water flow through cells. Anomalous solvent drag occurs when back flux...

Precipitation of metals in produced water : influence on contaminant transport and toxicity

International Nuclear Information System (INIS)

Azetsu-Scott, K.; Wohlgeschaffen, G.; Yeats, P.; Dalziel, J.; Niven, S.; Lee, K.

2006-01-01

Produced water contains a number of compounds of environmental concern and is the largest volume waste stream from oil and gas production activities. Recent studies have shown that chemicals dissolved in waste water from oil platforms stunted the growth of North Sea cod and affected their breeding patterns. Scientific research is needed to identify the impact of produced water discharges on the environment as well as to identify acceptable disposal limits for produced water. This presentation provided details of a study to characterize produced water discharged within the Atlantic regions of Canada. The study included dose response biological effect studies; research on processes controlling the transport and transformation of contaminants associated with produced water discharges and the development of risk assessment models. The sample location for the study was a site near Sable Island off the coast of Nova Scotia. Chemical analysis of the produced water was conducted as well as toxicity tests. Other tests included a time-series particulate matter sedimentation test; time-series metal and toxicity analysis; time-series change in metal precipitates tests and a produced water/seawater layering experiment. Dissolved and particulate fractions were presented, and the relationship between toxicity and particulate concentrations was examined. Results of the study suggested that produced water contaminants are variable over spatial and temporal scales due to source variations and changes in discharge rates. Chemical changes occur within 24 hours of produced water being mixed with seawater and facilitate contaminant partitioning between the surface micro layer, water column and sediments. Changes in the toxicity of the produced water are correlated with the partitioning of chemical components. The impact zone may be influenced by chemical kinetics that control the distribution of potential toxic metals. Further research is needed to investigate the effects of low level

Fundamental kinetics and innovative applications of nonequilibrium atomic vibration in thermal energy transport and conversion

Science.gov (United States)

Shin, Seungha

All energy conversion inefficiencies begin with emission of resonant atomic motions, e.g., vibrations, and are declared as waste heat once these motions thermalize to equilibrium. The nonequilibrium energy occupancy of the vibrational modes can be targeted as a harvestable, low entropy energy source for direct conversion to electric energy. Since the lifetime of these resonant vibrations is short, special nanostructures are required with the appropriate tuning of the kinetics. These in turn require multiscale, multiphysics treatments. Atomic vibration is described with quasiparticle phonon in solid, and the optical phonon emission is dominant relaxation channel in semiconductors. These optical modes become over-occupied when their emission rate becomes larger than their decay rate, thus hindering energy relaxation and transport in devices. Effective removal of these phonons by drifting electrons is investigated by manipulating the electron distribution to have higher population in the low-energy states, thus allowing favorable phonon absorption. This is done through introduction, design and analysis of a heterobarrier conducting current, where the band gap is controlled by alloying, thus creating a spatial variation which is abrupt followed by a linear gradient (to ensure directed current). Self-consistent ensemble Monte Carlo simulations based on interaction kinetics between electron and phonon show that up to 19% of the phonon energy is converted to electric potential with an optimized GaAs/AlxGa1-xAs barrier structure over a range of current and electron densities, and this system is also verified through statistical entropy analysis. This direct energy conversion improves the device performance with lower operation temperature and enhances overall energy conversion efficiency. Through this study, the paradigm for harvesting the resonant atomic vibration is proposed, reversing the general role of phonon as only causing electric potential drop. Fundamentals

Kinetic stability of the dysprosium(3) complex with tetraazaporphine in acetic acid-water and acetic acid-methanol mixtures

International Nuclear Information System (INIS)

Khelevina, O.G.; Vojnov, A.A.

1999-01-01

Water-soluble dysprosium tetraazaporphine with acetylacetonate-ion as extraligand is synthesized for the first time. Its kinetic stability in acetic acid solutions is investigated. It is shown that the complex is dissociated with formation of free tetraazaporphine. Kinetic parameters of dissociation reaction are determined [ru

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

Science.gov (United States)

Benlloch, Manuel; Benlloch-González, María

2016-06-01

16-day-old sunflower (Helianthus annuus L.) plants were subjected to deficit irrigation for 12 days. Following this period, plants were rehydrated for 2 days to study plant responses to post-stress recovery. The moderate water stress treatment applied reduced growth in all plant organs and the accumulation of K(+) in the shoot. After the rehydration period, the stem recovered its growth and reached a similar length to the control, an effect which was not observed in either root or leaves. Moreover, plant rehydration after water stress favored the accumulation of K(+) in the apical zone of the stem and expanding leaves. In the roots of plants under water stress, watering to field capacity, once the plants were de- topped, rapidly favored K(+) and water transport in the excised roots. This quick and short-lived response was not observed in roots of plants recovered from water stress for 2 days. These results suggest that the recovery of plant growth after water stress is related to coordinated water and K(+) transport from the root to the apical zone of the ​​stem and expanding leaves. This stimulation of K(+) transport in the root and its accumulation in the cells of the growing zones of the ​​stem must be one of the first responses induced in the plant during water stress recovery. Copyright © 2016 Elsevier GmbH. All rights reserved.

Geochemical modelling of worst-case leakage scenarios at potential CO2-storage sites - CO2 and saline water contamination of drinking water aquifers

Science.gov (United States)

Szabó, Zsuzsanna; Edit Gál, Nóra; Kun, Éva; Szőcs, Teodóra; Falus, György

2017-04-01

Carbon Capture and Storage is a transitional technology to reduce greenhouse gas emissions and to mitigate climate change. Following the implementation and enforcement of the 2009/31/EC Directive in the Hungarian legislation, the Geological and Geophysical Institute of Hungary is required to evaluate the potential CO2 geological storage structures of the country. Basic assessment of these saline water formations has been already performed and the present goal is to extend the studies to the whole of the storage complex and consider the protection of fresh water aquifers of the neighbouring area even in unlikely scenarios when CO2 injection has a much more regional effect than planned. In this work, worst-case scenarios are modelled to understand the effects of CO2 or saline water leaks into drinking water aquifers. The dissolution of CO2 may significantly change the pH of fresh water which induces mineral dissolution and precipitation in the aquifer and therefore, changes in solution composition and even rock porosity. Mobilization of heavy metals may also be of concern. Brine migration from CO2 reservoir and replacement of fresh water in the shallower aquifer may happen due to pressure increase as a consequence of CO2 injection. The saline water causes changes in solution composition which may also induce mineral reactions. The modelling of the above scenarios has happened at several methodological levels such as equilibrium batch, kinetic batch and kinetic reactive transport simulations. All of these have been performed by PHREEQC using the PHREEQC.DAT thermodynamic database. Kinetic models use equations and kinetic rate parameters from the USGS report of Palandri and Kharaka (2004). Reactive transport modelling also considers estimated fluid flow and dispersivity of the studied formation. Further input parameters are the rock and the original ground water compositions of the aquifers and a range of gas-phase CO2 or brine replacement ratios. Worst-case scenarios

A kinetics database and scripts for PHREEQC

Science.gov (United States)

Hu, B.; Zhang, Y.; Teng, Y.; Zhu, C.

2017-12-01

Kinetics of geochemical reactions has been increasingly used in numerical models to simulate coupled flow, mass transport, and chemical reactions. However, the kinetic data are scattered in the literature. To assemble a kinetic dataset for a modeling project is an intimidating task for most. In order to facilitate the application of kinetics in geochemical modeling, we assembled kinetics parameters into a database for the geochemical simulation program, PHREEQC (version 3.0). Kinetics data were collected from the literature. Our database includes kinetic data for over 70 minerals. The rate equations are also programmed into scripts with the Basic language. Using the new kinetic database, we simulated reaction path during the albite dissolution process using various rate equations in the literature. The simulation results with three different rate equations gave difference reaction paths at different time scale. Another application involves a coupled reactive transport model simulating the advancement of an acid plume in an acid mine drainage site associated with Bear Creek Uranium tailings pond. Geochemical reactions including calcite, gypsum, and illite were simulated with PHREEQC using the new kinetic database. The simulation results successfully demonstrated the utility of new kinetic database.

The uptake of NO3-, NO2-, and NH4+ by intact wheat (Triticum aestivum) seedlings. I. Induction and kinetics of transport systems

Science.gov (United States)

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.

Relative transport of water (H2O) and tritiated water (HTO) across cellulose acetate (CA) membranes

International Nuclear Information System (INIS)

Prabhakar, S.; Misra, B.M.; Ramani, M.P.S.

1986-01-01

The relative transport characteristics of water (H 2 O) and tritiated water (HTO) were evaluated through cellulose acetate membranes under osmosis, reverse osmosis and pervaporation. The results indicate that the relative transport is independent of the process. The anamolous observations under osmotic conditions are explained. (orig.)

Hydrolysis kinetics of tulip tree xylan in hot compressed water.

Science.gov (United States)

Yoon, Junho; Lee, Hun Wook; Sim, Seungjae; Myint, Aye Aye; Park, Hee Jeong; Lee, Youn-Woo

2016-08-01

Lignocellulosic biomass, a promising renewable resource, can be converted into numerous valuable chemicals post enzymatic saccharification. However, the efficacy of enzymatic saccharification of lignocellulosic biomass is low; therefore, pretreatment is necessary to improve the efficiency. Here, a kinetic analysis was carried out on xylan hydrolysis, after hot compressed water pretreatment of the lignocellulosic biomass conducted at 180-220°C for 5-30min, and on subsequent xylooligosaccharide hydrolysis. The weight ratio of fast-reacting xylan to slow-reacting xylan was 5.25 in tulip tree. Our kinetic results were applied to three different reaction systems to improve the pretreatment efficiency. We found that semi-continuous reactor is promising. Lower reaction temperatures and shorter space times in semi-continuous reactor are recommended for improving xylan conversion and xylooligosaccharide yield. In the theoretical calculation, 95% of xylooligosaccharide yield and xylan conversion were achieved simultaneously with high selectivity (desired product/undesired product) of 100 or more. Copyright © 2016. Published by Elsevier Ltd.

Present status on numerical algorithms and benchmark tests for point kinetics and quasi-static approximate kinetics

International Nuclear Information System (INIS)

Ise, Takeharu

1976-12-01

Review studies have been made on algorithms of numerical analysis and benchmark tests on point kinetics and quasistatic approximate kinetics computer codes to perform efficiently benchmark tests on space-dependent neutron kinetics codes. Point kinetics methods have now been improved since they can be directly applied to the factorization procedures. Methods based on Pade rational function give numerically stable solutions and methods on matrix-splitting are interested in the fact that they are applicable to the direct integration methods. An improved quasistatic (IQ) approximation is the best and the most practical method; it is numerically shown that the IQ method has a high stability and precision and the computation time which is about one tenth of that of the direct method. IQ method is applicable to thermal reactors as well as fast reactors and especially fitted for fast reactors to which many time steps are necessary. Two-dimensional diffusion kinetics codes are most practicable though there exist also three-dimensional diffusion kinetics code as well as two-dimensional transport kinetics code. On developing a space-dependent kinetics code, in any case, it is desirable to improve the method so as to have a high computing speed for solving static diffusion and transport equations. (auth.)

Transport of citrate-coated silver nanoparticles in unsaturated sand

Energy Technology Data Exchange (ETDEWEB)

Kumahor, Samuel K., E-mail: samuel.kumahor@ufz.de [Department of Soil Physics, Helmholtz Centre for Environmental Research–UFZ, Theodor-Lieser-Strasse 4, 06120 Halle-Saale (Germany); Hron, Pavel, E-mail: pavel.hron@iwr.uni-heidelberg.de [Interdisciplinary Center for Scientific Computing, University of Heidelberg, Im Neuenheimer Feld 368, Raum 422, 69120 Heidelberg (Germany); Metreveli, George, E-mail: metreveli@uni-landau.de [Universität Koblenz-Landau, Institute for Environmental Sciences, Group of Environmental and Soil Chemistry, Fortstr. 7, D-76829 Landau (Germany); Schaumann, Gabriele E., E-mail: schaumann@uni-landau.de [Universität Koblenz-Landau, Institute for Environmental Sciences, Group of Environmental and Soil Chemistry, Fortstr. 7, D-76829 Landau (Germany); Vogel, Hans-Jörg, E-mail: hans-joerg.vogel@ufz.de [Department of Soil Physics, Helmholtz Centre for Environmental Research–UFZ, Theodor-Lieser-Strasse 4, 06120 Halle-Saale (Germany); Institute of Soil Science and Plant Nutrition, Martin-Luther-University Halle-Wittenberg, Von-Seckendorff-Platz 3, 06120 Halle-Saale (Germany)

2015-12-01

Chemical factors and physical constraints lead to coupled effects during particle transport in unsaturated porous media. Studies on unsaturated transport as typical for soils are currently scarce. In unsaturated porous media, particle mobility is determined by the existence of an air–water interface in addition to a solid–water interface. To this end, we measured breakthrough curves and retention profiles of citrate-coated Ag nanoparticles in unsaturated sand at two pH values (5 and 9) and three different flow rates corresponding to different water contents with 1 mM KNO{sub 3} as background electrolyte. The classical DLVO theory suggests unfavorable deposition conditions at the air–water and solid–water interfaces. The breakthrough curves indicate modification in curve shapes and retardation of nanoparticles compared to inert solute. Retention profiles show sensitivity to flow rate and pH and this ranged from almost no retention for the highest flow rate at pH = 9 to almost complete retention for the lowest flow rate at pH = 5. Modeling of the breakthrough curves, thus, required coupling two parallel processes: a kinetically controlled attachment process far from equilibrium, responsible for the shape modification, and an equilibrium sorption, responsible for particle retardation. The non-equilibrium process and equilibrium sorption are suggested to relate to the solid–water and air–water interfaces, respectively. This is supported by the DLVO model extended for hydrophobic interactions which suggests reversible attachment, characterized by a secondary minimum (depth 3–5 kT) and a repulsive barrier at the air–water interface. In contrast, the solid–water interface is characterized by a significant repulsive barrier and the absence of a secondary minimum suggesting kinetically controlled and non-equilibrium interaction. This study provides new insights into particle transport in unsaturated porous media and offers a model concept representing the

Simulation of tungsten erosion and transport near the divertor plate during ELMs by a kinetic method

Energy Technology Data Exchange (ETDEWEB)

Sun, Zhenyue; Sang, Chaofeng; Hu, Wanpeng; Du, Hailong; Wang, Dezhen, E-mail: wangdez@dlut.edu.cn

2016-11-01

Highlights: • A kinetic method is used to simulate tungsten erosion and transport during ELMs. • The erosion of tungsten plate by different species (deuterium and carbon ions) is shown. • The charge states of sputtered tungsten particles are given statistically. - Abstract: Tungsten (W) is fore seen as one of the most important candidates of the plasma-facing materials (PFM) for future fusion devices, due to its beneficial properties. However, the high-Z characteristic makes it a potential contamination to the core plasma. Divertor is the main component that directly contacts the plasma, therefore, it is very important to understand the erosion of W divertor plate and the corresponding transport of the eroded wall impurity, especially during edge localized modes (ELMs). In this work, a one-dimension-in-space and three-dimensions-in-velocity particle-in-cell code (EPPIC1D) is used to simulate the erosion of W divertor plate, and the transport of eroded W impurity near the divertor plate is studied by a Monte Carlo code. Benefiting from the kinetic simulation, energy/particle flux to the target could be calculated accurately, and the erosion of W plate by different species is simulated during ELMs. The trajectories and distributions of eroded W impurity particles are demonstrated, which shows us a basic idea of how these impurity particles are generated and transported. It is found that C{sup 3+} plays a dominated role on the erosion of W divertor plate during ELMs even when its concentration is low. Both W atoms and ions distribute mainly near the divertor plate, indicating only a very small fraction of W impurity particles could escape from divertor region and penetrate into the core plasma.

Water absorption and biodegradation kinetics of highly filled EOC-FS biocomposites

Science.gov (United States)

Zykova, A. K.; Pantyukhov, P. V.; Platov, Yu. T.; Bobojonova, G. A.; Ramos, C. Chaverri; Popov, A. A.

2017-12-01

The paper analyzes the water absorption and biodegradation kinetics in highly filled biocomposites based on ethylene-octene copolymer (EOC) and oil flax straw (FS). It is shown that adding the filler to EOC increases the water absorption from 0 to 22%. The tendency can be explained both by the low interfacial adhesion of EOC to FS and by the hydrophilic nature of the filler. According to biodegradation tests (10 months), the mass of pure EOC remains unchanged, suggesting that it fails to biodegrade in the environment. Increasing the filler content increases the weight loss of the composites and the degree of microbiological contamination (fungi filaments, bacteria) as evidenced by optical microscopy.

Recent Advances in Understanding of Kinetic Interplay Between Phase II Metabolism and Efflux Transport.

Science.gov (United States)

Wang, Shuai; Xing, Huijie; Zhao, Mengjing; Lu, Danyi; Li, Zhijie; Dong, Dong; Wu, Baojian

2016-01-01

Mechanistic understanding of the metabolism-transport interplay assumes great importance in pharmaceutical fields because the knowledge can help to interpret drug/xenobiotic metabolism and disposition studies as well as the drug-drug interactions in vivo. About 10 years ago, it started to recognize that cellular phase II metabolism is strongly influenced by the excretion (efflux transport) of generated metabolites, a kinetic phenomenon termed "phase II metabolism-transport interplay". This interplay is believed to have significant effects on the pharmacokinetics (bioavailability) of drugs/chemicals undergoing phase II metabolism. In this article, we review the studies investigating the phase II metabolism-transport interplay using cell models, perfused rat intestine, and intact rats. The potential confounding factors in exploring such interplay is also summarized. Moreover, the mechanism underlying the phase II metabolism-transport interplay is discussed. Various studies with engineered cells and rodents have demonstrated that there is an interaction (interplay) between phase II enzymes and efflux transporters. This type of interplay mainly refers to the dependence of phase II (conjugative) metabolism on the activities of efflux transporters. In general, inhibiting efflux transporters or decreasing their expression causes the reductions in metabolite excretion, apparent excretion clearance (CLapp) and total metabolism (fmet), as well as an increase in the intracellular level of metabolite (Ci). The deconjugation mediated by hydrolase (acting as a "bridge") is essential for the interplay to play out based on pharmacokinetic modeling/simulations, cell and animal studies. The hydrolases bridge the two processes (i.e., metabolite formation and excretion) and enable the interplay thereof (a bridging effect). Without the bridge, metabolite formation is independent on its downstream process excretion, thus impact of metabolite excretion on its formation is impossible

New methods For Modeling Transport Of Water And Solutes In Soils

DEFF Research Database (Denmark)

Møldrup, Per

Recent models for water and solute transport in unsaturated soils have been mechanistically based but numerically very involved. This dissertation concerns the development of mechanistically-based but numerically simple models for calculating and analyzing transport of water and solutes in soil...

Nonlinear generation of kinetic-scale waves by magnetohydrodynamic Alfvén waves and nonlocal spectral transport in the solar wind

Energy Technology Data Exchange (ETDEWEB)

Zhao, J. S.; Wu, D. J. [Purple Mountain Observatory, Chinese Academy of Sciences, Nanjing (China); Voitenko, Y.; De Keyser, J., E-mail: js_zhao@pmo.ac.cn [Solar-Terrestrial Centre of Excellence, Space Physics Division, Belgian Institute for Space Aeronomy, Ringlaan-3-Avenue Circulaire, B-1180 Brussels (Belgium)

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.

Kinetics of the reaction between H· and superheated water probed with muonium

International Nuclear Information System (INIS)

Alcorn, C.; Brodovitch, J.-C.; Ghandi, K.; Kennedy, A.; Percival, P.W.; Smith, M.

2011-01-01

Safe operation of a supercritical water cooled reactor requires knowledge of the reaction kinetics of transient species formed by the radiolysis of water in the temperature range 300-650"oC. By using a light isotope of the H·atom, it is possible to study its chemistry in water over this range of temperatures. Arguably, the most important reaction to study is that of the H·atom with the bulk solvent. This reaction could provide an in situ source of H_2 gas, which is added to CANDU reactors to suppress oxidative corrosion. The work described here concerns studies of the reaction of muonium with H_2O and D_2O at temperatures up to 450"oC.

Interannual Variability in the Meridional Transport of Water Vapor

Science.gov (United States)

Cohen, Judah L.; Salstein, David A.; Rosen, Richard D.

2000-01-01

The zonal-mean meridional transport of water vapor across the globe is evaluated using the National Centers for Environmental Prediction-National Center for Atmospheric Research (NCEP-NCAR) reanalysis for 1948-97. The shape of the meridional profile of the climatological mean transport closely resembles that of previous mean climate descriptions, but values tend to be notably larger than in climatologies derived from radiosonde-only-based analyses. The unprecedented length of the NCEP-NCAR dataset invites a focus on interannual variations in the zonal-mean moisture transport, and these results for northern winter are highlighted here. Although interannual variability in the transport is typically small at most latitudes, a significant ENSO signal is present, marked by a strengthening of water vapor transports over much of the winter hemisphere during warm events. Because of an increase in tropical sea surface temperatures and in the frequency of warm events relative to cold events in the latter half of the 50-yr record, this interannual signal projects onto an overall trend toward enhanced meridional moisture transports in the global hydrological cycle.

Kinetic model for the radical degradation of tri-halonitromethane disinfection byproducts in water

International Nuclear Information System (INIS)

Mezyk, Stephen P.; Mincher, Bruce J.; Cooper, William J.; Kirkham Cole, S.; Fox, Robert V.; Gardinali, Piero R.

2012-01-01

The halonitromethanes (HNMs) are byproducts of the ozonation and chlorine/chloramine treatment of drinking waters. Although typically occurring at low concentrations HNMs have high cytotoxicity and mutagenicity, and may therefore represent a significant human health hazard. In this study, we have investigated the radical based mineralization of fully-halogenated HNMs in water using the congeners bromodichloronitromethane and chlorodibromonitromethane. We have combined absolute reaction rate constants for their reactions with the hydroxyl radical and the hydrated electron as measured by electron pulse radiolysis and analytical measurements of stable product concentrations obtained by 60 Co steady-state radiolysis with a kinetic computer model that includes water radiolysis reactions and halide/nitrogen oxide radical chemistry to fully elucidate the reaction pathways of these HNMs. These results are compared to our previous similar study of the fully chlorinated HNM chloropicrin. The full optimized computer model, suitable for predicting the behavior of this class of compounds in irradiated drinking water, is provided. - Highlights: ► Radical-based mineralization of aqueous halonitromethane disinfection byproducts. ► Constructed kinetic computer model for tri-halogenated halonitromethane removal. ► Model predicted that superoxide reaction is unimportant for halonitromethanes. ► Measured superoxide reaction with chloropicrin was negligibly slow, 4 M −1 s −1 . ► Determined that superoxide reaction with nitrate also insignificant at ∼10 4 M −1 s −1 .

Aqueous photochemical degradation of hydroxylated PAHs: Kinetics, pathways, and multivariate effects of main water constituents

Energy Technology Data Exchange (ETDEWEB)

Ge, Linke; Na, Guangshui [Key Laboratory for Ecological Environment in Coastal Areas (SOA), National Marine Environmental Monitoring Center, Dalian 116023 (China); Chen, Chang-Er [Lancaster Environment Centre, Lancaster University, Lancaster LA1 4YQ (United Kingdom); Li, Jun [Key Laboratory for Ecological Environment in Coastal Areas (SOA), National Marine Environmental Monitoring Center, Dalian 116023 (China); College of Marine Science, Shanghai Ocean University, Shanghai 201306 (China); Ju, Maowei; Wang, Ying; Li, Kai [Key Laboratory for Ecological Environment in Coastal Areas (SOA), National Marine Environmental Monitoring Center, Dalian 116023 (China); Zhang, Peng, E-mail: pzhang@nmemc.org.cn [Key Laboratory for Ecological Environment in Coastal Areas (SOA), National Marine Environmental Monitoring Center, Dalian 116023 (China); Yao, Ziwei [Key Laboratory for Ecological Environment in Coastal Areas (SOA), National Marine Environmental Monitoring Center, Dalian 116023 (China)

2016-03-15

Hydroxylated polycyclic aromatic hydrocarbons (OH-PAHs) are contaminants of emerging concern in the aquatic environment, so it is of great significance to understand their environmental transformation and toxicity. This study investigated the aqueous photochemical behavior of four OH-PAHs, 9-Hydroxyfluorene (9-OHFL), 2-Hydroxyfluorene, 9-Hydroxyphenanthrene and 1-Hydroxypyrene, under simulated sunlight irradiation (λ > 290 nm). It was observed that their photodegradation followed the pseudo-first-order kinetics. Based on the determined quantum yields, their calculated solar apparent photodegradation half-lives in surface waters at 45° N latitude ranged from 0.4 min for 9-Hydroxyphenanthrene to 7.5 × 10{sup 3} min for 9-OHFL, indicating that the OH-PAHs would intrinsically photodegrade fast in sunlit surface waters. Furthermore, 9-OHFL as an example was found to undergo direct photolysis, and self-sensitized photooxidation via ·OH rather than {sup 1}O{sub 2} in pure water. The potential photoreactions involved photoinduced hydroxylation, dehydrogenation and isomerization based on product identification by GC–MS/MS. 9-OHFL photodegraded slower in natural waters than in pure water, which was attributed to the integrative effects of the most photoreactive species, such as Fe(III), NO{sub 3}{sup −}, Cl{sup −} and humic acid. The photomodified toxicity was further examined using Vibrio fischeri, and it was found that the toxicity of photolyzed 9-OHFL did not decrease significantly (p > 0.05) either in pure water or in seawater, implying the comparable or higher toxicity of some intermediates. These results are important for assessing the fate and risks of OH-PAHs in surface waters. - Graphical abstract: Aqueous photochemical behavior of 4 hydroxylated PAHs is first reported on revealing the kinetics, mechanisms, toxicity, and multivariate effects of water constituents. - Highlights: • It is first reported on aqueous photochemical behavior of 4 hydroxylated

Impact of Interfacial Water Transport in PEMFCs on Cell Performance

International Nuclear Information System (INIS)

Kotaka, Toshikazu; Tabuchi, Yuichiro; Pasaogullari, Ugur; Wang, Chao-Yang

2014-01-01

Coupled cell performance evaluation, liquid water visualization by neutron radiography (NRG) and numerical modeling based on multiphase mixture (M2) model were performed with three types of GDMs: Micro Porous Layer (MPL) free; Carbon Paper (CP) with MPL; and CP free to investigate interfacial liquid water transport phenomena in PEMFCs and its effect on cell performance. The visualized results of MPL free GDM with different wettability of bi-polar plates (BPPs) showed hydrophilic BPP improved liquid water transport at the interface between CP and channel. Numerical modeling results indicated that this difference with BPP wettability was caused by the liquid water coverage difference on CP surface. Thus, controlling liquid water coverage is the one of the key strategies for improving cell performance. Additionally, liquid water distributions across the cell for three types of GDMs were compared and significant difference in liquid water content at the interface between Catalyst Layer (CL) and GDM was observed. Numerical modeling suggests this difference is influenced by the gap at the interface and that the MPL could minimize this effect. The CP free cell (i.e. only MPL) showed the best performance and the lowest liquid water content. There were multiple impacts of interfacial liquid water transport both at CL-GDM and GDM-channel interfaces. High hydrophobicity and fine structure of MPLs contributed to enhanced liquid water transport at GDM-channel interface and as a result reduced the liquid water coverage. At the same time, MPL improves contact at the CL-GDM interface in the same manner as seen in CP with MPL case. Thus, the CP free concept showed the best performance. It is suggested that the design of the interface between each component of the PEMFC has a great impact on cell performance and plays a significant role in achievement of high current density operation and cost reduction in FCEVs

Kinetic Theory of the Inner Magnetospheric Plasma

CERN Document Server

Khazanov, George V

2011-01-01

This book provides a broad introduction to the kinetic theory of space plasma physics with the major focus on the inner magnetospheric plasma. It is designed to provide a comprehensive description of the different kinds of transport equations for both plasma particles and waves with an emphasis on the applicability and limitations of each set of equations. The major topics are: Kinetic Theory of Superthermal Electrons, Kinetic Foundation of the Hydrodynamic Description of Space Plasmas (including wave-particle interaction processes), and Kinetic Theory of the Terrestrial Ring Current. Distinguishable features of this book are the analytical solutions of simplified transport equations. Approximate analytic solutions of transport phenomena are very useful because they help us gain physical insight into how the system responds to varying sources of mass, momentum and energy and also to various external boundary conditions. They also provide us a convenient method to test the validity of complicated numerical mod...

Investigating water transport through the xylem network in vascular plants.

Science.gov (United States)

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

2014-04-01

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

Induction of nitrate transport in maize roots, and kinetics of influx, measured with nitrogen-13

International Nuclear Information System (INIS)

Hole, D.J.; Drew, M.C.; Emran, A.M.; Fares, Y.

1990-01-01

Unlike phosphate or potassium transport, uptake of nitrate by roots is induced, in part, by contact with the substrate ion. Plasmalemma influx of 13 N-labeled nitrate in maize roots was studied in relation to induction of the uptake system, and the influence of short-term N starvation. Maize (Zea mays) roots not previously exposed to nitrate had a constitutive transport system (state 1), but influx increased 250% during six hours of contact with 100 micromolar nitrate, by which time the transport mechanism appeared to be fully synthesized (state 2). A three-day period of N starvation prior to induction and measurement of nitrate influx resulted in a greater capacity to transport nitrate than in unstarved controls, but this was fully expressed only if roots were kept in contact with nitrate for the six hours needed for full induction (state 2E). A kinetic analysis indicated a 160% increase in maximum influx in N-starved, induced roots with a small decrease in K m . The inducible component to nitrate influx was induced only by contact with nitrate. Full expression of the nitrate inducible transport system was dependent upon mRNA synthesis. An inhibitor of cytoplasmic protein synthesis (cycloheximide) eliminated the formation of the transport system while inhibition by chloramphenicol of mitochondrial- or plastid-coded protein synthesis had no effect. Poisoning of membrane-bound proteins effectively disabled both the constitutive and induced transport systems

Adsorption kinetics of c-Fos and c-Jun to air-water interfaces.

Science.gov (United States)

Del Boca, Maximiliano; Nobre, Thatyane Morimoto; Zaniquelli, Maria Elisabete Darbello; Maggio, Bruno; Borioli, Graciela A

2007-11-01

The kinetics of adsorption to air-water interfaces of the biomembrane active transcription factors c-Fos, c-Jun and their mixtures is investigated. The adsorption process shows three distinct stages: a lag time, a fast pseudo zero-order stage, and a halting stage. The initial stage determines the course of the process, which is concentration dependent until the end of the fast stage. We show that c-Fos has faster adsorption kinetics than c-Jun over all three stages and that the interaction between both proteins is apparent in the adsorption profiles of the mixtures. Protein molecular reorganization at the interface determines the transition to the final adsorption stage of the pure proteins as well as that of the mixtures.

Ground-water solute transport modeling using a three-dimensional scaled model

International Nuclear Information System (INIS)

Crider, S.S.

1987-01-01

Scaled models are used extensively in current hydraulic research on sediment transport and solute dispersion in free surface flows (rivers, estuaries), but are neglected in current ground-water model research. Thus, an investigation was conducted to test the efficacy of a three-dimensional scaled model of solute transport in ground water. No previous results from such a model have been reported. Experiments performed on uniform scaled models indicated that some historical problems (e.g., construction and scaling difficulties; disproportionate capillary rise in model) were partly overcome by using simple model materials (sand, cement and water), by restricting model application to selective classes of problems, and by physically controlling the effect of the model capillary zone. Results from these tests were compared with mathematical models. Model scaling laws were derived for ground-water solute transport and used to build a three-dimensional scaled model of a ground-water tritium plume in a prototype aquifer on the Savannah River Plant near Aiken, South Carolina. Model results compared favorably with field data and with a numerical model. Scaled models are recommended as a useful additional tool for prediction of ground-water solute transport

41 CFR 302-10.5 - May I transport a mobile home over water?

Science.gov (United States)

2010-07-01

... transport a mobile home over water? Yes, you may transport a mobile home over water when both the points of... 41 Public Contracts and Property Management 4 2010-07-01 2010-07-01 false May I transport a mobile home over water? 302-10.5 Section 302-10.5 Public Contracts and Property Management Federal Travel...

On water transport in polymer electrolyte membranes during the passage of current

DEFF Research Database (Denmark)

Berning, Torsten

2011-01-01

This article discusses an approach to model the water transport in the membranes of PEM fuel cells during operation. Starting from a frequently utilized equation the various transport mechanisms are analyzed in detail. It is shown that the commonly used approach to simply balance the electro......-osmotic drag (EOD) with counter diffusion and/or hydraulic permeation is flawed, and that any net transport of water through the membrane is caused by diffusion. Depending on the effective drag the cathode side of the membrane may experience a lower hydration than the anode side. The effect of a water......-uptake layer on the net water transport will also be pictured. Finally, the effect of EOD is visualized using “Newton’s cradle”....

Water vapor and Gas Transport through Polymeric Membranes

NARCIS (Netherlands)

Metz, S.J.

2003-01-01

Water vapor transport through polymeric materials plays an important role in a large number of applications such as: food packaging, breathable clothing, roofing membranes, diapers, and the removal of water vapor from gas streams (e.g. dehydration of natural gas or the drying of compressed air).

Mathematical Model to Predict the Permeability of Water Transport in Concrete Structure

OpenAIRE

Solomon Ndubuisi Eluozo

2013-01-01

Mathematical model to predict the permeability of water transport in concrete has been established, the model is to monitor the rate of water transport in concrete structure. The process of this water transport is based on the constituent in the mixture of concrete. Permeability established a relation on the influence of the micropores on the constituent that made of concrete, the method of concrete placement determine the rate of permeability deposition in concrete structure, permeability es...

Tracer water transport and subgrid precipitation variation within atmospheric general circulation models

Science.gov (United States)

Koster, Randal D.; Eagleson, Peter S.; Broecker, Wallace S.

1988-03-01

A capability is developed for monitoring tracer water movement in the three-dimensional Goddard Institute for Space Science Atmospheric General Circulation Model (GCM). A typical experiment with the tracer water model follows water evaporating from selected grid squares and determines where this water first returns to the Earth's surface as precipitation or condensate, thereby providing information on the lateral scales of hydrological transport in the GCM. Through a comparison of model results with observations in nature, inferences can be drawn concerning real world water transport. Tests of the tracer water model include a comparison of simulated and observed vertically-integrated vapor flux fields and simulations of atomic tritium transport from the stratosphere to the oceans. The inter-annual variability of the tracer water model results is also examined.

Tracer water transport and subgrid precipitation variation within atmospheric general circulation models

Science.gov (United States)

Koster, Randal D.; Eagleson, Peter S.; Broecker, Wallace S.

1988-01-01

A capability is developed for monitoring tracer water movement in the three-dimensional Goddard Institute for Space Science Atmospheric General Circulation Model (GCM). A typical experiment with the tracer water model follows water evaporating from selected grid squares and determines where this water first returns to the Earth's surface as precipitation or condensate, thereby providing information on the lateral scales of hydrological transport in the GCM. Through a comparison of model results with observations in nature, inferences can be drawn concerning real world water transport. Tests of the tracer water model include a comparison of simulated and observed vertically-integrated vapor flux fields and simulations of atomic tritium transport from the stratosphere to the oceans. The inter-annual variability of the tracer water model results is also examined.

Thermodynamic stability and kinetic dissolution of perovskite in natural waters

International Nuclear Information System (INIS)

Nesbitt, H.W.; Bancroft, G.M.; Fyfe, W.S.; Karkhanis, S.; Melling, P.; Nishijima, A.

1981-01-01

Ringwood and coworkers have recently proposed using titanates and zirconates as hosts for nuclear waste in the Synroc B process. Three minerals are used as hosts: perovskite (CaTiO 3 ), Ba-hollandite (BaAl 2 Ti 6 O 16 ), and zirconolite (CaZrTi 2 O 7 ). The Synroc philosophy relies heavily on geological and geochemical observations in selecting stable host minerals. Although it has been recognized that the Synroc minerals are not thermodynamically compatible with siliceous rocks, the minerals are considered to be thermodynamically stable in the presence of water, and it has been reported that these minerals are kinetically stable under high-temperature (up to 900 0 C) hydrothermal conditions. Detailed thermodynamic calculations and leach tests have been performed which demonstrate: first, that perovskite is thermodynamically unstable in all known natural waters; and second, that pervoskite leaches at a significant rate even at 100 0 C. Hydrothermal leach tests have been made on natural and synthetic perovskite and perovskite analogues between 100 0 C and 300 0 C. Weight losses and solution concentrations were monitored. The results reported previously in the literature also show that perovskite is kinetically unstable in the presence of common silicates. Our results show that perovskite may be no more stable than siliceous glasses, such as rhyolite, which have been studied previously. Geologic evidence from common alkaline rocks also indicates that hollandite and zirconolite probably will not survive in common rock matrices

Proton transport facilitating water-oxidation: the role of second sphere ligands surrounding the catalytic metal cluster.

Science.gov (United States)

Bao, Han; Dilbeck, Preston L; Burnap, Robert L

2013-10-01

The ability of PSII to extract electrons from water, with molecular oxygen as a by-product, is a remarkable biochemical and evolutionary innovation. From an evolutionary perspective, the invention of PSII approximately 2.7 Ga led to the accelerated accumulation of biomass in the biosphere and the accumulation of oxygen in the atmosphere, a combination that allowed for the evolution of a much more complex and extensive biosphere than would otherwise have been possible. From the biochemical and enzymatic perspective, PSII is remarkable because of the thermodynamic and kinetic obstacles that needed to have been overcome to oxidize water as the ultimate photosynthetic electron donor. This article focuses on how proton release is an integral part of how these kinetic and thermodynamic obstacles have been overcome: the sequential removal of protons from the active site of H2O-oxidation facilitates the multistep oxidation of the substrate water at the Mn4CaOx, the catalytic heart of the H2O-oxidation reaction. As noted previously, the facilitated deprotonation of the Mn4CaOx cluster exerts a redox-leveling function preventing the accumulation of excess positive charge on the cluster, which might otherwise hinder the already energetically difficult oxidation of water. Using recent results, including the characteristics of site-directed mutants, the role of the second sphere of amino acid ligands and the associated network of water molecules surrounding the Mn4CaOx is discussed in relation to proton transport in other systems. In addition to the redox-leveling function, a trapping function is assigned to the proton release step occurring immediately prior to the dioxygen chemistry. This trapping appears to involve a yet-to-be clarified gating mechanism that facilitates to coordinated release of a proton from the neighborhood of the active site thereby insuring that the backward charge-recombination reaction does not out-compete the forward reaction of dioxygen chemistry

Adsorption analysis equilibria and kinetics

CERN Document Server

Do, Duong D

1998-01-01

This book covers topics of equilibria and kinetics of adsorption in porous media. Fundamental equilibria and kinetics are dealt with for homogeneous as well as heterogeneous particles. Five chapters of the book deal with equilibria and eight chapters deal with kinetics. Single component as well as multicomponent systems are discussed. In kinetics analysis, we deal with the various mass transport processes and their interactions inside a porous particle. Conventional approaches as well as the new approach using Maxwell-Stefan equations are presented. Various methods to measure diffusivity, such

Ecological aspects of water coal fuel transportation and application

Directory of Open Access Journals (Sweden)

Anna SHVORNIKOVA

2010-01-01

Full Text Available This paper deals with the aspects of influence of transportation process and burning of water coal fuel on an ecological condition of environment. Also mathematical dependences between coal ash level and power consumption for transportation are presented.

Ebullition, Plant-Mediated Transport, and Subsurface Horizontal Water Flow Dominate Methane Transport in an Arctic Sphagnum Bog

Science.gov (United States)

Wehr, R. A.; McCalley, C. K.; Logan, T. A.; Chanton, J.; Crill, P. M.; Rich, V. I.; Saleska, S. R.

2017-12-01

Emission of the greenhouse gas methane from wetlands is of prime concern in the prediction of climate change - especially emission associated with thawing permafrost, which may drive a positive feedback loop of emission and warming. In addition to the biochemistry of methane production and consumption, wetland methane emission depends critically on the transport mechanisms by which methane moves through and out of the ecosystem. We therefore developed a model of methane biochemistry and transport for a sphagnum bog representing an intermediate permafrost thaw stage in Stordalen Mire, Sweden. In order to simultaneously reproduce measured profiles of both the concentrations and isotopic compositions of both methane and carbon dioxide in the peat pore water (Fig. 1) - as well as the surface methane emission - it was necessary for the model to include ebullition, plant-mediated transport via aerenchyma, and subsurface horizontal water flow. Diffusion of gas through the pore water was relatively unimportant. As a result, 90% of the produced methane escaped the wetland rather than being consumed by methanotrophic organisms in the near-surface pore water. Our model provides a comprehensive picture of methane emission from this bog site by quantifying the vertical profiles of: acetoclastic methanogenesis, hydrogenotrophic methanogenesis, methane oxidation, aerobic respiration, ebullition, plant-mediated transport, subsurface horizontal water flow, and diffusion.

Kinetic modeling of microbially-driven redox chemistry of radionuclides in subsurface environments: Coupling transport, microbial metabolism and geochemistry

International Nuclear Information System (INIS)

Wang, Yifeng; Papenguth, Hans W.

2000-01-01

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

Kinetic modeling of microbially-driven redox chemistry of radionuclides in subsurface environments: Coupling transport, microbial metabolism and geochemistry

Energy Technology Data Exchange (ETDEWEB)

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.

Free chlorine and monochloramine inactivation kinetics of Aspergillus and Penicillium in drinking water.

Science.gov (United States)

Ma, Xiao; Bibby, Kyle

2017-09-01

Fungi are near-ubiquitous in potable water distribution systems, but the disinfection kinetics of commonly identified fungi are poorly studied. In the present study, laboratory scale experiments were conducted to evaluate the inactivation kinetics of Aspergillus fumigatus, Aspergillus versicolor, and Penicillium purpurogenum by free chlorine and monochloramine. The observed inactivation data were then fit to a delayed Chick-Watson model. Based on the model parameter estimation, the Ct values (integrated product of disinfectant concentration C and contact time t over defined time intervals) for 99.9% inactivation of the tested fungal strains ranged from 48.99 mg min/L to 194.7 mg min/L for free chlorine and from 90.33 mg min/L to 531.3 mg min/L for monochloramine. Fungal isolates from a drinking water system (Aspergillus versicolor and Penicillium purpurogenum) were more disinfection resistant than Aspergillus fumigatus type and clinical isolates. The required 99.9% inactivation Ct values for the tested fungal strains are higher than E. coli, a commonly monitored indicator bacteria, and within a similar range for bacteria commonly identified within water distribution systems, such as Mycobacterium spp. and Legionella spp. Copyright © 2017 Elsevier Ltd. All rights reserved.

Laboratory and numerical investigations of kinetic interface sensitive tracers transport for immiscible two-phase flow porous media systems

Science.gov (United States)

Tatomir, Alexandru Bogdan A. C.; Sauter, Martin

2017-04-01

A number of theoretical approaches estimating the interfacial area between two fluid phases are available (Schaffer et al.,2013). Kinetic interface sensitive (KIS) tracers are used to describe the evolution of fluid-fluid interfaces advancing in two phase porous media systems (Tatomir et al., 2015). Initially developed to offer answers about the supercritical (sc)CO2 plume movement and the efficiency of trapping in geological carbon storage reservoirs, KIS tracers are tested in dynamic controlled laboratory conditions. N-octane and water, analogue to a scCO2 - brine system, are used. The KIS tracer is dissolved in n-octane, which is injected as the non-wetting phase in a fully water saturated porous media column. The porous system is made up of spherical glass beads with sizes of 100-250 μm. Subsequently, the KIS tracer follows a hydrolysis reaction over the n-octane - water interface resulting in an acid and phenol which are both water soluble. The fluid-fluid interfacial area is described numerically with the help of constitutive-relationships derived from the Brooks-Corey model. The specific interfacial area is determined numerically from pore scale calculations, or from different literature sources making use of pore network model calculations (Joekar-Niasar et al., 2008). This research describes the design of the laboratory setup and compares the break-through curves obtained with the forward model and in the laboratory experiment. Furthermore, first results are shown in the attempt to validate the immiscible two phase flow reactive transport numerical model with dynamic laboratory column experiments. Keywords: Fluid-fluid interfacial area, KIS tracers, model validation, CCS, geological storage of CO2

Sediment and toxic contaminant transport modeling in coastal waters

International Nuclear Information System (INIS)

Onishi, Yasuo; Mayer, D.W.; Argo, R.S.

1982-01-01

Models are presented to estimate the migration of toxic contaminants in coastal waters. Ocean current is simulated by the vertically-averaged, finite element, two-demensional model known as CAFE-I with the Galerkin weighted residual technique. The refraction of locally generated waves or swells is simulated by the wave refraction model, LO3D. Using computed current, depth, and wave characteristics, the finite element model, FETRA, simulated sediment and contaminant transport in coastal waters, estuaries and rivers. Prior to the application of these models to the Irish Sea and other coastal waters, the finite element model, FETRA, was tested to demonstrate its ability to simulate sediment and contaminant interaction, and the mechanism governing the transport, deposition, and resuspension of contaminated sediment. Several simple equations such as the unsteady, advection-diffusion equation, the equation for noncohesive-sediment load due to wind-induced waves in offshore and surf zones, and the equation for sediment-radionuclide transport simulation were solved during the preliminary testing of the model. (Kato, T.)

Modelling anisotropic water transport in polymer composite ...

Indian Academy of Sciences (India)

Parameters for Fickian diffusion and polymer relaxation models were determined by .... Water transport process of resin and polymer composite specimens at ..... simulation. ... Kwon Y W and Bang H 1997 Finite element method using matlab.

Modeling Adsorption Kinetics (Bio-remediation of Heavy Metal Contaminated Water)

Science.gov (United States)

McCarthy, Chris

My talk will focus on modeling the kinetics of the adsorption and filtering process using differential equations, stochastic methods, and recursive functions. The models have been developed in support of our interdisciplinary lab group which is conducting research into bio-remediation of heavy metal contaminated water via filtration through biomass such as spent tea leaves. The spent tea leaves are available in large quantities as a result of the industrial production of tea beverages. The heavy metals bond with the surfaces of the tea leaves (adsorption). Funding: CUNY Collaborative Incentive Research Grant.

Upgrading of bitumen using supercritical water

Energy Technology Data Exchange (ETDEWEB)

Kayukawa, T. [JGC Corp., Ibaraki (Japan)

2009-07-01

This presentation outlined the technical and economic aspects of thermal cracking by supercritical water. Supercritical water (SCW) is a commonly used method for upgrading heavy oil to produce pipeline-transportable oil from high-viscous bitumen. The process uses water and does not require hydrogen nor catalysts. Pre-heated bitumen and water enter a vertical reactor with flows of counter current at the supercritical point of water. The upgraded synthetic crude oil (SCO) and pitch are obtained from the top of the reactor when the bitumen is thermally cracked. Bench-scale studies have shown that Canadian oil sands bitumen can be converted to 80 volume per cent of SCO and 20 volume per cent of pitch. The SCO has satisfied Canadian pipeline specifications in terms of API gravity and kinetic viscosity. The kinetic viscosity of the pitch has also satisfied boiler fuel specifications. tabs., figs.

Charge transport kinetics in a robust radical-substituted polymer/nanocarbon composite electrode

Science.gov (United States)

Sato, Kan; Oyaizu, Kenichi; Nishide, Hiroyuki

We have reported a series of organic radical-substituted polymers as new-type charge storage and transport materials which could be used for energy related devices such as batteries and solar cells. Redox-active radical moieties introduced to the non-conjugated polymer backbones enable the rapid electron transfer among the adjacent radical sites, and thus large diffusive flux of electrical charge at a bulk scale. Here we present the elucidated charge transport kinetics in a radical polymer/single-walled carbon nanotube (SWNT) composite electrode. The synergetic effect of electrical conduction by a three-dimensional SWNT network and electron self-exchange reaction by radical polymers contributed to the 105-fold (per 1 g of added SWNT) boosting of electrochemical reactions and exceptionally large current density (greater than 1 A/cm2) as a rechargeable electrode. A totally organic-based secondary battery with a submicron thickness was fabricated to demonstrate the splendid electrochemical performances. Grants-in-Aid for Scientific Research (No. 24225003, 15J00888) and the Leading Graduate Program in Science and Engineering, from the Japanese Ministry of Education, Culture, Sports, Science and Technology (MEXT).

Diffusion-kinetic theories for LET effects on the radiolysis of water

International Nuclear Information System (INIS)

Pimblott, S.M.; LaVerne, J.A.

1994-01-01

Diffusion-kinetic methods are used to investigate the effects of incident particle linear energy transfer (LET) on the radiolysis of water and aqueous solutions. Chemically realistic deterministic diffusion-kinetic calculations examining the scavenging capacity dependences of the scavenged yield of e aq - and of OH demonstrate that the scavenged yields are related to the underlying time-dependent kinetics in the absence of the scavenger by a simple Laplace transform relationship. This relationship is also shown to link the effect of an e eq - scavenger on the formation of H 2 with the time dependence of H 2 production in the absence of the scavenger. The simple Laplace relationship does not work well when applied to H 2 O 2 formation in high-LET particle tracks even though such a relationship is valid with low-LET particles. It is found that while the secondary reaction of H 2 O 2 with e aq - can be neglected in low-LET particle radiolysis, it is of considerable significance in the tracks produced by high-LET particles. The increased importance of this reaction with increasing LET is the major reason for the failure of the Laplace relationship for H 2 O 2 . 55 refs., 9 figs., 2 tabs

Kinetics of the reaction between H· and superheated water probed with muonium

Energy Technology Data Exchange (ETDEWEB)

Alcorn, C. [Mount Allison Univ., Sackville, NB (Canada); Brodovitch, J.-C. [Simon Fraser Univ., Burnaby, BC (Canada); Ghandi, K.; Kennedy, A. [Mount Allison Univ., Sackville, NB (Canada); Percival, P.W. [Simon Fraser Univ., Burnaby, BC (Canada); TRIUMF, Vancouver, BC (Canada); Smith, M. [Mount Allison Univ., Sackville, NB (Canada)

2011-07-01

Safe operation of a supercritical water cooled reactor requires knowledge of the reaction kinetics of transient species formed by the radiolysis of water in the temperature range 300-650{sup o}C. By using a light isotope of the H·atom, it is possible to study its chemistry in water over this range of temperatures. Arguably, the most important reaction to study is that of the H·atom with the bulk solvent. This reaction could provide an in situ source of H{sub 2} gas, which is added to CANDU reactors to suppress oxidative corrosion. The work described here concerns studies of the reaction of muonium with H{sub 2}O and D{sub 2}O at temperatures up to 450{sup o}C.

Modelling of the reactive transport of organic pollutants in ground water; Modellierung des reaktiven Transports organischer Schadstoffe im Grundwasser

Energy Technology Data Exchange (ETDEWEB)

Schaefer, W [Heidelberg Univ. (Germany). Inst. fuer Umweltphysik

1999-07-01

The book describes reactive transport of organic pollutants in ground water and its quantitative monitoring by means of numerical reaction transport models. A brief introduction dealing with the importance of and hazards to ground water and opportunities for making use of ground water models is followed by a more detailed chapter on organic pollutants in ground water. Here the focus is on organochlorine compounds and mineral oil products. Described are propagation mechanisms for these substances in the ground and, especially, their degradability in ground water. A separate chapter is dedicated to possibilities for cleaning up polluted ground water aquifers. The most important decontamination techniques are presented, with special emphasis on in-situ processes with hydraulic components. Moreover, this chapter discusses the self-cleaning capability of aquifers and the benefits of the application of models to ground water cleanup. In the fourth chapter the individual components of reaction transport models are indicated. Here it is, inter alia, differences in the formulation of reaction models as to their complexity, and coupling between suspended matter transport and reaction processes that are dealt with. This chapter ends with a comprehensive survey of literature regarding the application of suspended matter transport models to real ground water accidents. Chapter 5 consists of a description of the capability and principle of function of the reaction transport model TBC (transport biochemism/chemism). This model is used in the two described applications to the reactive transport of organic pollutants in ground water. (orig.) [German] Inhalt des vorliegenden Buches ist die Darstellung des reaktiven Transports organischer Schadstoffe im Grundwasser und dessen quantitative Erfassung mithilfe numerischer Reaktions-Transportmodelle. Auf eine kurze Einleitung zur Bedeutung und Gefaehrdung von Grundwasser und zu den Einsatzmoeglichkeiten von Grundwassermodellen folgt ein

Direct Measurements of Quantum Kinetic Energy Tensor in Stable and Metastable Water near the Triple Point: An Experimental Benchmark.

Science.gov (United States)

Andreani, Carla; Romanelli, Giovanni; Senesi, Roberto

2016-06-16

This study presents the first direct and quantitative measurement of the nuclear momentum distribution anisotropy and the quantum kinetic energy tensor in stable and metastable (supercooled) water near its triple point, using deep inelastic neutron scattering (DINS). From the experimental spectra, accurate line shapes of the hydrogen momentum distributions are derived using an anisotropic Gaussian and a model-independent framework. The experimental results, benchmarked with those obtained for the solid phase, provide the state of the art directional values of the hydrogen mean kinetic energy in metastable water. The determinations of the direction kinetic energies in the supercooled phase, provide accurate and quantitative measurements of these dynamical observables in metastable and stable phases, that is, key insight in the physical mechanisms of the hydrogen quantum state in both disordered and polycrystalline systems. The remarkable findings of this study establish novel insight into further expand the capacity and accuracy of DINS investigations of the nuclear quantum effects in water and represent reference experimental values for theoretical investigations.

Does water transport scale universally with tree size?

Science.gov (United States)

F.C. Meinzer; B.J. Bond; J.M. Warren; D.R. Woodruff

2005-01-01

1. We employed standardized measurement techniques and protocols to describe the size dependence of whole-tree water use and cross-sectional area of conducting xylem (sapwood) among several species of angiosperms and conifers. 2. The results were not inconsistent with previously proposed 314-power scaling of water transport with estimated above-...

Ir4+-Doped NiFe LDH to expedite hydrogen evolution kinetics as a Pt-like electrocatalyst for water splitting.

Science.gov (United States)

Chen, Qian-Qian; Hou, Chun-Chao; Wang, Chuan-Jun; Yang, Xiao; Shi, Rui; Chen, Yong

2018-06-06

NiFe-layered double hydroxide (NiFe LDH) is a state-of-the-art oxygen evolution reaction (OER) electrocatalyst, yet it suffers from rather poor catalytic activity for the hydrogen evolution reaction (HER) due to its extremely sluggish water dissociation kinetics, severely restricting its application in overall water splitting. Herein, we report a novel strategy to expedite the HER kinetics of NiFe LDH by an Ir4+-doping strategy to accelerate the water dissociation process (Volmer step), and thus this catalyst exhibits superior and robust catalytic activity for finally oriented overall water splitting in 1 M KOH requiring only a low initial voltage of 1.41 V delivering at 20 mA cm-2 for more than 50 h.

Irreversible processes kinetic theory

CERN Document Server

Brush, Stephen G

2013-01-01

Kinetic Theory, Volume 2: Irreversible Processes deals with the kinetic theory of gases and the irreversible processes they undergo. It includes the two papers by James Clerk Maxwell and Ludwig Boltzmann in which the basic equations for transport processes in gases are formulated, together with the first derivation of Boltzmann's ""H-theorem"" and a discussion of this theorem, along with the problem of irreversibility.Comprised of 10 chapters, this volume begins with an introduction to the fundamental nature of heat and of gases, along with Boltzmann's work on the kinetic theory of gases and s

RIVER-RAD, Radionuclide Transport in Surface Waters

International Nuclear Information System (INIS)

1996-01-01

1 - Description of program or function: RIVER-RAD assesses the potential fate of radionuclides released to rivers. The model is simplified in nature and is intended to provide guidance in determining the potential importance of the surface water pathway, relevant transport mechanisms, and key radionuclides in estimating radiological dose to man. 2 - Method of solution: A compartmental linear transfer model is used in RIVER-RAD. The river system model in the code is divided into reaches (compartments) of equal size, each with a sediment compartment below it. The movement of radionuclides is represented by a series of transfers between the reaches, and between the water and sediment compartments of each reach. Within each reach (for both the water and sediment compartments), the radionuclides are assumed to be uniformly mixed. Upward volatilization is allowed from the water compartment, and the transfer of radionuclides between the reaches is determined by the flow rate of the river. Settling and resuspension velocities determine the transfer of absorbed radionuclides between the water and sediment compartments. Radioactive decay and decay-product buildup are incorporated into all transport calculations for all radionuclide chains specified by the user. Each nuclide may have unique input and removal rates. Volatilization and radiological decay are considered as linear rate constants in the model. 3 - Restrictions on the complexity of the problem: None noted

Kinetic mean field theories: Results of energy constraint in maximizing entropy

NARCIS (Netherlands)

Stell, G.; Karkheck, J.; Beijeren, H. van

1983-01-01

Structure of liquids and solids; crystallography Classical, semiclassical, and quantum theories of liquid structure Statistical theories of liquid structure - Kinetic and transport theory of fluids; physical properties of gases Kinetic and transport theory

Kinetics of passivation of a nickel-base alloy in high temperature water

Energy Technology Data Exchange (ETDEWEB)

Machet, A. [Laboratoire de Physico-Chimie des Surfaces, CNRS-ENSCP (UMR 7045), Ecole Nationale Superieure de Chimie de Paris, Universite Pierre et Marie Curie, F-75231 Paris cedex 05 (France)]|[Framatome ANP, Tour AREVA, F-92084 Paris-la-Defense (France); Galtayries, A.; Zanna, S.; Marcus, P. [Laboratoire de Physico-Chimie des Surfaces, CNRS-ENSCP (UMR 7045), Ecole Nationale Superieure de Chimie de Paris, Universite Pierre et Marie Curie, F-75231 Paris cedex 05 (France); Jolivet, P.; Scott, P. [Framatome ANP, Tour AREVA, F-92084 Paris-la-Defense (France); Foucault, M.; Combrade, P. [Framatome ANP, Centre Technique, F-71205 Le Creusot (France)

2004-07-01

The kinetics of passivation and the composition of the surface oxide layer, in high temperature and high pressure water, of a nickel-chromium-iron alloy (Alloy 600) have been investigated by X-ray Photoelectron Spectroscopy (XPS). The samples have been exposed for short (0.4 - 8.2 min) and longer (0 - 400 hours) time periods to high temperature (325 deg. C) and high pressure water (containing boron and lithium) under controlled hydrogen pressure. The experiments were performed in two types of autoclaves: a novel autoclave dedicated to short time periods and a classic static autoclave for the longer exposures. In the initial stage of passivation, a continuous ultra-thin layer of chromium oxide (Cr{sub 2}O{sub 3}) is rapidly formed on the surface with an external layer of chromium hydroxide. For longer times of passivation, the oxide layer is in a duplex form with an internal chromium oxide layer and an external layer of nickel hydroxide. The growth of the internal Cr{sub 2}O{sub 3} oxide layer has been fitted by three classical models (parabolic, logarithmic and inverse logarithmic laws) for the short passivation times, and the growth curves have been extrapolated to longer passivation periods. The comparison with the experimental results reveals that the kinetics of passivation of Alloy 600 in high temperature and high pressure water, for passivation times up to 400 hours, is well fitted by a logarithmic growth law. (authors)

Kinetics of passivation of a nickel-base alloy in high temperature water

International Nuclear Information System (INIS)

Machet, A.; Galtayries, A.; Zanna, S.; Marcus, P.; Jolivet, P.; Scott, P.; Foucault, M.; Combrade, P.

2004-01-01

The kinetics of passivation and the composition of the surface oxide layer, in high temperature and high pressure water, of a nickel-chromium-iron alloy (Alloy 600) have been investigated by X-ray Photoelectron Spectroscopy (XPS). The samples have been exposed for short (0.4 - 8.2 min) and longer (0 - 400 hours) time periods to high temperature (325 deg. C) and high pressure water (containing boron and lithium) under controlled hydrogen pressure. The experiments were performed in two types of autoclaves: a novel autoclave dedicated to short time periods and a classic static autoclave for the longer exposures. In the initial stage of passivation, a continuous ultra-thin layer of chromium oxide (Cr 2 O 3 ) is rapidly formed on the surface with an external layer of chromium hydroxide. For longer times of passivation, the oxide layer is in a duplex form with an internal chromium oxide layer and an external layer of nickel hydroxide. The growth of the internal Cr 2 O 3 oxide layer has been fitted by three classical models (parabolic, logarithmic and inverse logarithmic laws) for the short passivation times, and the growth curves have been extrapolated to longer passivation periods. The comparison with the experimental results reveals that the kinetics of passivation of Alloy 600 in high temperature and high pressure water, for passivation times up to 400 hours, is well fitted by a logarithmic growth law. (authors)

Structural transformations, water incorporation and transport properties of tin-substituted barium indate

Science.gov (United States)

Cichy, Kacper; Skubida, Wojciech; Świerczek, Konrad

2018-06-01

Incorporation of water into tin-substituted BaIn1-xSnxO3-δ (x = 0.1-0.3) is shown to influence crystal structure at room temperature, structural transformations at high temperatures and ionic transport properties of the materials. Increasing tin content stabilizes oxygen vacancy-disordered perovskite-type phase, which together with large changes of the unit cell volume occurring during hydration and dehydration processes, result in a complex structural behavior, as documented by high-temperature X-ray diffraction and thermogravimetric studies. Impedance spectroscopy measurements at elevated temperatures (350-800 °C) revealed very high proton conductivity in BaIn.8Sn.2O3-δ, exceeding 1.1·10-3 S cm-1 at 500 °C, with high values of the transference number in wet air. At the same time, relaxation kinetics of the electrical conductivity showed a monotonous nature, which indicates negligible component of the electronic hole conductivity in the hydrated material. The oxides are extremely moisture-sensitive, which results in a significant mechanical stability problems, affecting possibility to prepare electrolyte membranes.

Geochemical thermodynamic and kinetic modeling that take into account the mass transfer phenomena in saturated porous medium

International Nuclear Information System (INIS)

Gerard, Frederic

1996-01-01

The mass transport mechanisms (advection. mechanical dispersion and molecular diffusion) have been introduced into the thermodynamic and kinetic geochemical code KINDIS. This innovative approach to couple chemical and transport mass transfers has allowed us to develop a reactive transport or hydrochemical code named KIRMAT, which naturally preserve the comprehensive geochemical functions of KINDIS. Mass transport phenomena through the total connected porosity of a water-saturated porous medium are solved over one spatial dimension (ID). The finite difference method is used. An explicit or forward time scheme is computed. The advective finite difference expression may be either centered or upstream weighted. Thus, ail of the hydrodynamic conditions may be modeled (from the pure advection to pure diffusion). The mass transport and geochemical flux are solved simultaneously (one-step algorithm). Moreover. the code KIRMAT is designed to quantify reactive mass transport through a double or dual porosity medium, in which the flow porosity (filled by free water) and the diffusion porosity (containing stagnant water) are viewed as two distinct sub mediums or Systems. Under some given conditions, the need to solve one or the other mass transport equation is a function of the water-rock System size. The accuracy of the kinetic constraint has been improved in KIRMAT. Two new kinetic rate laws have been introduced for the dissolution of the most abundant silicates (alkali feldspars, silica. etc.). These rate laws integrate the quantitatively important inhibitor and catalytic effects involved with some dissolved chemical elements that are ubiquitous in natural aqueous solutions. The basic step. the numerical verification of the code, has been tackled with two complementary approaches. The numerical results from KIRMAT have been compared to those calculated from an exact solution and a new method has been developed and used. We have compared the numerical results of KIRMAT in

Stomatal kinetics and photosynthetic gas exchange along a continuum of isohydric to anisohydric regulation of plant water status.

Science.gov (United States)

Meinzer, Frederick C; Smith, Duncan D; Woodruff, David R; Marias, Danielle E; McCulloh, Katherine A; Howard, Ava R; Magedman, Alicia L

2017-08-01

Species' differences in the stringency of stomatal control of plant water potential represent a continuum of isohydric to anisohydric behaviours. However, little is known about how quasi-steady-state stomatal regulation of water potential may relate to dynamic behaviour of stomata and photosynthetic gas exchange in species operating at different positions along this continuum. Here, we evaluated kinetics of light-induced stomatal opening, activation of photosynthesis and features of quasi-steady-state photosynthetic gas exchange in 10 woody species selected to represent different degrees of anisohydry. Based on a previously developed proxy for the degree of anisohydry, species' leaf water potentials at turgor loss, we found consistent trends in photosynthetic gas exchange traits across a spectrum of isohydry to anisohydry. More anisohydric species had faster kinetics of stomatal opening and activation of photosynthesis, and these kinetics were closely coordinated within species. Quasi-steady-state stomatal conductance and measures of photosynthetic capacity and performance were also greater in more anisohydric species. Intrinsic water-use efficiency estimated from leaf gas exchange and stable carbon isotope ratios was lowest in the most anisohydric species. In comparisons between gas exchange traits, species rankings were highly consistent, leading to species-independent scaling relationships over the range of isohydry to anisohydry observed. © 2017 John Wiley & Sons Ltd.

Sediment and toxic contaminant transport modeling in coastal waters

International Nuclear Information System (INIS)

Onishi, Y.; Mayer, D.W.; Argo, R.S.

1982-02-01

A hydrodynamic model, CAFE-I, a wave refraction model, LO3D, and a sediment and contaminant transport model, FETRA, were selected as tools for evaluating exposure levels of radionuclides, heavy metals, and other toxic chemicals in coastal waters. Prior to the application of these models to the Irish Sea and other coastal waters, the finite element model, FETRA, was tested to demonstrate its ability to simulate sediment and contaminant interactions (e.g., adsorption and desorption), and the mechanisms governing the transport, deposition, and resuspension of contaminated sediments

Modeling the Release Kinetics of Poorly Water-Soluble Drug Molecules from Liposomal Nanocarriers

Directory of Open Access Journals (Sweden)

Stephan Loew

2011-01-01

Full Text Available Liposomes are frequently used as pharmaceutical nanocarriers to deliver poorly water-soluble drugs such as temoporfin, cyclosporine A, amphotericin B, and paclitaxel to their target site. Optimal drug delivery depends on understanding the release kinetics of the drug molecules from the host liposomes during the journey to the target site and at the target site. Transfer of drugs in model systems consisting of donor liposomes and acceptor liposomes is known from experimental work to typically exhibit a first-order kinetics with a simple exponential behavior. In some cases, a fast component in the initial transfer is present, in other cases the transfer is sigmoidal. We present and analyze a theoretical model for the transfer that accounts for two physical mechanisms, collisions between liposomes and diffusion of the drug molecules through the aqueous phase. Starting with the detailed distribution of drug molecules among the individual liposomes, we specify the conditions that lead to an apparent first-order kinetic behavior. We also discuss possible implications on the transfer kinetics of (1 high drug loading of donor liposomes, (2 attractive interactions between drug molecules within the liposomes, and (3 slow transfer of drugs between the inner and outer leaflets of the liposomes.

Gyrokinetic water-bag modeling of a plasma column: Magnetic moment distribution and finite Larmor radius effects

Science.gov (United States)

Klein, R.; Gravier, E.; Morel, P.; Besse, N.; Bertrand, P.

2009-08-01

Describing turbulent transport in fusion plasmas is a major concern in magnetic confinement fusion. It is now widely known that kinetic and fluid descriptions can lead to significantly different properties. Although more accurate, the kinetic calculation of turbulent transport is much more demanding of computer resources than fluid simulations. An alternative approach is based on a water-bag representation of the distribution function that is not an approximation but rather a special class of initial conditions, allowing one to reduce the full kinetic Vlasov equation into a set of hydrodynamics equations while keeping its kinetic character [P. Morel, E. Gravier, N. Besse et al., Phys. Plasmas 14, 112109 (2007)]. In this paper, the water-bag concept is used in a gyrokinetic context to study finite Larmor radius effects with the possibility of using the full Larmor radius distribution instead of an averaged Larmor radius. The resulting model is used to study the ion temperature gradient (ITG) instability.

Intact plant MRI for the study of cell water relations, membrane permeability, cell-to-cell and long distance water transport

NARCIS (Netherlands)

As, van H.

2007-01-01

Water content and hydraulic conductivity, including transport within cells, over membranes, cell-to-cell, and long-distance xylem and phloem transport, are strongly affected by plant water stress. By being able to measure these transport processes non-invasely in the intact plant situation in

Critical review: Radionuclide transport, sediment transport, and water quality mathematical modeling; and radionuclide adsorption/desorption mechanisms

Energy Technology Data Exchange (ETDEWEB)

Onishi, Y.; Serne, R.J.; Arnold, E.M.; Cowan, C.E.; Thompson, F.L. [Pacific Northwest Lab., Richland, WA (United States)

1981-01-01

This report describes the results of a detailed literature review of radionuclide transport models applicable to rivers, estuaries, coastal waters, the Great Lakes, and impoundments. Some representatives sediment transport and water quality models were also reviewed to evaluate if they can be readily adapted to radionuclide transport modeling. The review showed that most available transport models were developed for dissolved radionuclide in rivers. These models include the mechanisms of advection, dispersion, and radionuclide decay. Since the models do not include sediment and radionuclide interactions, they are best suited for simulating short-term radionuclide migration where: (1) radionuclides have small distribution coefficients; (2) sediment concentrations in receiving water bodies are very low. Only 5 of the reviewed models include full sediment and radionuclide interactions: CHMSED developed by Fields; FETRA SERATRA, and TODAM developed by Onishi et al, and a model developed by Shull and Gloyna. The 5 models are applicable to cases where: (1) the distribution coefficient is large; (2) sediment concentrations are high; or (3) long-term migration and accumulation are under consideration. The report also discusses radionuclide absorption/desorption distribution ratios and addresses adsorption/desorption mechanisms and their controlling processes for 25 elements under surface water conditions. These elements are: Am, Sb, C, Ce, Cm, Co, Cr, Cs, Eu, I, Fe, Mn, Np, P, Pu, Pm, Ra, Ru, Sr, Tc, Th, {sup 3}H, U, Zn and Zr.

Kinetic parameters, collision rates, energy exchanges and transport coefficients of non-thermal electrons in premixed flames at sub-breakdown electric field strengths

KAUST Repository

Bisetti, Fabrizio; El Morsli, Mbark

2014-01-01

The effects of an electric field on the collision rates, energy exchanges and transport properties of electrons in premixed flames are investigated via solutions to the Boltzmann kinetic equation. The case of high electric field strength, which

Effect of zinc additions on oxide rupture strain and repassivation kinetics of iron-based alloys in 288 C water

International Nuclear Information System (INIS)

Angeliu, T.M.; Andresen, P.L.

1996-01-01

The effect of Zn water chemistry additions on the mechanism of intergranular stress corrosion cracking (IGSCC) of Fe-based alloys in water at 288 C was evaluated in terms of the slip-dissolution model. In this model, an increase in the oxide film rupture strain or surface film repassivation kinetics improved resistance to IGSCC. The oxide rupture strain of type 304L (UNS S30403) stainless steel (SS) increased up to a factor of two in deaerated and 200 ppb oxygenated, high-purity water ( 300 h of exposure. Repassivation kinetics experiments showed Zn additions of ∼ 100 ppb increased the repassivation rate of an Fe-12% Cr alloys up to a factor of two in various deaerated water environments at 288 C. Life prediction modeling revealed that the combination of a more ductile oxide film and faster repassivation kinetics resulted in a reduction in the overall crack growth rate (CGR) by at least a factor of four. This factor of improvement was consistent with data from compact tension experiments in similar environments where CGR decreased as the Zn addition increased, with a greater decrease in CGR realized at lower pre-Zn CGR

Photodegradation kinetics and transformation products of ketoprofen, diclofenac and atenolol in pure water and treated wastewater

International Nuclear Information System (INIS)

Salgado, R.; Pereira, V.J.; Carvalho, G.; Soeiro, R.; Gaffney, V.; Almeida, C.; Cardoso, V. Vale; Ferreira, E.; Benoliel, M.J.

2013-01-01

Highlights: ► Direct UV photolysis of 3 pharmaceuticals in pure and waste water was investigated. ► Ketoprofen has higher photodegradion kinetics, followed by diclofenac and atenolol. ► MP/UV photodegradation products were identified for the 3 compounds. ► Photodegradation pathways were proposed to explain the obtained products. ► The persistent photoproducts were identified for each compound. -- Abstract: Pharmaceutical compounds such as ketoprofen, diclofenac and atenolol are frequently detected at relatively high concentrations in secondary effluents from wastewater treatment plants. Therefore, it is important to assess their transformation kinetics and intermediates in subsequent disinfection processes, such as direct ultraviolet (UV) irradiation. The photodegradation kinetics of these compounds using a medium pressure (MP) lamp was assessed in pure water, as well as in filtered and unfiltered treated wastewater. Ketoprofen had the highest time- and fluence-based rate constants in all experiments, whereas atenolol had the lowest values, which is consistent with the corresponding decadic molar absorption coefficient and quantum yield. The fluence-based rate constants of all compounds were evaluated in filtered and unfiltered wastewater matrices as well as in pure water. Furthermore, transformation products of ketoprofen, diclofenac and atenolol were identified and monitored throughout the irradiation experiments, and photodegradation pathways were proposed for each compound. This enabled the identification of persistent transformation products, which are potentially discharged from WWTP disinfection works employing UV photolysis

Photodegradation kinetics and transformation products of ketoprofen, diclofenac and atenolol in pure water and treated wastewater

Energy Technology Data Exchange (ETDEWEB)

Salgado, R. [REQUIMTE/CQFB, Chemistry Department, FCT, Universidade Nova de Lisboa, 2829-516 Caparica (Portugal); ESTS-IPS, Escola Superior de Tecnologia de Setúbal do Instituto Politécnico de Setúbal, Rua Vale de Chaves, Campus do IPS, Estefanilha, 2910-761 Setúbal (Portugal); Pereira, V.J. [Instituto de Biologia Experimental e Tecnológica (IBET), Av. da República (EAN), 2784-505 Oeiras (Portugal); Instituto de Tecnologia Química e Biológica (ITQB) – Universidade Nova de Lisboa (UNL), Av. da República, Estação Agronómica Nacional, 2780-157 Oeiras, 5 Portugal (Portugal); Carvalho, G., E-mail: gs.carvalho@fct.unl.pt [REQUIMTE/CQFB, Chemistry Department, FCT, Universidade Nova de Lisboa, 2829-516 Caparica (Portugal); Instituto de Biologia Experimental e Tecnológica (IBET), Av. da República (EAN), 2784-505 Oeiras (Portugal); Soeiro, R. [REQUIMTE/CQFB, Chemistry Department, FCT, Universidade Nova de Lisboa, 2829-516 Caparica (Portugal); Gaffney, V.; Almeida, C. [Institute for Medicines and Pharmaceutical Sciences (iMed.UL), Faculdade de Farmácia da Universidade de Lisboa (FFUL), Av. Prof. Gama Pinto, 1600-049 Lisboa (Portugal); Cardoso, V. Vale; Ferreira, E.; Benoliel, M.J. [Empresa Portuguesa das Águas Livres, S.A., Direcção de Controlo de Qualidade da Água, Laboratório Central, Avenida de Berlim, 15, 1800-031 Lisboa (Portugal); and others

2013-01-15

Highlights: ► Direct UV photolysis of 3 pharmaceuticals in pure and waste water was investigated. ► Ketoprofen has higher photodegradion kinetics, followed by diclofenac and atenolol. ► MP/UV photodegradation products were identified for the 3 compounds. ► Photodegradation pathways were proposed to explain the obtained products. ► The persistent photoproducts were identified for each compound. -- Abstract: Pharmaceutical compounds such as ketoprofen, diclofenac and atenolol are frequently detected at relatively high concentrations in secondary effluents from wastewater treatment plants. Therefore, it is important to assess their transformation kinetics and intermediates in subsequent disinfection processes, such as direct ultraviolet (UV) irradiation. The photodegradation kinetics of these compounds using a medium pressure (MP) lamp was assessed in pure water, as well as in filtered and unfiltered treated wastewater. Ketoprofen had the highest time- and fluence-based rate constants in all experiments, whereas atenolol had the lowest values, which is consistent with the corresponding decadic molar absorption coefficient and quantum yield. The fluence-based rate constants of all compounds were evaluated in filtered and unfiltered wastewater matrices as well as in pure water. Furthermore, transformation products of ketoprofen, diclofenac and atenolol were identified and monitored throughout the irradiation experiments, and photodegradation pathways were proposed for each compound. This enabled the identification of persistent transformation products, which are potentially discharged from WWTP disinfection works employing UV photolysis.

Estimation of the nucleation kinetics for the anti-solvent crystallisation of paracetamol in methanol/water solutions

Science.gov (United States)

Ó'Ciardhá, Clifford T.; Frawley, Patrick J.; Mitchell, Niall A.

2011-08-01

In this work the primary nucleation kinetics have been estimated for the anti-solvent crystallisation of paracetamol in methanol-water solutions from metastable zone widths (MSZW) and induction times at 25 °C. Laser back-scattering via a focused beam reflectance Measurement (FBRM ®) is utilised to detect the onset of nucleation. The theoretical approach of Kubota was employed to estimate the nucleation kinetics, which accounts for the sensitivity of the nucleation detection technique. This approach is expanded in this work to analyse the induction time for an anti-solvent crystallisation process. Solvent composition is known to have a significant impact on the measured induction times and MSZW. The induction time in this paper was measured from 40% to 70% mass water and the MSZW is measured from 40% to 60% mass water. The primary focus of the paper was to gauge the extent of how solvent composition affects nucleation kinetics so that this effect may be incorporated into a population balance model. Furthermore, the effects of solvent composition on the estimated nucleation rates are investigated. The primary nucleation rates were found to decrease with dynamic solvent composition, with the extent of their reduction linked to the gradient of the solubility curve. Finally, both MSZW and induction time methods have been found to produce similar estimates for the nucleation parameters.

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

Science.gov (United States)

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

2015-08-01

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

A transportable system for radioactivity contaminated water treatment

International Nuclear Information System (INIS)

2013-01-01

Contaminated water treatment system called SARRY for retrieval and recovery of water in operation at the site of Fukushima Daiichi Nuclear Power Plant since August 2011 has been modified by compacting the system size to develop a mobile system SARRY-Aqua that can process Cs-contaminated water (one ton/hour) to the level of 10 Bq/kg. Installing the system in a small container with dimensions conforming to the international standards facilitates transportation by truck and enables the contaminated water treatment occurring in a variety of locations. (S. Ohno)

Turbulent transport across an interface between dry and humid air in a stratified environment

Science.gov (United States)

Gallana, Luca; de Santi, Francesca; di Savino, Silvio; Iovieno, Michele; Ricchiardone, Renzo; Tordella, Daniela

2014-11-01

The transport of energy and water vapor across a thin layer which separates two decaying isotropic turbulent flows with different kinetic energy and humidity is considered. The interface is placed in a shearless stratified environment in temporal decay. This system reproduces a few aspects of small scale turbulent transport across a dry air/moist air interface in an atmospheric like context. In our incompressible DNS at Reλ = 250 , Boussinesq's approximation is used for momentum and energy transport while the vapor is modeled as a passive scalar (Kumar, Schumacher & Shaw 2014). We investigated different stratification levels with an initial Fr between 0.8 and 8 in presence of a kinetic energy ratio equal to 7. As the buoyancy term becomes of the same order of the inertial ones, a spatial redistribution of kinetic energy, dissipation and vapor concentration is observed. This eventually leads to the onset of a well of kinetic energy in the low energy side of the mixing layer which blocks the entrainment of dry air. Results are discussed and compared with laboratory and numerical experiments. A posteriori estimates of the eventual compression/expansion of fluid particles inside the interfacial mixing layer are given (Nance & Durran 1994).

The potential importance of water pathways for spent fuel transportation accident risk

International Nuclear Information System (INIS)

Ostmeyer, R.M.

1986-01-01

This paper analyzes the potential importance of water pathway contamination for spent fuel transportation accident risk using a ''worst-case'' water contamination scenario. The scenario used for the analysis involves an accident release that occurs near a reservoir. Water pathway doses are compared to doses for accident releases in urban or agricultural areas. The results of the analysis indicate that water pathways are not important for assessing the risk of transporting spent reactor fuel by truck or by rail

Development of laboratory experiments serving as a basis for modeling the transport behaviour of arsenate, lead, cadmium and copper in water-saturated columns

International Nuclear Information System (INIS)

Hamer, K.

1993-01-01

The aim of the study was to work out laboratory experiments which might serve as a link between the bench and the application of CoTAM (Column Transport and Absorption Model) in real practice, thus thanking the development of this computer model which is to permit the simulation of the transport behaviour of heavy metals in porous aquilers. Efforts were made to find a process-oriented concept so as to provide a wide field of application. In developing the model and the laboratory experiments, this meant studying all the processes in groundwater separately as far as possible and avoiding case-specific sum parameters. The work centered on an examination of sorption processes during transport in groundwater, as this combination of processes is always found in natural porous aquifers. In water-saturated-column experiments on combinations of arenaceous quartz, feldspar, montmorillonite, goethite, peat and manganese oxide as the aquifer material, the transport of cadmium, copper, lead and arsenate was simulated on the bench scale. These case examples served to study sorption processes and their diverse kinetics as well as hydrodynamic processes. (orig./BBR) [de

Transport of Mars atmospheric water into high northern latitudes during a polar warming

Science.gov (United States)

Barnes, J. R.; Hollingsworth, J. L.

1988-01-01

Several numerical experiments were conducted with a simplified tracer transport model in order to attempt to examine the poleward transport of Mars atmospheric water during a polar warming like that which occurred during the winter solstice dust storm of 1977. The flow for the transport experiments was taken from numerical simulations with a nonlinear beta-plane dynamical model. Previous studies with this model have demonstrated that a polar warming having essential characteristics like those observed during the 1977 dust storm can be produced by a planetary wave mechanism analogous to that responsible for terrestrial sudden stratospheric warmings. Several numerical experiments intended to simulate water transport in the absence of any condensation were carried out. These experiments indicate that the flow during a polar warming can transport very substantial amounts of water to high northern latitudes, given that the water does not condense and fall out before reaching the polar region.

Sodium and chloride transport in soft water and hard water acclimated zebrafish (Danio rerio)

DEFF Research Database (Denmark)

Boisen, A M Z; Amstrup, J; Novak, I

2003-01-01

pump activity, changes in abundance and possibly localization of this protein did not appear to contribute to soft water acclimation. Active Cl(-) uptake was strongly dependent on branchial carbonic anhydrase (CA) activity regardless of water type, while the response of Na(+) transport to a CA...

Structure-function relationships in sapwood water transport and storage.

Science.gov (United States)

Barbara L. Gartner; Frederick C. Meinzer

2005-01-01

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

Online estimation of radionuclide transportation in water environment

International Nuclear Information System (INIS)

Yi-Jing Zhang; Li-Sheng Hu

2017-01-01

Transportation evaluation of the radionuclide waste discharged from nuclear power plants is an essential licensing issue, especially for inland sites. Basically, the dynamics of radionuclide transportation are nonlinear and time-varying. Motivated by its time-consuming computation, the work proposed an online estimation method for the radionuclide waste in water surface. After extracting the nonlinearity of factors influencing radionuclide transportation, the method utilizes transfer function and generalized autoregressive conditional heteroskedasticity models to perform deterministic and probabilistic estimations. It turns out that, the resulting predictions show high accuracy and can optimize the online discharge management of radioactive waste for nuclear power plants. (author)

Kinetics of phase transformations

International Nuclear Information System (INIS)

Thompson, M.O.; Aziz, M.J.; Stephenson, G.B.

1992-01-01

This volume contains papers presented at the Materials Research Society symposium on Kinetics of Phase Transformations held in Boston, Massachusetts from November 26-29, 1990. The symposium provided a forum for research results in an exceptionally broad and interdisciplinary field. Presentations covered nearly every major class of transformations including solid-solid, liquid-solid, transport phenomena and kinetics modeling. Papers involving amorphous Si, a dominant topic at the symposium, are collected in the first section followed by sections on four major areas of transformation kinetics. The symposium opened with joint sessions on ion and electron beam induced transformations in conjunction with the Surface Chemistry and Beam-Solid Interactions: symposium. Subsequent sessions focused on the areas of ordering and nonlinear diffusion kinetics, solid state reactions and amorphization, kinetics and defects of amorphous silicon, and kinetics of melting and solidification. Seven internationally recognized invited speakers reviewed many of the important problems and recent results in these areas, including defects in amorphous Si, crystal to glass transformations, ordering kinetics, solid-state amorphization, computer modeling, and liquid/solid transformations

Enhanced water transport and salt rejection through hydrophobic zeolite pores

Science.gov (United States)

Humplik, Thomas; Lee, Jongho; O'Hern, Sean; Laoui, Tahar; Karnik, Rohit; Wang, Evelyn N.

2017-12-01

The potential of improvements to reverse osmosis (RO) desalination by incorporating porous nanostructured materials such as zeolites into the selective layer in the membrane has spurred substantial research efforts over the past decade. However, because of the lack of methods to probe transport across these materials, it is still unclear which pore size or internal surface chemistry is optimal for maximizing permeability and salt rejection. We developed a platform to measure the transport of water and salt across a single layer of zeolite crystals, elucidating the effects of internal wettability on water and salt transport through the ≈5.5 Å pores of MFI zeolites. MFI zeolites with a more hydrophobic (i.e., less attractive) internal surface chemistry facilitated an approximately order of magnitude increase in water permeability compared to more hydrophilic MFI zeolites, while simultaneously fully rejecting both potassium and chlorine ions. However, our results also demonstrated approximately two orders of magnitude lower permeability compared to molecular simulations. This decreased performance suggests that additional transport resistances (such as surface barriers, pore collapse or blockages due to contamination) may be limiting the performance of experimental nanostructured membranes. Nevertheless, the inclusion of hydrophobic sub-nanometer pores into the active layer of RO membranes should improve both the water permeability and salt rejection of future RO membranes (Fasano et al 2016 Nat. Commun. 7 12762).

Spent nuclear fuel transportation casks evaluation for water in-leakage

International Nuclear Information System (INIS)

Shah, M.J.; Huang, D.T.; Guttmann, J.; Klymyshyn, N.A.; Koeppel, B.J.; Adkins, H.E.

2004-01-01

The United States Nuclear Regulatory Commission (USNRC) is responsible for licensing commercial spent fuel storage and transportation systems. To ensure that the regulations are risk-informed, and do not place unnecessary regulatory burden on the industry, the USNRC has been examining its regulations that apply to spent fuel transportation casks for maintaining sub-criticality under hypothetical accident conditions. Code of Federal Regulations, Title 10, Part 71[1] (10 CFR 71), section 71.55(b) requires that, for evaluation of sub-criticality for fissile material packages, water moderation should be assumed to occur to the most reactive credible extent consistent with the chemical and physical form of the contents. This requirement is based on a defense-in-depth policy, and accounts for any possibility of water intrusion into the package. This program is designed to quantify the margins of safety of certified transportation casks to water intrusion following hypothetical accident conditions. This paper describes the current status of analytical work being performed to evaluate two USNRC-certified spent fuel transportation casks, HI-STAR 100[2] and TN-68[3]. The analytical work is performed using the ANSYS registered [4] and LS-DYNA trademark [5] finite element analysis (FEA) codes. The models are sufficiently detailed in the areas of bolt closure interfaces and containment boundaries to evaluate the likelihood water in-leakage under free drop hypothetical accident conditions of 10 CFR 71.73

Enhanced water transport and salt rejection through hydrophobic zeolite pores.

Science.gov (United States)

Humplik, Thomas; Lee, Jongho; O'Hern, Sean; Laoui, Tahar; Karnik, Rohit; Wang, Evelyn N

2017-12-15

The potential of improvements to reverse osmosis (RO) desalination by incorporating porous nanostructured materials such as zeolites into the selective layer in the membrane has spurred substantial research efforts over the past decade. However, because of the lack of methods to probe transport across these materials, it is still unclear which pore size or internal surface chemistry is optimal for maximizing permeability and salt rejection. We developed a platform to measure the transport of water and salt across a single layer of zeolite crystals, elucidating the effects of internal wettability on water and salt transport through the ≈5.5 Å pores of MFI zeolites. MFI zeolites with a more hydrophobic (i.e., less attractive) internal surface chemistry facilitated an approximately order of magnitude increase in water permeability compared to more hydrophilic MFI zeolites, while simultaneously fully rejecting both potassium and chlorine ions. However, our results also demonstrated approximately two orders of magnitude lower permeability compared to molecular simulations. This decreased performance suggests that additional transport resistances (such as surface barriers, pore collapse or blockages due to contamination) may be limiting the performance of experimental nanostructured membranes. Nevertheless, the inclusion of hydrophobic sub-nanometer pores into the active layer of RO membranes should improve both the water permeability and salt rejection of future RO membranes (Fasano et al 2016 Nat. Commun. 7 12762).

Analyzing the Molecular Kinetics of Water Spreading on Hydrophobic Surfaces via Molecular Dynamics Simulation.

Science.gov (United States)

Zhao, Lei; Cheng, Jiangtao

2017-09-07

In this paper, we report molecular kinetic analyses of water spreading on hydrophobic surfaces via molecular dynamics simulation. The hydrophobic surfaces are composed of amorphous polytetrafluoroethylene (PTFE) with a static contact angle of ~112.4° for water. On the basis of the molecular kinetic theory (MKT), the influences of both viscous damping and solid-liquid retarding were analyzed in evaluating contact line friction, which characterizes the frictional force on the contact line. The unit displacement length on PTFE was estimated to be ~0.621 nm and is ~4 times as long as the bond length of C-C backbone. The static friction coefficient was found to be ~[Formula: see text] Pa·s, which is on the same order of magnitude as the dynamic viscosity of water, and increases with the droplet size. A nondimensional number defined by the ratio of the standard deviation of wetting velocity to the characteristic wetting velocity was put forward to signify the strength of the inherent contact line fluctuation and unveil the mechanism of enhanced energy dissipation in nanoscale, whereas such effect would become insignificant in macroscale. Moreover, regarding a liquid droplet on hydrophobic or superhydrophobic surfaces, an approximate solution to the base radius development was derived by an asymptotic expansion approach.

An Isotopic view of water and nitrogen transport through the ...

Science.gov (United States)

Groundwater nitrate contamination affects thousands of households in Oregon’s southern Willamette Valley and many more across the Pacific Northwest. The southern Willamette Valley Groundwater Management Area (SWV GWMA) was established in 2004 due to nitrate levels in the groundwater exceeding the human health standard of 10 mg nitrate-N L-1. Much of the nitrogen inputs to the GWMA comes from agricultural nitrogen use, and thus efforts to reduce N inputs to groundwater are focused upon improving N management. However, the effectiveness of these improvements on groundwater quality is unclear because of the complexity of nutrient transport through the vadose zone and long groundwater residence times. Our objective was to focus on vadose zone transport and understand the dynamics and timing of N and water movement below the rooting zone in relation to N management and water inputs. Stable isotopes are a powerful tool for tracking water movement, and understanding nitrogen transformations within the vadose zone. In partnership with local farmers, and state agencies, we established lysimeters and groundwater wells in multiple agricultural fields in the GWMA, and have monitored nitrate, nitrate isotopes, and water isotopes weekly for multiple years. Our results indicate that vadose zone transport is highly complex, and the residence time of water collected in lysimeters was much longer than expected. While input precipitation water isotopes were highly variab

CFD Model of Water Droplet Transport for ISS Hygiene Activity

Science.gov (United States)

Son, Chang H.

2011-01-01

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

Dynamic model of ion and water transport in ionic polymer-metal composites

Directory of Open Access Journals (Sweden)

Zicai Zhu

2011-12-01

Full Text Available In the process of electro-mechanical transduction of ionic polymer-metal composites (IPMCs, the transport of ion and water molecule plays an important role. In this paper, the theoretical transport models of IPMCs are critically reviewed, with particular emphasis on the recent developments in the latest decade. The models can be divided into three classes, thermodynamics of irreversible process model, frictional model and Nernst-Planck (NP equation model. To some extent the three models can be transformed into each other, but their differences are also obvious arising from the various mechanisms that considered in different models. The transport of ion and water molecule in IPMCs is compared with that in membrane electrode assembly and electrodialysis membrane to identify and clarify the fundamental transport mechanisms in IPMCs. And an improved transport model is proposed and simplified for numerical analysis. The model considers the convection effect rather than the diffusion as the major transport mechanism, and both the self-diffusion and the electroosmosis drag are accounted for in the water flux equation.

Experimental Investigation of Adsorption Kinetics: Implications for Diurnals Variations of Martian Atmospheric Water.

Science.gov (United States)

Slank, R.; Farris, H. N.; Chevrier, V.

2017-12-01

Introduction: Ice at Mars' equatorial regions is unstable at geologically short timescales, due to factors like thermal properties of the regolith and depth [1]. The distribution of ice is governed by thermodynamics and kinetics, which largely depends on diffusive and adsorptive properties of the regolith [2] and are studied through simulation experiments on regolith analogs. Numerical models of water ice stability [3] often require kinetic parameters that are lacking for Mars relevant materials. Previous measurements were limited to clays [4] or did not account for temperature dependence [5]. Method: Measurements of input parameters are performed for different regoliths relevant to observations of the Martian surface: smectite, basalt, JSC-Mars 1, and nanophase ferric oxides [6]. While diffusive properties of some of these materials are well understood [7; 1; 8; 9], we seek to determine adsorption parameters, specifically the temperature dependencies for kinetics. Adsorption kinetic constants are derived from the change in mass of water adsorbed as a function of time on a thin layer ( 1mm thick) of regolith, resulting in minimum diffusion and maximum surface in contact with the atmosphere. The samples are baked for 24 hours at 100°C and then sealed in a desiccators placed in a freezer to cool the sample. All experiments are run in the Aries Mars Simulation Chamber. The chamber is evacuated to less that 1 mbar, filled with dry CO2 gas to atmospheric pressure, and chilled to the determined temperature. Once conditions are stable, the sample is measured and placed in the chamber. The sample is then exposed to a 6 mbar CO2 atmosphere at various temperatures (-12 to 3°C) and humidities (5 to 80%). Experiments are run for 4 to 8 hours, to allow the sample to reach steady state. During this time, mass, pressure, temperature, relative humidity, and water vapor pressure are recorded. References: [1] Beck, P. et al. (2010) JGR 115. [2] Chevrier, V.F. et al. (2008) Icarus

Morphology and Kinetics of Growth of CaCO3 Precipitates Formed in Saline Water at 30°C

Science.gov (United States)

Sui, Xin; Wang, Baohui; Wu, Haiming

2018-02-01

The crystallization kinetics and morphology of CaCO3 crystals precipitated from the high salinity oilfield water were studied. The crystallization kinetics measurements show that nucleation and nuclei growth obey the first order reaction kinetics. The induction period of precipitation is extended in the high salinity solutions. Morphological studies show that impurity ions remain mostly in the solution phase instead of filling the CaCO3 crystal lattice. The morphology of CaCO3 precipitates can be changed from a smooth surface (calcite) to rough spheres (vaterite), and spindle rod bundles, or spherical, ellipsoid, flowers, plates and other shapes (aragonite).

Mechanism and Kinetics of the Formation and Transport of Aerosol Particles in the Lower Stratosphere

Science.gov (United States)

Aloyan, A. E.; Ermakov, A. N.; Arutyunyan, V. O.

2018-03-01

Field and laboratory observation data on aerosol particles in the lower stratosphere are considered. The microphysics of their formation, mechanisms of heterogeneous chemical reactions involving reservoir gases (e.g., HCl, ClONO2, etc.) and their kinetic characteristics are analyzed. A new model of global transport of gaseous and aerosol admixtures in the lower stratosphere is described. The preliminary results from a numerical simulation of the formation of sulfate particles of the Junge layer and particles of polar stratospheric clouds (PSCs, types Ia, Ib, and II) are presented, and their effect on the gas and aerosol composition is analyzed.

Effects of flavonoid mixtures on the transport of 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine (PhIP) through Caco-2 monolayers: An in vitro and kinetic modeling approach to predict the combined effects on transporter inhibition

NARCIS (Netherlands)

Schutte, M.E.; Boersma, M.G.; Verhallen, D.A.M.; Groten, J.P.; Rietjens, I.M.C.M.

2008-01-01

This study describes and kinetically models the effect of flavonoid mixtures on PhIP transport through Caco-2 monolayers. Previously it was shown that quercetin, luteolin, naringenin and myricetin increase the apical to basolateral PhIP transport in Caco-2 monolayers. In this study, apigenin was

Kinetic Controls on the Desorption/Dissolution of Sorbed U(VI) and their Influence on Reactive Transport

International Nuclear Information System (INIS)

Zachara, John M.; Chongxuan Liu; Qafoku, Nikolla P.; McKinley, James P.; Catalano, Jeffrey G.; Brown, Gordon E. Jr.; Davis, James A.

2006-01-01

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

Kinetic Controls on the Desorption/Dissolution of Sorbed U(VI) and Their Influence on Reactive Transport

International Nuclear Information System (INIS)

J. M. Zachara; C. Liu; N. Qafoku; J. P. McKinley; J. A. Davis; D. Stoliker; Y. Arai; J. G. Catalano; G. E. Brown, Jr.

2007-01-01

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 or precipitates), mineral residence, and physical location of contaminant U in a depth sequence of sediments from the

Bacteria transport and retention in intact calcareous soil columns under saturated flow conditions

Directory of Open Access Journals (Sweden)

Farrokhian Firouzi Ahmad

2015-06-01

Full Text Available Study of bacterial transport and retention in soil is important for various environmental applications such as groundwater contamination and bioremediation of soil and water. The main objective of this research was to quantitatively assess bacterial transport and deposition under saturated conditions in calcareous soil. A series of leaching experiments was conducted on two undisturbed soil columns. Breakthrough curves of Pseudomonas fluorescens and Cl were measured. After the leaching experiment, spatial distribution of bacteria retention in the soil columns was determined. The HYDRUS-1D one- and two-site kinetic models were used to predict the transport and deposition of bacteria in soil. The results indicated that the two-site model fits the observed data better than one-site kinetic model. Bacteria interaction with the soil of kinetic site 1 revealed relatively fast attachment and slow detachment, whereas attachment to and detachment of bacteria from kinetic site 2 was fast. Fast attachment and slow detachment of site 1 can be attributed to soil calcium carbonate that has favorable attachment sites for bacteria. The detachment rate was less than 0.02 of the attachment rate, indicating irreversible attachment of bacteria. High reduction rate of bacteria was also attributed to soil calcium carbonate.

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

International Nuclear Information System (INIS)

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

The Role of Kinetic Alfven Waves in Plasma Transport in an Ion-scale Flux Rope

Science.gov (United States)

Tang, B.; Li, W.; Wang, C.; Dai, L.

2017-12-01

Magnetic flux ropes, if generated by multiply X-line reconnections, would be born as a crater type one, meaning the plasma density within is relatively high. They will then evolve into typical flux ropes as plasma are transported away along the magnetic field lines [Zhang et al., 2010]. In this study, we report an ion-scale flux rope observed by MMS on November 28, 2016, which is accompanied by strong kinetic Alfven waves (KAW). The related wave parallel electric field can effectively accelerate electrons inside the flux rope by Landau resonance, resulting into a significant decrease of the electron at 90° pitch angle. The change of electron pitch angle distribution would cause the rapid plasma transport along the magnetic field lines, and help the flux rope evolve into a strong magnetic core in a short time. This wave-particle interaction would be a candidate mechanism to explain the rareness of crater flux ropes in reality.

Kinetic model of water disinfection using peracetic acid including synergistic effects.

Science.gov (United States)

Flores, Marina J; Brandi, Rodolfo J; Cassano, Alberto E; Labas, Marisol D

2016-01-01

The disinfection efficiencies of a commercial mixture of peracetic acid against Escherichia coli were studied in laboratory scale experiments. The joint and separate action of two disinfectant agents, hydrogen peroxide and peracetic acid, were evaluated in order to observe synergistic effects. A kinetic model for each component of the mixture and for the commercial mixture was proposed. Through simple mathematical equations, the model describes different stages of attack by disinfectants during the inactivation process. Based on the experiments and the kinetic parameters obtained, it could be established that the efficiency of hydrogen peroxide was much lower than that of peracetic acid alone. However, the contribution of hydrogen peroxide was very important in the commercial mixture. It should be noted that this improvement occurred only after peracetic acid had initiated the attack on the cell. This synergistic effect was successfully explained by the proposed scheme and was verified by experimental results. Besides providing a clearer mechanistic understanding of water disinfection, such models may improve our ability to design reactors.

Chloroform and trichloroethylene uptake from water into human skin in vitro: Kinetics and risk implications

International Nuclear Information System (INIS)

Bogen, K.T.; Keating, G.A.; Vogel, J.S.

1995-03-01

A model recently proposed by the US Environmental Protection Agency (EPA) predicts that short-term dermal uptakes of organic environmental water contaminants are proportional to the square root of exposure time. The model appears to underestimate dermal uptake, based on very limited in vivo uptake data obtained primarily using human subjects. To further assess this model, we examined in vitro dermal uptake kinetics for aqueous organic chemicals using accelerator mass spectrometry (AMS). Specifically, we examined the kinetics of in vitro dermal uptake of 14 C-labeled chloroform and trichloroethylene from dilute (5-ppb) aqueous solutions using full-thickness human cadaver skin exposed for (≤1 hr)

Oxidation of phenyl alanine by pyridinium chlorochromate in acidic DMF–water medium: A kinetic study

Directory of Open Access Journals (Sweden)

B.L. Hiran

2016-11-01

Full Text Available The kinetics of oxidation of phenyl alanine by pyridinium chlorochromate in DMF–water (70:30% mixture in presence of perchloric acid leads to the formation of corresponding aldehyde. The reaction is of first order each in [PCC], [HClO4] and [AA]. Michaelis–Menten type kinetics was observed with phenyl alanine. The reaction rates were determined at different temperatures [25, 30, 35, 40, 45, 50 °C] and the activation parameters were calculated. The reaction does not induce polymerization of acrylonitrile. With an increase in the amount of DMF in its aqueous mixture, the rate increases. A suitable mechanism for the reaction was postulated.

Climatic Analysis of Oceanic Water Vapor Transports Based on Satellite E-P Datasets

Science.gov (United States)

Smith, Eric A.; Sohn, Byung-Ju; Mehta, Vikram

2004-01-01

Understanding the climatically varying properties of water vapor transports from a robust observational perspective is an essential step in calibrating climate models. This is tantamount to measuring year-to-year changes of monthly- or seasonally-averaged, divergent water vapor transport distributions. This cannot be done effectively with conventional radiosonde data over ocean regions where sounding data are generally sparse. This talk describes how a methodology designed to derive atmospheric water vapor transports over the world oceans from satellite-retrieved precipitation (P) and evaporation (E) datasets circumvents the problem of inadequate sampling. Ultimately, the method is intended to take advantage of the relatively complete and consistent coverage, as well as continuity in sampling, associated with E and P datasets obtained from satellite measurements. Independent P and E retrievals from Special Sensor Microwave Imager (SSM/I) measurements, along with P retrievals from Tropical Rainfall Measuring Mission (TRMM) measurements, are used to obtain transports by solving a potential function for the divergence of water vapor transport as balanced by large scale E - P conditions.

Water transport mechanisms across inorganic membranes in rad waste treatment by electro dialysis

International Nuclear Information System (INIS)

Andalaft, E.; Labayru, R.

1992-01-01

The work described in this paper deals with effects and mechanisms of water transport across an inorganic membrane, as related to some studied on the concentration of caesium, strontium, plutonium and other cations of interest to radioactive waste treatment. Several different water transport mechanisms are analysed and assessed as to their individual contribution towards the total transference of water during electro-dialysis using inorganic membranes. Water transfer assisted by proton jump mechanism, water of hydration transferred along with the ions, water related to thermo-osmotic effect, water transferred by concentration gradient and water transferred electrolytically under zeta potential surface charge drive are some of the different mechanism discussed. (author)

Adsorption of selected emerging contaminants onto PAC and GAC: Equilibrium isotherms, kinetics, and effect of the water matrix.

Science.gov (United States)

Real, Francisco J; Benitez, F Javier; Acero, Juan L; Casas, Francisco

2017-07-03

The removal of three emerging contaminants (ECs) (amitriptyline hydrochloride (AH), methyl salicylate (MS) and 2-phenoxyethanol (PE)) dissolved in several water matrices by means of their adsorption onto powdered activated carbon (PAC) and granular activated carbon (GAC) has been investigated. When dissolved in ultrapure water, adsorption of the ECs followed the trend of AH > MS > PE, with a positive effect of the adsorbent dose. According to the analysis of the adsorption isotherms and adsorption kinetics, PAC showed strongly higher adsorption efficiency in both capacity and velocity of the adsorption, in agreement with its higher mesoporosity. Equilibrium isotherm data were fitted by Langmuir and Freundlich models. Pseudo-second order kinetics modeled very successfully the adsorption process. Finally, the effect of the presence of dissolved organic matter (DOM) in the water matrices (ultrapure water, surface water and two effluents from wastewater treatment plants) on the adsorption of the selected ECs onto PAC was established, as well as its performance on the removal of water quality parameters. Results show a negative effect of the DOM content on the adsorption efficiency. Over 50% of organic matter was removed with high PAC doses, revealing that adsorption onto PAC is an effective technology to remove both micro-pollutants and DOM from water matrices.

Unsaturated water flow and tracer transport modeling with Alliances

Energy Technology Data Exchange (ETDEWEB)

Constantin, Alina, E-mail: alina.constantin@nuclear.ro [Institute for Nuclear Research, Campului Str, No. 1, PO Box 78, Postal Code 115400 Mioveni, Arges County (Romania); Genty, Alain, E-mail: alain.genty@cea.fr [CEA Saclay, DM2S/SFME/LSE, Gif-sur-Yvette 91191 cedex (France); Diaconu, Daniela; Bucur, Crina [Institute for Nuclear Research, Campului Str, No. 1, PO Box 78, Postal Code 115400 Mioveni, Arges County (Romania)

2013-12-15

Highlights: • Simulation of water flow and solute transport at Saligny site, Romania was done. • Computation was based on the available experimental data with Alliances platform. • Very good results were obtained for the saturation profile in steady state. • Close fit to experimental data for saturation profile at 3 m in transient state. • Large dispersivity coefficients were fitted to match tracer experiment. - Abstract: Understanding water flow and solute transport in porous media is of central importance in predicting the radionuclide fate in the geological environment, a topic of interest for the performance and safety assessment studies for nuclear waste disposal. However, it is not easy to predict transport properties in real systems because they are geologically heterogeneous from the pore scale upwards. This paper addresses the simulation of water flow and solute transport in the unsaturated zone of the Saligny site, the potential location for the Romanian low and intermediate level waste (LILW) disposal. Computation was based on the current available experimental data for this zone and was performed within Alliances, a software platform initially jointly developed by French organizations CEA, ANDRA and EDF. The output of the model developed was compared with the measured values in terms of saturation profile of the soil for water movement, in both steady and transient state. Very good results were obtained for the saturation profile in steady state and a close fit of the simulation over experimental data for the water saturation profile at a depth of 3 m in transient state. In order to obtain information regarding the solute migration in depth and the solute lateral dispersion, a tracer test was launched on site and dispersivity coefficients of the solute were fitted in order to match the experimental concentration determined on samples from different locations of the site. Results much close to the experiment were obtained for a longitudinal

Fast Water Transport in CNTs: length dependence and entrane/exit effects

DEFF Research Database (Denmark)

Walther, Jens Honore; Koumoutsakos, Petros

Superfast water transport in carbon nanotube (CNT) membranes has been reported in experimental studies. We use Molecular Dynamics simulations to elucidate the mechanisms of water entry, exit and transport in 2nm-diameter hydrophobic CNTs embedded in a hydrophilic membrane matrix. We demonstrate......, for the first time, that under imposed pressures of the order of 1 bar, water entry into the CNT cavity and exit from the CNT end, can occur only on pre-wetted membranes. We conduct large scale simulations for up to 500nm long CNTs and observe a previously unseen dependence of the flow enhancement rates...

Hydrogen peroxide kinetics in water radiolysis

Science.gov (United States)

Iwamatsu, Kazuhiro; Sundin, Sara; LaVerne, Jay A.

2018-04-01

The kinetics of the formation and reaction of hydrogen peroxide in the long time γ- radiolysis of water is examined using a combination of experiment with model calculations. Escape yields of hydrogen peroxide on the microsecond time scale are easily measured with added radical scavengers even with substantial amounts of initial added hydrogen peroxide. The γ-radiolysis of aqueous hydrogen peroxide solutions without added radical scavengers reach a steady state limiting concentration of hydrogen peroxide with increasing dose, and that limit is directly proportional to the initial concentration of added hydrogen peroxide. The dose necessary to reach that limiting hydrogen peroxide concentration is also proportional to the initial concentration, but dose rate has a very small effect. The addition of molecular hydrogen to aqueous solutions of hydrogen peroxide leads to a decrease in the high dose limiting hydrogen peroxide concentration that is linear with the initial hydrogen concentration, but the amount of decrease is not stoichiometric. Proton irradiations of solutions with added hydrogen peroxide and hydrogen are more difficult to predict because of the decreased yields of radicals; however, with a substantial increase in dose rate there is a sufficient decrease in radical yields that hydrogen addition has little effect on hydrogen peroxide decay.

Describing the Components of the Water Transport in the Martian Atmosphere

Science.gov (United States)

Montmessin, F.; Haberle, R. M.; forget, F.; Rannou, P.; Cabane, M.

2003-01-01

In this paper, we examine the meteorological components driving water transport in the Martian atmosphere. A particular emphasis is given to the role of residual mean circulation and water ice clouds in determining the geographical partitioning of water vapor and frost.

Field-scale water flow and solute transport : SWAP model concepts, parameter estimation and case studies = [Waterstroming en transport van opgeloste stoffen op veldschaal

NARCIS (Netherlands)

Dam, van J.C.

2000-01-01

Water flow and solute transport in top soils are important elements in many environmental studies. The agro- and ecohydrological model SWAP (Soil-Water-Plant-Atmosphere) has been developed to simulate simultaneously water flow, solute transport, heat flow and crop growth at field scale

Effect of sunlight, transport and storage vessels on drinking water ...

African Journals Online (AJOL)

Effect of sunlight, transport and storage vessels on drinking water quality in rural Ghana. ... on drinking water quality in rural Ghana. K Obiri-Danso, E Amevor, LA Andoh, K Jones ... Full Text: EMAIL FREE FULL TEXT EMAIL FREE FULL TEXT

Studies on kinetics of water quality factors to establish water transparency model in Neijiang River, China.

Science.gov (United States)

Li, Ronghui; Pan, Wei; Guo, Jinchuan; Pang, Yong; Wu, Jianqiang; Li, Yiping; Pan, Baozhu; Ji, Yong; Ding, Ling

2014-05-01

The basis for submerged plant restoration in surface water is to research the complicated dynamic mechanism of water transparency. In this paper, through the impact factor analysis of water transparency, the suspended sediment, dissolved organic matter, algae were determined as three main impactfactors for water transparency of Neijiang River in Eastern China. And the multiple regression equation of water transparency and sediment concentration, permanganate index, chlorophyll-a concentration was developed. Considering the complicated transport and transformation of suspended sediment, dissolved organic matter and algae, numerical model of them were developed respectively for simulating the dynamic process. Water transparency numerical model was finally developed by coupling the sediment, water quality, and algae model. These results showed that suspended sediment was a key factor influencing water transparency of Neijiang River, the influence of water quality indicated by chemical oxygen demand and algal concentration indicated by chlorophyll a were indeterminate when their concentrations were lower, the influence was more obvious when high concentrations are available, such three factors showed direct influence on water transparency.

Influential factors of formation kinetics of flocs produced by water treatment coagulants.

Science.gov (United States)

Wu, Chunde; Wang, Lin; Hu, Bing; Ye, Jian

2013-05-01

The growth rate and size of floc formation is of great importance in water treatment especially in coagulation process. The floc formation kinetics and the coagulation efficiency of synthetic water were investigated by using an on-line continuous optical photometric dispersion analyze and the analysis of water quality. Experimental conditions such as alum dosage, pH value for coagulation, stirring intensity and initial turbidity were extensively examined. The photometric dispersion analyze results showed that coagulation of kaolin suspensions with two coagulants (alum and polyaluminium chloride) could be taken as a two-phase process: slow and rapid growth periods. Operating conditions with higher coagulant doses, appropriate pH and average shear rate might be particularly advantageous. The rate of overall floc growth was mainly determined by a combination of hydraulic and water quality conditions such as pH and turbidity. The measurement of zeta potential indicates that polyaluminium chloride exhibited higher charge-neutralizing ability than alum and achieved lower turbidities than alum for equivalent Al dosages. Under the same operating conditions, the alum showed a higher grow rate, but with smaller floc size.

NH4+ adsorption and adsorption kinetics by sediments in a drinking water reservoir

Directory of Open Access Journals (Sweden)

Suna Hongyan

2016-12-01

Full Text Available The sorption isotherm and sorption kinetics of NH4+ by the Fen River reservoir sediment were investigated for a better understanding of the NH4+ sorption characteristics and parameters. The results showed that Q (adsorption content increased with the increase of Ceq (equilibrium concentration, sorption isotherms could be described by Freundlich equation (R2 from 0.97 to 0.99. Cation exchange capacity (CEC had a significant correlation with the parameters K and n (R2 was 0.85 and 0.95, respectively. The ENC0 (Ceq as Q was zero of S1, S2, S3 and S4 was 1.25, 0.57, 1.15 and 1.14 mg L-1, respectively, and they were less than the NH4+ concentrations in reservoir water. The sediments released NH4+ to the Fen River reservoir water and acted as a pollution source, in the form of complex and heterogeneous adsorbents. The NH4+ adsorption kinetic process was composed of ‘fast’ and ‘slow’ reaction patterns and could be fitted using both Elovich equation and Pseudo second-equation. More than one-step may be involved in the NH4+ sorption processes, and interior diffusion was not dominant ion action.

Microbial Species Diversity, Community Dynamics, and Metabolite Kinetics of Water Kefir Fermentation

Science.gov (United States)

Laureys, David

2014-01-01

Water kefir is a sour, alcoholic, and fruity fermented beverage of which the fermentation is started with water kefir grains. These water kefir grains consist of polysaccharide and contain the microorganisms responsible for the water kefir fermentation. In this work, a water kefir fermentation process was followed as a function of time during 192 h to unravel the community dynamics, the species diversity, and the kinetics of substrate consumption and metabolite production. The majority of the water kefir ecosystem was found to be present on the water kefir grains. The most important microbial species present were Lactobacillus casei/paracasei, Lactobacillus harbinensis, Lactobacillus hilgardii, Bifidobacterium psychraerophilum/crudilactis, Saccharomyces cerevisiae, and Dekkera bruxellensis. The microbial species diversities in the water kefir liquor and on the water kefir grains were similar and remained stable during the whole fermentation process. The major substrate, sucrose, was completely converted after 24 h of fermentation, which coincided with the production of the major part of the water kefir grain polysaccharide. The main metabolites of the fermentation were ethanol and lactic acid. Glycerol, acetic acid, and mannitol were produced in low concentrations. The major part of these metabolites was produced during the first 72 h of fermentation, during which the pH decreased from 4.26 to 3.45. The most prevalent volatile aroma compounds were ethyl acetate, isoamyl acetate, ethyl hexanoate, ethyl octanoate, and ethyl decanoate, which might be of significance with respect to the aroma of the end product. PMID:24532061

Microbial species diversity, community dynamics, and metabolite kinetics of water kefir fermentation.

Science.gov (United States)

Laureys, David; De Vuyst, Luc

2014-04-01

Water kefir is a sour, alcoholic, and fruity fermented beverage of which the fermentation is started with water kefir grains. These water kefir grains consist of polysaccharide and contain the microorganisms responsible for the water kefir fermentation. In this work, a water kefir fermentation process was followed as a function of time during 192 h to unravel the community dynamics, the species diversity, and the kinetics of substrate consumption and metabolite production. The majority of the water kefir ecosystem was found to be present on the water kefir grains. The most important microbial species present were Lactobacillus casei/paracasei, Lactobacillus harbinensis, Lactobacillus hilgardii, Bifidobacterium psychraerophilum/crudilactis, Saccharomyces cerevisiae, and Dekkera bruxellensis. The microbial species diversities in the water kefir liquor and on the water kefir grains were similar and remained stable during the whole fermentation process. The major substrate, sucrose, was completely converted after 24 h of fermentation, which coincided with the production of the major part of the water kefir grain polysaccharide. The main metabolites of the fermentation were ethanol and lactic acid. Glycerol, acetic acid, and mannitol were produced in low concentrations. The major part of these metabolites was produced during the first 72 h of fermentation, during which the pH decreased from 4.26 to 3.45. The most prevalent volatile aroma compounds were ethyl acetate, isoamyl acetate, ethyl hexanoate, ethyl octanoate, and ethyl decanoate, which might be of significance with respect to the aroma of the end product.

Numerical Calculation of Transport Based on the Drift Kinetic Equation for plasmas in General Toroidal Magnetic Geometry

International Nuclear Information System (INIS)

Reynolds, J. M.; Lopez-Bruna, D.

2009-01-01

This report is the first of a series dedicated to the numerical calculation of the evolution of fusion plasmas in general toroidal geometry, including TJ-II plasmas. A kinetic treatment has been chosen: the evolution equation of the distribution function of one or several plasma species is solved in guiding center coordinates. The distribution function is written as a Maxwellian one modulated by polynomial series in the kinetic coordinates with no other approximations than those of the guiding center itself and the computation capabilities. The code allows also for the inclusion of the three-dimensional electrostatic potential in a self-consistent manner, but the initial objective has been set to solving only the neoclassical transport. A high order conservative method (Spectral Difference Method) has been chosen in order to discretized the equation for its numerical solution. In this first report, in addition to justifying the work, the evolution equation and its approximations are described, as well as the baseline of the numerical procedures. (Author) 28 refs

Protein Exposed Hydrophobicity Reduces the Kinetic Barrier for Adsorption of Ovalbumin to the Air-Water Interface

NARCIS (Netherlands)

Wierenga, P.A.; Meinders, M.B.J.; Egmond, M.R.; Voragen, F.A.G.J.; Jongh, H.H.J. de

2003-01-01

Using native and caprylated ovalbumin, the role of exposed hydrophobicity on the kinetics of protein adsorption to the air - water interface is studied. First, changes in the chemical properties of the protein upon caprylation were characterized followed by measurement of the changes in adsorption

Protein exposed hydrophobicity reduces the kinetic barrier for adsoption of ovalbumin to the air-water interface.

NARCIS (Netherlands)

Wierenga, P.A.; Meinders, M.B.J.; Egmond, M.R.; Voragen, A.G.J.

2003-01-01

Using native and caprylated ovalbumin, the role of exposed hydrophobicity on the kinetics of protein adsorption to the air-water interface is studied. First, changes in the chemical properties of the protein upon caprylation were characterized followed by measurement of the changes in adsorption

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

OpenAIRE

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 wa...

Simulating liquid water for determining its structural and transport properties

International Nuclear Information System (INIS)

Arismendi-Arrieta, Daniel; Medina, Juan S.; Fanourgakis, George S.; Prosmiti, Rita; Delgado-Barrio, Gerardo

2014-01-01

Molecular dynamics simulations are carried out for calculating structural and transport properties of pure liquid water, such as radial distribution functions and self-diffusion and viscosity coefficients, respectively. We employed reparameterized versions of the ab initio water potential by Niesar, Clementi and Corongiu (NCC). In order to investigate the role of the electrostatic contribution, the partial charges of the NCC model are adjusted so that to reproduce the dipole moment values of the SPC/E, SPC/Fw and TIP4P/2005 water models. The single and collective transport coefficients are obtained by employing the Green–Kubo relations at various temperatures. Additionally, in order to overcome convergence difficulties arising from the long correlation times of the stress-tensor autocorrelation functions, a previously reported fitting scheme was employed. The present results indicate that there is a significant relationship between the dipole moment value of the model, and the calculated transport coefficients. We found that by adjusting the molecular dipole moment of the NCC to the value of the TIP4P/2005, the obtained values for the self-diffusion and viscosity coefficients are in better agreement with experiment, compared to the values obtained with the original NCC model. Even though the predictions of the present model exhibits an overall correct behavior, we conclude that further improvements are still required. In order to achieve that, a careful reparameterization of the repulsion–dispersion terms of the potential model is proposed. Also, the effect of the inclusion of many-body effects such as polarizability, should also be investigated. - Highlights: ► Transport properties of liquid water are important in bio-simulations. ► Self-diffusion coefficient, shear and bulk viscosities calculations from NVE molecular dynamics simulations. ► Their comparison with experimental data provides information on intermolecular forces, and serve to develop water

Development of a Life Cycle Inventory of Water Consumption Associated with the Production of Transportation Fuels

Energy Technology Data Exchange (ETDEWEB)

Lampert, David J. [Argonne National Lab. (ANL), Argonne, IL (United States); Cai, Hao [Argonne National Lab. (ANL), Argonne, IL (United States); Wang, Zhichao [Argonne National Lab. (ANL), Argonne, IL (United States); Keisman, Jennifer [Argonne National Lab. (ANL), Argonne, IL (United States); Wu, May [Argonne National Lab. (ANL), Argonne, IL (United States); Han, Jeongwoo [Argonne National Lab. (ANL), Argonne, IL (United States); Dunn, Jennifer [Argonne National Lab. (ANL), Argonne, IL (United States); Sullivan, John L. [Argonne National Lab. (ANL), Argonne, IL (United States); Elgowainy, Amgad [Argonne National Lab. (ANL), Argonne, IL (United States); Wang, Michael [Argonne National Lab. (ANL), Argonne, IL (United States); Keisman, Jennifer [American Association for the Advancemetn of Science (AAAS), Washington, DC (United States)

2015-10-01

The production of all forms of energy consumes water. To meet increased energy demands, it is essential to quantify the amount of water consumed in the production of different forms of energy. By analyzing the water consumed in different technologies, it is possible to identify areas for improvement in water conservation and reduce water stress in energy-producing regions. The transportation sector is a major consumer of energy in the United States. Because of the relationships between water and energy, the sustainability of transportation is tied to management of water resources. Assessment of water consumption throughout the life cycle of a fuel is necessary to understand its water resource implications. To perform a comparative life cycle assessment of transportation fuels, it is necessary first to develop an inventory of the water consumed in each process in each production supply chain. The Greenhouse Gases, Regulated Emissions, and Energy Use in Transportation (GREET) model is an analytical tool that can used to estimate the full life-cycle environmental impacts of various transportation fuel pathways from wells to wheels. GREET is currently being expanded to include water consumption as a sustainability metric. The purpose of this report was to document data sources and methodologies to estimate water consumption factors (WCF) for the various transportation fuel pathways in GREET. WCFs reflect the quantity of freshwater directly consumed per unit production for various production processes in GREET. These factors do not include consumption of precipitation or low-quality water (e.g., seawater) and reflect only water that is consumed (i.e., not returned to the source from which it was withdrawn). The data in the report can be combined with GREET to compare the life cycle water consumption for different transportation fuels.

Model for tritiated water transport in soil

International Nuclear Information System (INIS)

Galeriu, D.; Paunescu, N.

1999-01-01

Chemical forms of tritium released from nuclear facilities are mostly water (HTO) and hydrogen (HT, TT). Elemental tritium is inert in vegetation and superior animals, but the microorganisms from soil oxidize HT to HTO. After an atmospheric HT emission, in short time an equivalent quantity of HTO is re-emitted from soil. In the vicinity of a tritium source the spatial and temporary distribution of HTO is dependent on the chemical form of tritium releases. During routine tritium releases (continuously and constant releases), the local distribution of tritium reaches equilibrium, and specific activities of tritium in environmental compartments are almost equal. The situation is very different after an accidental emission. Having in view, harmful effects of tritium when it is incorporated into the body several models were developed for environmental tritium transport and dose assessment. The tritium transport into the soil is an important part of the environmental tritium behavior, but, unfortunately, in spite of the importance of this problem the corresponding modeling is unsatisfactory. The aim of this paper was the improvement of the TRICAIAP model, and the application of the model to BIOMOVS scenario. The BIOMOVS scenario predicts HTO concentrations in soil during 30 days, after one hour atmospheric HTO emission. The most important conclusions of the paper are: the principal carrier of tritium into the soil is water; the transfer processes are the reactions of water in soil and the diffusion due to concentration gradient; atmosphere-soil transport is dependent of surface characteristics (granulation, humidity, roughness, etc.); the conversion rate of HT to HTO is not well known and is dependent on active microorganism concentration in soil and on soil humidity. More experimental data are needed to decrease the uncertainty of transfer parameter, for the definition of the influence of vegetation, etc. (authors)

BiOI/TiO2-nanorod array heterojunction solar cell: Growth, charge transport kinetics and photoelectrochemical properties

International Nuclear Information System (INIS)

Wang, Lingyun; Daoud, Walid A.

2015-01-01

Highlights: • BiOI/TiO 2 photoanodes were fabricated by a simple solvothermal/hydrothermal method. • BiOI/TiO 2 (PVP) showed a 13-fold increase in photocurrent density compared to TiO 2 . • Charge transport kinetics within the BiOI/TiO 2 heterojunctions are discussed. - Abstract: A series of BiOI/TiO 2 -nanorod array photoanodes were grown on fluorine-doped tin oxide (FTO) glass using a simple two-step solvothermal/hydrothermal method. The effects of the hydrothermal process, such as TiO 2 nanorod growth time, BiOI concentration and the role of surfactant, polyvinylpyrrolidone (PVP), on the growth of BiOI, were investigated. The heterojunctions were characterized by X-ray diffraction, UV–vis absorbance spectroscopy and scanning electron microscopy. The photoelectrochemical properties of the as-grown junctions, such as linear sweep voltammetry (LSV) behavior, photocurrent response and incident photon-to-electron conversion efficiency (IPCE) under Xenon lamp illumination, are presented. The cell with BiOI/TiO 2 (PVP) as photoanode can reach a short current density (J sc ) of 0.13 mA/cm 2 and open circuit voltage (V oc ) of 0.46 V vs. Ag/AgCl under the irradiation of a 300 W Xenon lamp. Compared to bare TiO 2 , the IPCE of BiOI/TiO 2 (PVP) increased 4–5 times at 380 nm. Furthermore, the charge transport kinetics within the heterojunction is also discussed

Modeling water flow and solute transport in unsaturated zone inside NSRAWD project

International Nuclear Information System (INIS)

Constantin, A.; Diaconu, D.; Bucur, C.; Genty, A.

2015-01-01

The NSRAWD project (2010-2013) - Numerical Simulations for Radioactive Waste Disposal was initiated under a collaboration agreement between the Institute for Nuclear Research and the French Alternative Energies and Atomic Energy Commission (CEA). The context of the project was favorable to combine the modeling activities with an experimental part in order to improve and validate the numerical models used so far to simulate water flow and solute transport at Saligny site, Romania. The numerical models developed in the project were refined and validated on new hydrological data gathered between 2010-2012 by a monitoring station existent on site which performs automatic determination of soil water content and matrix potential, as well as several climate parameters (wind, temperature and precipitations). Water flow and solute transport was modeled in transient conditions, by taking into consideration, as well as neglecting the evapotranspiration phenomenon, on the basis of a tracer test launched on site. The determination of dispersivities for solute transport was targeted from the solute plume. The paper presents the main results achieved in the NSRAWD project related to water flow and solute transport in the unsaturated area of the Saligny site. The results indicated satisfactory predictions for the simulation of water flow in the unsaturated area, in steady state and transient conditions. In the case of tracer transport modeling, dispersivity coefficients could not be finally well fitted for the data measured on site and in order to obtain a realistic preview over the values of these parameters, further investigations are recommended. The article is followed by the slides of the presentation

Transport mechanisms in capillary condensation of water at a single-asperity nanoscopic contact.

Science.gov (United States)

Sirghi, Lucel

2012-02-07

Transport mechanisms involved in capillary condensation of water menisci in nanoscopic gaps between hydrophilic surfaces are investigated theoretically and experimentally by atomic force microscopy (AFM) measurements of capillary force. The measurements showed an instantaneous formation of a water meniscus by coalescence of the water layers adsorbed on the AFM tip and sample surfaces, followed by a time evolution of meniscus toward a stationary state corresponding to thermodynamic equilibrium. This dynamics of the water meniscus is indicated by time evolution of the meniscus force, which increases with the contact time toward its equilibrium value. Two water transport mechanisms competing in this meniscus dynamics are considered: (1) Knudsen diffusion and condensation of water molecules in the nanoscopic gap and (2) adsorption of water molecules on the surface region around the contact and flow of the surface water toward the meniscus. For the case of very hydrophilic surfaces, the dominant role of surface water transportation on the meniscus dynamics is supported by the results of the AFM measurements of capillary force of water menisci formed at sliding tip-sample contacts. These measurements revealed that fast movement of the contact impedes on the formation of menisci at thermodynamic equilibrium because the flow of the surface water is too slow to reach the moving meniscus.

Axial and radial water transport and internal water storage in tropical forest canopy trees.

Science.gov (United States)

Shelley A. James; Frederick C. Meinzer; Guillermo Goldstein; David Woodruff; Timothy Jones; Teresa Restom; Monica Mejia; Michael Clearwater; Paula. Campanello

2003-01-01

Heat and stable isotope tracers were used to study axial and radial water transport in relation to sapwood anatomical characteristics and internal water storage in four canopy tree species of a seasonally dry tropical forest in Panama. Anatomical characteristics of the wood and radial profiles of sap flow were measured at the base, upper trunk, and crown of a single...

Mathematical model of water transport in Bacon and alkaline matrix-type hydrogen-oxygen fuel cells

Science.gov (United States)

Prokopius, P. R.; Easter, R. W.

1972-01-01

Based on general mass continuity and diffusive transport equations, a mathematical model was developed that simulates the transport of water in Bacon and alkaline-matrix fuel cells. The derived model was validated by using it to analytically reproduce various Bacon and matrix-cell experimental water transport transients.

Water Transport in Lower Hillsborough Bay, Florida, 1995-96

National Research Council Canada - National Science Library

Levesque, Victor A; Hammett, K. M

1997-01-01

.... Beginning in December 1994, a series of reconnaissance measurements were made to define the probable maximum extent of the area where it could be possible to discern water transport associated...

Ozonation and H2O2/UV treatment of clofibric acid in water: a kinetic investigation.

Science.gov (United States)

Andreozzi, Roberto; Caprio, Vincenzo; Marotta, Raffaele; Radovnikovic, Anita

2003-10-31

The presence of pharmaceuticals or their active metabolites in surface and ground waters has been recently reported as mainly due to an incomplete removal of these pollutants in sewage treatment plants (STP). Advanced oxidation processes may represent a suitable tool to reduce environmental release of these species by enhancing the global efficiency of reduction of pharmaceuticals in the municipal sewage plant effluents. The present work aims at assessing the kinetics of abatement from aqueous solutions of clofibric acid (a metabolite of the blood lipid regulator clofibrate) which has been found in surface, ground and drinking waters. Ozonation and hydrogen peroxide photolysis are capable of fast removal of this species in aqueous solution, with an almost complete conversion of the organic chlorine content into chloride ions for the investigated reaction conditions. A validation of assessed kinetics at clofibric acid concentrations as low as those found in STP effluents is presented for both systems.

Assessment the effect of homogenized soil on soil hydraulic properties and soil water transport

Science.gov (United States)

Mohawesh, O.; Janssen, M.; Maaitah, O.; Lennartz, B.

2017-09-01

Soil hydraulic properties play a crucial role in simulating water flow and contaminant transport. Soil hydraulic properties are commonly measured using homogenized soil samples. However, soil structure has a significant effect on the soil ability to retain and to conduct water, particularly in aggregated soils. In order to determine the effect of soil homogenization on soil hydraulic properties and soil water transport, undisturbed soil samples were carefully collected. Five different soil structures were identified: Angular-blocky, Crumble, Angular-blocky (different soil texture), Granular, and subangular-blocky. The soil hydraulic properties were determined for undisturbed and homogenized soil samples for each soil structure. The soil hydraulic properties were used to model soil water transport using HYDRUS-1D.The homogenized soil samples showed a significant increase in wide pores (wCP) and a decrease in narrow pores (nCP). The wCP increased by 95.6, 141.2, 391.6, 3.9, 261.3%, and nCP decreased by 69.5, 10.5, 33.8, 72.7, and 39.3% for homogenized soil samples compared to undisturbed soil samples. The soil water retention curves exhibited a significant decrease in water holding capacity for homogenized soil samples compared with the undisturbed soil samples. The homogenized soil samples showed also a decrease in soil hydraulic conductivity. The simulated results showed that water movement and distribution were affected by soil homogenizing. Moreover, soil homogenizing affected soil hydraulic properties and soil water transport. However, field studies are being needed to find the effect of these differences on water, chemical, and pollutant transport under several scenarios.

Pore-scale investigation of mass transport and electrochemistry in a solid oxide fuel cell anode

Energy Technology Data Exchange (ETDEWEB)

Grew, Kyle N.; Joshi, Abhijit S.; Peracchio, Aldo A.; Chiu, Wilson K.S. [Department of Mechanical Engineering, University of Connecticut, 191 Auditorium Road, Storrs, CT 06269-3139 (United States)

2010-04-15

The development and validation of a model for the study of pore-scale transport phenomena and electrochemistry in a Solid Oxide Fuel Cell (SOFC) anode are presented in this work. This model couples mass transport processes with a detailed reaction mechanism, which is used to model the electrochemical oxidation kinetics. Detailed electrochemical oxidation reaction kinetics, which is known to occur in the vicinity of the three-phase boundary (TPB) interfaces, is discretely considered in this work. The TPB regions connect percolating regions of electronic and ionic conducting phases of the anode, nickel (Ni) and yttria-stabilized zirconia (YSZ), respectively; with porous regions supporting mass transport of the fuel and product. A two-dimensional (2D), multi-species lattice Boltzmann method (LBM) is used to describe the diffusion process in complex pore structures that are representative of the SOFC anode. This diffusion model is discretely coupled to a kinetic electrochemical oxidation mechanism using localized flux boundary conditions. The details of the oxidation kinetics are prescribed as a function of applied activation overpotential and the localized hydrogen and water mole fractions. This development effort is aimed at understanding the effects of the anode microstructure within TPB regions. This work describes the methods used so that future studies can consider the details of SOFC anode microstructure. (author)

Kinetics of marine surfactant adsorption at an air water interface. Baltic Sea studies

Directory of Open Access Journals (Sweden)

Stanis³aw J. Pogorzelski

2001-12-01

Full Text Available The paper contains the results of studies of natural surface film adsorption kinetics carried out in inland waters and in shallow offshore regions of the Baltic Sea during 2000-01 under calm sea conditions. The novel approach presented here for the adsorption dynamics is based on the mixed kinetic-diffusion model and analyses of the surface pressure-time plots at short (t ->0 and long( t -> ∞ adsorption time intervals. Values of the effective relative diffusion coefficient Deff / D (= 0.008-0.607 and energy barrier for adsorption Ea / RT (= 0.49-7.10 agree well with the data reported for model non-ionic surfactant solutions of pre-cmc concentrations. Wind speed is one of the factors affecting the adsorption barrier via the increased surface pressure of the natural film exposed to wind shear stress (~ U102, and enters the relation Ea / RT = 1.70 U101/3.

Some analytic diagnostic models for transport processes in estuarine and coastal waters

International Nuclear Information System (INIS)

Suarez Antola, R.

2001-03-01

Advection and dispersion processes in estuarine and coastal waters are briefly reviewed. Beginning from the basic macroscopic equations of transport for a substance diluted or suspended in the considered body of water,several levels of filtering in time and space are described and applied to obtain suitable diagnostic mathematical models both with scale effects and gaussian.The solutions of the aforementioned models,for initial distributions and boundary conditions with enough symmetry,are discussed, as well as their applications to a parameter characterization of the transport properties of the receiving body of water

Lagrangian study of transport of subarctic water across the Subpolar Front in the Japan Sea

Science.gov (United States)

Prants, Sergey V.; Uleysky, Michael Yu.; Budyansky, Maxim V.

2018-05-01

The southward near-surface transport of transformed subarctic water across the Subpolar Front in the Japan Sea is simulated and analyzed based on altimeter data from January 1, 1993 to December 31, 2017. Computing Lagrangian indicators for a large number of synthetic particles, advected by the AVISO velocity field, we find preferred transport pathways across the Subpolar Front. The southward transport occurs mainly in the central part of the frontal zone due to suitable dispositions of mesoscale eddies promoting propagation of subarctic water to the south. It is documented with the help of Lagrangian origin and L-maps and verified by the tracks of available drifters. The transport of transformed subarctic water to the south is compared with the transport of transformed subtropical water to the north simulated by Prants et al. (Nonlinear Process Geophys 24(1):89-99, 2017c).

Kinetics of corrosion products release from nickel-base alloys corroding in primary water conditions. A new modeling of release

International Nuclear Information System (INIS)

Carrette, F.; Guinard, L.; Pieraggi, B.

2002-01-01

The radioactivity in the primary circuit arises mainly from the activation of corrosion products in the core of pressurised water reactors; corrosion products dissolve from the oxide scales developed on steam generator tubes of alloy 690. The controlling and modelling of this process require a detailed knowledge of the microstructure and chemical composition of oxide scales as well as the kinetics of their corrosion and dissolution. Alloy 690 was studied as tubes and sheets, with three various surface states (as-received, cold-worked, electropolished). Corrosion tests were performed at 325 C and 155 bar in primary water conditions (B/Li - 1000/2 ppm, [H 2 ] 30 cm 3 .kg -1 TPN, [O 2 ] < 5 ppb); test durations ranged between 24 and 2160 hours. Corrosion tests in the TITANE loop provided mainly corrosion and oxidation kinetics, and tests in the BOREAL loop yielded release kinetics. This study revealed asymptotic type kinetics. Characterisation of the oxide scales grown in representative conditions of the primary circuit was performed by several techniques (SEM, TEM, SIMS, XPS, GIXRD). These analyses revealed the essential role of the fine grained cold-worked scale present on as-received and cold-worked materials. This scale controls the corrosion and release phenomena. The kinetic study and the characterisation of the oxide scales contributed to the modelling of the corrosion/release process. A growth/dissolution model was proposed for corrosion product scales grown in non-saturated dynamic fluid. This model provided the temporal evolution of oxide scales and release kinetics for different species (Fe, Ni, Cr). The model was validated for several surface states and several alloys. (authors)

Transient analysis of carbon monoxide transport phenomena and adsorption kinetics in HT-PEMFC during dynamic current extraction

International Nuclear Information System (INIS)

Raj, Kamal Abdul Rasheedj; Chan, Siew Hwa

2015-01-01

Highlights: • Increasing the fuel cell temperature reduces outlet CO concentration. • Increasing the CO inlet (initial) concentration increases outlet CO concentration. • Increasing current density step and dwell time increases outlet CO concentration. • Increasing in the CL and GDL porosities reduces outlet CO concentration. - Abstract: This paper investigates the transport phenomena of carbon monoxide (CO) and adsorption kinetics, in a high-temperature proton exchange membrane fuel cell (HT-PEMFC) during step-wise current extraction (step-change in current extraction). Step-wise current extraction is a common process done to accommodate a sudden power surge during an operation. Since HT-PEMFCs are capable of handling high impurity of CO, hydrogen fuel that is contaminated with trace amount of CO is usually considered for commercial benefits. Thus, a transient three-dimensional isothermal anodic electro-kinetic numerical model is developed to determine the effect of operating parameters such as fuel cell temperature, CO inlet (initial) concentration, step-change of current density and dwell time on the transport phenomena of CO and adsorption kinetics. In addition, geometrical factors such as the catalyst layer (CL) and gas diffusion layer (GDL) porosity are also varied as well. The results show that the above-mentioned operating parameters can affect the maximum CO concentration at the CL, especially at the outlet of the channel. Specifically, a reduction of fuel cell temperature can significantly increase the CO concentration near the outlet, while increasing CO inlet (initial) concentration, step-change amplitude of current density and current density dwell time can cause an increase in CO concentration at the outlet, albeit to different extent. In addition, the increase in the porosity of CL and GDL, results in the reduction of the maximum CO concentration at the outlet, albeit to different extent. In addition, the CO and hydrogen surface coverage

Theory of kinetics and equilibrium of ion exchange-adsorption and mechanism of extracting uranium from sea-water with titanic gel

International Nuclear Information System (INIS)

Ai Hongtao

1989-01-01

An isothermal equation for ion exchange-adsorption is derived by mass action law. The equation can be used to sum up empirical and semiempirical formulas of the exchange adsorption, such as Gapon Equation, Sips Formula, Langmuir Equation and Freundlich Formula. In this paper, by adopting the ion exchange reaction to act as the determining step of the ion exchange adsorption kinetics, and exchange-adsorption kinetics equation is derived. It is verified by he results of a series of experiments in which uranium is extracted form enriched sea-water and natural sea-water with hydrous titanium oxide (titanic gel). This equation can be used to explain not only the results of test which have been applied to prove fast intraparticle diffusion of liquid film deffusion mechanism, but also test data which can be expalined by the co-controlling fast intraparticle and liquid film diffusion, and the kinetic data which can not be clarified by diffusion mechanism. It is proposed that the mechanism of the exchange adsorption of uranium from sea-water with titanic gel is a cationic exchange reaction. A method for calculating the quantity of exchange-adsorption at equilibrium is also given

Calibration of Linked Hydrodynamic and Water Quality Model for Santa Margarita Lagoon

Science.gov (United States)

2016-07-01

was used to drive the transport and water quality kinetics for the simulation of 2007–2009. The sand berm, which controlled the opening/closure of...TECHNICAL REPORT 3015 July 2016 Calibration of Linked Hydrodynamic and Water Quality Model for Santa Margarita Lagoon Final Report Pei...Linked Hydrodynamic and Water Quality Model for Santa Margarita Lagoon Final Report Pei-Fang Wang Chuck Katz Ripan Barua SSC Pacific James

Pupils' Response to a Model for Water Transport.

Science.gov (United States)

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

1981-01-01

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

Speciation and transport of radionuclides in ground water

International Nuclear Information System (INIS)

Robertson, D.E.; Toste, A.P.; Abel, K.H.; Cowan, C.E.; Jenne, E.A.; Thomas, C.W.

1984-01-01

Studies of the chemical speciation of a number of radionuclides migrating in a slightly contaminated ground water plume are identifying the most mobile species and providing an opportunity to test and/or validate geochemical models of radionuclide transport in ground waters. Results to date have shown that most of the migrating radionuclides are present in anionic or nonionic forms. These include anionic forms of 55 Fe, 60 Co, /sup 99m/Tc, 106 Ru, 131 I, and nonionic forms of 63 Ni and 125 Sb. Strontium-70 and a small fraction of the mobile 60 Co are the only cationic radionuclides which have been detected moving in the ground water plume beyond 30 meters from the source. A comparison of the observed chemical forms with the predicted species calculated from modeling thermodynamic data and ground water chemical parameters has indicated a good agreement for most of the radioelements in the system, including Tc, Np, Cs, Sr, Ce, Ru, Sb, Zn, and Mn. The discrepancies between observed and calculated solutions species were noted for Fe, Co, Ni and I. Traces of Fe, Co, and Ni were observed to migrate in anionic or nonionic forms which the calculations failed to predict. These anionic/nonionic species may be organic complexes having enhanced mobility in ground waters. The radioiodine, for example, was shown to behave totally as an anion but further investigation revealed that 49-57% of this anionic iodine was organically bound. The ground water and aqueous extracts of trench sediments contain a wide variety of organic compounds, some of which could serve as complexing agents for the radionuclides. These results indicate the need for further research at a variety of field sites in defining precisely the chemical forms of the mobile radionuclide species, and in better understanding the role of dissolved organic materials in ground water transport of radionuclides

Kinetic and equilibrium aspects of adsorption and desorption of class II hydrophobins HFBI and HFBII at silicon oxynitride/water and air/water interfaces.

Science.gov (United States)

Krivosheeva, Olga; Dėdinaitė, Andra; Linder, Markus B; Tilton, Robert D; Claesson, Per M

2013-02-26

Hydrophobins are relatively small globular proteins produced by filamentous fungi. They display unusual high surface activity and are implied as mediators of attachment to surfaces, which has resulted in high scientific and technological interest. In this work we focus on kinetic and equilibrium aspects of adsorption and desorption properties of two representatives of class II hydrophobins, namely HFBI and HFBII, at a negatively charged hydrophilic solid/water interface and at the air/water interface. The layers formed at the air/liquid interface were examined in a Langmuir trough, whereas layers formed at the solid/liquid interface were studied using dual polarization interferometry (DPI) under different flow conditions. For comparison, another globular protein, lysozyme, was also investigated. It was found that both the adsorbed amount and the adsorption kinetics were different for HFBI and HFBII, and the adsorption behavior of both hydrophobins on the negatively charged surface displayed some unusual features. For instance, even though the adsorption rate for HFBI was slowed down with increasing adsorbed amount as expected from packing constraints at the interface, the adsorption kinetics curves for HFBII displayed a region indicating adsorption cooperativity. Further, it was found that hydrophobin layers formed under flow partly desorbed when the flow was stopped, and the desorption rate for HFBII was enhanced in the presence of hydrophobins in solution.

Nature of the elements transporting long-chain fatty acids through the red cell membrane

DEFF Research Database (Denmark)

Bojesen, Inge Norby; Bojesen, Eigil

1998-01-01

Docosahexaenoic acid, linoleic acid, red cell membrane, transporting elements, transport kinetics, fatty acid transport......Docosahexaenoic acid, linoleic acid, red cell membrane, transporting elements, transport kinetics, fatty acid transport...

Managing erosion, sediment transport and water quality in drained peatland catchments

Energy Technology Data Exchange (ETDEWEB)

Marttila, H.

2010-07-01

Peatland drainage changes catchment conditions and increases the transport of suspended solids (SS) and nutrients. New knowledge and management methods are needed to reduce SS loading from these areas. This thesis examines sediment delivery and erosion processes in a number of peatland drainage areas and catchments in order to determine the effects of drainage on sediment and erosion dynamics and mechanics. Results from studies performed in peat mining, peatland forestry and disturbed headwater catchments in Finland are presented and potential sediment load management methods are discussed for drainage areas and headwater brooks. Particular attention is devoted to erosion of organic peat, sediment transport and methods to reduce the impacts of peatland drainage in boreal headwaters. This thesis consists of six articles. The first and second papers focus on the erosion and sediment transport processes at peat harvesting and peatland forestry drainage networks. The results indicate that in-channel processes are important in drained peatland, since the drainage network often constitutes temporary inter-storm storage for eroding and transporting material. Sediment properties determine the bed sediment erosion sensitivity, as fluffy organic peat sediment consolidates over time. As flashiness and peak runoff control sediment entrainment and transport from drained peatland areas, water quality management should include peak runoff management. The third, fourth and fifth papers studies use and application of peak runoff control (PRC) method to the peat harvesting and peatland forestry conditions for water protection. Results indicate that effective water quality management in drained peatland areas can be achieved using this method. Installation of the PRC structures is a useful and cost-effective way of storing storm runoff waters temporarily in the ditch system and providing a retention time for eroded sediment to settle to the ditch bed and drainage network. The main

Water-Level Data Analysis for the Saturated Zone Site-Scale Flow and Transport Model

International Nuclear Information System (INIS)

Tucci, P.

2001-01-01

This Analysis/Model Report (AMR) documents an updated analysis of water-level data performed to provide the saturated-zone, site-scale flow and transport model (CRWMS M and O 2000) with the configuration of the potentiometric surface, target water-level data, and hydraulic gradients for model calibration. The previous analysis was presented in ANL-NBS-HS-000034, Rev 00 ICN 01, Water-Level Data Analysis for the Saturated Zone Site-Scale Flow and Transport Model (USGS 2001). This analysis is designed to use updated water-level data as the basis for estimating water-level altitudes and the potentiometric surface in the SZ site-scale flow and transport model domain. The objectives of this revision are to develop computer files containing (1) water-level data within the model area (DTN: GS010908312332.002), (2) a table of known vertical head differences (DTN: GS0109083 12332.003), and (3) a potentiometric-surface map (DTN: GS010608312332.001) using an alternate concept from that presented in ANL-NBS-HS-000034, Rev 00 ICN 01 for the area north of Yucca Mountain. The updated water-level data include data obtained from the Nye County Early Warning Drilling Program (EWDP) and data from borehole USW WT-24. In addition to being utilized by the SZ site-scale flow and transport model, the water-level data and potentiometric-surface map contained within this report will be available to other government agencies and water users for ground-water management purposes. The potentiometric surface defines an upper boundary of the site-scale flow model, as well as provides information useful to estimation of the magnitude and direction of lateral ground-water flow within the flow system. Therefore, the analysis documented in this revision is important to SZ flow and transport calculations in support of total system performance assessment

Simulation of water movement and NaCl transport

International Nuclear Information System (INIS)

Li Xun; Zheng Zhihong; Yang Zeping

2008-01-01

Modeling of water flow and solute transport in the near-field of a high-level radioactive waste repository with TOUGH2 is done. The results show that salt accumulation in buffer material is not so significant, precipitation does not occur throughout the period covered by our simualtions. Further more, the changeable law of volumetric water content, liquid velocity and dissolved concentration of sodium chloride with simulated time or distance are attained, which is the base of understanding evolvement of near-field. (authors)

Estrone-1-sulphate (E1S) has impact on the kinetics parameters of transporter mediated taurine and glutamate influx in Caco-2 cells

DEFF Research Database (Denmark)

Steffansen, Bente; El-Sayed, F

Previously, we have suggested estrone-1-sulfate (E1S) to be intercalated into the phospholipid membrane 1,2-dipalmitoyl-sn-glycero-3-phospho-choline (DPPC). The overall hypothesis of the present study was that E1S intercalation in the cell membrane of Caco-2 cells may changes the functionality...... of membrane transporters. The aim was therefore to investigate if addition of E1S to the growth medium of Caco-2 cells before but not during the influx study, change the kinetic parameters of transporter-mediated influx of taurine and glutamate by respective TAUT and EAAT transporters. The results show that 4...

Transport mechanism of an initially spherical droplet on a combined hydrophilic/hydrophobic surface

Energy Technology Data Exchange (ETDEWEB)

Myong, Hyon Kook; Kwon, Young Hoo [Dept. of Mechanical Engineering, Kookmin University, Seoul (Korea, Republic of)

2015-11-15

Fluid transport is a key issue in the development of microfluidic systems. Recently, Myong (2014) has proposed a new concept for droplet transport without external power sources, and numerically validated the results for a hypothetical 2D shape, initially having a hemicylindrical droplet shape. Myong and Kwon (2015) have also examined the transport mechanism for an actual water droplet, initially having a 3D hemispherical shape, on a horizontal hydrophilic/hydrophobic surface, based on the numerical results of the time evolution of the droplet shape, as well as the total kinetic, gravitational, pressure and surface free energies inside the droplet. In this study, a 3D numerical analysis of an initially spherical droplet is carried out to establish a new concept for droplet transport. Further, the transport mechanism of an actual water droplet is examined in detail from the viewpoint of the capillarity force imbalance through the numerical results of droplet shape and various energies inside the droplet.

Kinetic theory of gases and plasmas

International Nuclear Information System (INIS)

Schram, P.P.J.M.

1991-01-01

Kinetic theory provides the link between the non-equilibrium statistical mechanics of many-particle systems and macroscopic or phenomenological physics. This volume deals with the derivation of kinetic equations, their limitations and generalizations,and with the applications of kinetic theory to physical phenomena and the calculation of transport coefficients. This book is divided in 12 chapters which discuss a wide range of topics such as balanced equations, the Klimontovich, Vlasov-Maxwell, and Boltzmann equations, Chapman-Enskog theory, the kinetic theory of plasmas, B.G.K. models, linear response theory, Brownian motion and renormalized kinetic theory. Each chapter is concluded with exercises, which not only enable the readers to test their understanding of the theory, but also present additional examples which complement the text. 151 refs.; 35 figs.; 5 tabs

Transport kinetics of hydrogen permeable lanthanum tungstate

Energy Technology Data Exchange (ETDEWEB)

Falkenstein, Andreas

2017-01-24

The electrical conductivity relaxation technique is a widely used method to determine the oxygen transport parameters of mixed ionic-electronic conductors. In recent years, it has been modified to investigate the hydration behavior of proton conducting mixed conductors, giving access to up to four transport parameters in a single relaxation experiment, the diffusion coefficients and surface reaction rates of hydrogen and oxygen. In this work, the transport properties of the fluorite type protonic conductor lanthanum tungstate have been investigated by means of electrical conductivity relaxation. The experiments were performed in a temperature range from 650 C to 950 C, in a pO{sub 2} range from 3 mbar to 100 mbar and in a pH{sub 2}O range from 10 mbar to 100 mbar and in dry atmosphere. At high temperatures, the conductivity relaxation curve follows the expected two-fold non-monotonic behavior upon hydration. At low temperatures, however, the contribution of the fast hydrogen kinetic decreases and by a further decrease of the temperature, the relaxation shows two-fold monotonic behavior. The power factors - the contribution of each single fold relaxation curve to the resulting two-fold relaxation curve, which is a superposition - have been derived to explain the behavior mentioned above. The activation energy of the oxygen incorporation is rather low. Hence, oxidation experiments were performed in dry atmospheres in order to investigate if the origin of the oxygen species is relevant. The results revealed higher activation energies, which was expected, but also higher absolute values of the surface reaction rate and the diffusion coefficient. Oxidation experiments with increasing humidity revealed that the increased diffusivity cannot be attributed to the total concentrations of electron holes and proton interstitials. First experiments using spectroscopic relaxation, which is dependent on the concentration of hydroxy-anions only, were performed. Absorption bands

Impact of carbonation on water transport properties of cementitious materials

International Nuclear Information System (INIS)

Auroy, Martin

2014-01-01

Carbonation is a very well-known cementitious materials pathology. It is the major cause of reinforced concrete structures degradation. It leads to rebar corrosion and consequent concrete cover cracking. In the framework of radioactive waste management, cement-based materials used as building materials for structures or containers would be simultaneously submitted to drying and atmospheric carbonation. Although scientific literature regarding carbonating is vast, it is clearly lacking information about the influence of carbonation on water transport properties. This work then aimed at studying and understanding the change in water transport properties induced by carbonation. Simultaneously, the representativeness of accelerated carbonation (in the laboratory) was also studied. (author) [fr

A consistent description of kinetics and hydrodynamics of quantum Bose-systems

Directory of Open Access Journals (Sweden)

P.A.Hlushak

2004-01-01

Full Text Available A consistent approach to the description of kinetics and hydrodynamics of many-Boson systems is proposed. The generalized transport equations for strongly and weakly nonequilibrium Bose systems are obtained. Here we use the method of nonequilibrium statistical operator by D.N. Zubarev. New equations for the time distribution function of the quantum Bose system with a separate contribution from both the kinetic and potential energies of particle interactions are obtained. The generalized transport coefficients are determined accounting for the consistent description of kinetic and hydrodynamic processes.

Models of Fate and Transport of Pollutants in Surface Waters

Science.gov (United States)

Okome, Gloria Eloho

2013-01-01

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

Numerical analysis of coupled water transport in wood with a focus on the coupling parameter sorption

DEFF Research Database (Denmark)

Hozjan, T.; Turk, G.; Rodman, U.

2011-01-01

This paper presents a study of sorption rate function in a so-called multi-Fickian or multi-phase model. This model describes the complex moisture transport system in wood, which consists of separate water-vapour and bound-water diffusion interacting through sorption. In the numerical example inf...... influence of the sorption rate function on water transport is presented. It can be seen that the sorption rate function has a noticeable influence on coupled water transport in wood....

Measuring and modelling water transport on Skaftafellsheioi, Iceland

NARCIS (Netherlands)

Dijksma, R.; Avis, Lisette

2017-01-01

Areas with thick basaltic aquifers are used for drinking water supply and irrigation purposes, such as the Columbia River Basalt group in northwest USA and the Deccan Traps in India. However, rainfall-runoff processes in these basaltic areas are poorly understood. Cooling joints can transport large

Measuring Transport of Water Across the Peritoneal Membrane

Czech Academy of Sciences Publication Activity Database

Asghar, R. B.; Diskin, A. M.; Španěl, Patrik; Smith, D.; Davies, S. J.

2003-01-01

Roč. 64, - (2003), s. 1911-1915 ISSN 0085-2538 R&D Projects: GA ČR GA202/03/0827 Institutional research plan: CEZ:AV0Z4040901 Keywords : deuterium * total body water * solute transport Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 5.302, year: 2003

Monthly Variation of Taiwan Strait Through-flow Transports and Associated Water Masses

Science.gov (United States)

Jan, S.; Sheu, D.; Kuo, H.

2005-05-01

Through-flow transports and associated water masses are analyzed using current data measured by bottom-mounted and ship-board ADCP (1999-2001) across the central Taiwan Strait and strait-wide hydrographic data acquired from 79 CTD survey cruises (1986-2003). The East Asian monsoon, from southwest in July to August and northeast in October to March, controls the transport fluctuation which peaks in August (2.34 Sv northward), is hampered by the northeast monsoon after September and diminishes to the minimum (0.26 Sv southward) in December. The standard deviation of the calculated transport ranges from 0.56 to 1.05 Sv during northeast monsoon months and is relatively small in other months. A cluster analysis together with conventional T-S diagrams identifies the saline and warm Kuroshio Branch Water (KBW), the less saline South China Sea Surface Water (SCSSW), the brackish and cold China Coastal Water (CCW), the saline Subsurface Water (SW) (depth > 100 m) and the Diluted Coastal Water (DCW). The majority of the northward transport in summer carries the SCSSW to the East China Sea. Meanwhile, the DCW appears off the northwest bank of the strait and the SW resides in the bottom layer of a deep trench in the southeastern strait. The onset of the northeast monsoon in September drives the CCW from the Yangtze river mouth to the northern strait. In the southern strait, the northward-moving KBW replaces the SCSSW and meets the southward-intruding CCW in the middle strait during November to April.

Osmoregulation and epithelial water transport: lessons from the intestine of marine teleost fish.

Science.gov (United States)

Whittamore, Jonathan M

2012-01-01

For teleost fish living in seawater, drinking the surrounding medium is necessary to avoid dehydration. This is a key component of their osmoregulatory strategy presenting the challenge of excreting excess salts while achieving a net retention of water. The intestine has an established role in osmoregulation, and its ability to effectively absorb fluid is crucial to compensating for water losses to the hyperosmotic environment. Despite this, the potential for the teleost intestine to serve as a comparative model for detailed, integrative experimental studies on epithelial water transport has so far gone largely untapped. The following review aims to present an assessment of the teleost intestine as a fluid-transporting epithelium. Beginning with a brief overview of marine teleost osmoregulation, emphasis shifts to the processing of ingested seawater by the gastrointestinal tract and the characteristics of intestinal ion and fluid transport. Particular attention is given to acid-base transfers by the intestine, specifically bicarbonate secretion, which creates the distinctly alkaline gut fluids responsible for the formation of solid calcium carbonate precipitates. The respective contributions of these unique features to intestinal fluid absorption, alongside other recognised ion transport processes, are then subsequently considered within the wider context of the classic physiological problem of epithelial water transport.

A kinetic study of the reaction of water vapor and carbon dioxide on uranium

International Nuclear Information System (INIS)

Santon, J.P.

1964-09-01

The kinetic study of the reaction of water vapour and carbon dioxide with uranium has been performed by thermogravimetric methods at temperatures between 160 and 410 deg G in the first case, 350 and 1050 deg C in the second: Three sorts of uranium specimens were used: uranium powder, thin evaporated films, and small spheres obtained from a plasma furnace. The experimental results led in the case of water vapour, to a linear rate of reaction controlled by diffusion at the lower temperatures, and by a surface reaction at the upper ones. In the case of carbon dioxide, a parabolic law has been found, controlled by diffusional processes. (author) [fr

Wetting kinetics of water nano-droplet containing non-surfactant nanoparticles: A molecular dynamics study

International Nuclear Information System (INIS)

Lu, Gui; Hu, Han; Sun, Ying; Duan, Yuanyuan

2013-01-01

In this Letter, dynamic wetting of water nano-droplets containing non-surfactant gold nanoparticles on a gold substrate is examined via molecular dynamics simulations. The results show that the addition of non-surfactant nanoparticles hinders the nano-second droplet wetting process, attributed to the increases in both surface tension of the nanofluid and friction between nanofluid and substrate. The droplet wetting kinetics decreases with increasing nanoparticle loading and water-particle interaction energy. The observed wetting suppression and the absence of nanoparticle ordering near the contact line of nano-sized droplets differ from the wetting behaviors reported from nanofluid droplets of micron size or larger

Erosion and Sediment Transport Modelling in Shallow Waters: A Review on Approaches, Models and Applications

Directory of Open Access Journals (Sweden)

Mohammad Hajigholizadeh

2018-03-01

Full Text Available The erosion and sediment transport processes in shallow waters, which are discussed in this paper, begin when water droplets hit the soil surface. The transport mechanism caused by the consequent rainfall-runoff process determines the amount of generated sediment that can be transferred downslope. Many significant studies and models are performed to investigate these processes, which differ in terms of their effecting factors, approaches, inputs and outputs, model structure and the manner that these processes represent. This paper attempts to review the related literature concerning sediment transport modelling in shallow waters. A classification based on the representational processes of the soil erosion and sediment transport models (empirical, conceptual, physical and hybrid is adopted, and the commonly-used models and their characteristics are listed. This review is expected to be of interest to researchers and soil and water conservation managers who are working on erosion and sediment transport phenomena in shallow waters. The paper format should be helpful for practitioners to identify and generally characterize the types of available models, their strengths and their basic scope of applicability.

Erosion and Sediment Transport Modelling in Shallow Waters: A Review on Approaches, Models and Applications.

Science.gov (United States)

Hajigholizadeh, Mohammad; Melesse, Assefa M; Fuentes, Hector R

2018-03-14

The erosion and sediment transport processes in shallow waters, which are discussed in this paper, begin when water droplets hit the soil surface. The transport mechanism caused by the consequent rainfall-runoff process determines the amount of generated sediment that can be transferred downslope. Many significant studies and models are performed to investigate these processes, which differ in terms of their effecting factors, approaches, inputs and outputs, model structure and the manner that these processes represent. This paper attempts to review the related literature concerning sediment transport modelling in shallow waters. A classification based on the representational processes of the soil erosion and sediment transport models (empirical, conceptual, physical and hybrid) is adopted, and the commonly-used models and their characteristics are listed. This review is expected to be of interest to researchers and soil and water conservation managers who are working on erosion and sediment transport phenomena in shallow waters. The paper format should be helpful for practitioners to identify and generally characterize the types of available models, their strengths and their basic scope of applicability.

VS2DRTI: Simulating Heat and Reactive Solute Transport in Variably Saturated Porous Media.

Science.gov (United States)

Healy, Richard W; Haile, Sosina S; Parkhurst, David L; Charlton, Scott R

2018-01-29

Variably saturated groundwater flow, heat transport, and solute transport are important processes in environmental phenomena, such as the natural evolution of water chemistry of aquifers and streams, the storage of radioactive waste in a geologic repository, the contamination of water resources from acid-rock drainage, and the geologic sequestration of carbon dioxide. Up to now, our ability to simulate these processes simultaneously with fully coupled reactive transport models has been limited to complex and often difficult-to-use models. To address the need for a simple and easy-to-use model, the VS2DRTI software package has been developed for simulating water flow, heat transport, and reactive solute transport through variably saturated porous media. The underlying numerical model, VS2DRT, was created by coupling the flow and transport capabilities of the VS2DT and VS2DH models with the equilibrium and kinetic reaction capabilities of PhreeqcRM. Flow capabilities include two-dimensional, constant-density, variably saturated flow; transport capabilities include both heat and multicomponent solute transport; and the reaction capabilities are a complete implementation of geochemical reactions of PHREEQC. The graphical user interface includes a preprocessor for building simulations and a postprocessor for visual display of simulation results. To demonstrate the simulation of multiple processes, the model is applied to a hypothetical example of injection of heated waste water to an aquifer with temperature-dependent cation exchange. VS2DRTI is freely available public domain software. © 2018, National Ground Water Association.

Water transport and functional dynamics of aquaporins in osmoregulatory organs of fishes

DEFF Research Database (Denmark)

Madsen, Steffen S; Engelund, Morten B; Cutler, Christopher P

2015-01-01

salty desert lakes, the challenge to obtain consensus as well as specific knowledge about aquaporin physiology in these vertebrate clades is overwhelming. Because the integumental surfaces of these animals are in intimate contact with the surrounding milieu, passive water loss and uptake represent two......Aquaporins play distinct roles for water transport in fishes as they do in mammals-both at the cellular, organ, and organismal levels. However, with over 32,000 known species of fishes inhabiting almost every aquatic environment, from tidal pools, small mountain streams, to the oceans and extreme...... of the major osmoregulatory challenges that need compensation. However, neither obligatory nor regulatory water transport nor their mechanisms have been elucidated to the same degree as, for example, ion transport in fishes. Currently fewer than 60 papers address fish aquaporins. Most of these papers identify...

Some in-reactor loop experiments on corrosion product transport and water chemistry

International Nuclear Information System (INIS)

Balakrishnan, P.V.; Allison, G.M.

1978-01-01

A study of the transport of activated corrosion products in the heat transport circuit of pressurized water-cooled nuclear reactors using an in-reactor loop showed that the concentration of particulate and dissolved corrosion products in the high-temperature water depends on such chemical parameters as pH and dissolved hydrogen concentration. Transients in these parameters, as well as in temperature, generally increase the concentration of suspended corrosion products. The maximum concentration of particles observed is much reduced when high-flow, high-temperature filtration is used. Filtration also reduces the steady-state concentration of particles. Dissolved corrosion products are mainly responsible for activity accumulation on surfaces. The data obtained from this study were used to estimate the rate constants for some of the transfer processes involved in the contamination of the primary heat transport circuit in water-cooled nuclear power reactors

Implementation of Solute Transport in the Vadose Zone into the `HYDRUS Package for MODFLOW'

Science.gov (United States)

Simunek, J.; Beegum, S.; Szymkiewicz, A.; Sudheer, K. P.

2017-12-01

The 'HYDRUS package for MODFLOW' was developed by Seo et al. (2007) and Twarakavi et al. (2008) to simultaneously evaluate transient water flow in both unsaturated and saturated zones. The package, which is based on the HYDRUS-1D model (Šimůnek et al., 2016) simulating unsaturated water flow in the vadose zone, was incorporated into MODFLOW (Harbaugh et al., 2000) simulating saturated groundwater flow. The HYDRUS package in the coupled model can be used to represent the effects of various unsaturated zone processes, including infiltration, evaporation, root water uptake, capillary rise, and recharge in homogeneous or layered soil profiles. The coupled model is effective in addressing spatially-variable saturated-unsaturated hydrological processes at the regional scale, allowing for complex layering in the unsaturated zone, spatially and temporarily variable water fluxes at the soil surface and in the root zone, and with alternating recharge and discharge fluxes (Twarakavi et al., 2008). One of the major limitations of the coupled model was that it could not be used to simulate at the same time solute transport. However, solute transport is highly dependent on water table fluctuations due to temporal and spatial variations in groundwater recharge. This is an important concern when the coupled model is used for analyzing groundwater contamination due to transport through the unsaturated zone. The objective of this study is to integrate the solute transport model (the solute transport part of HYDRUS-1D for the unsaturated zone and MT3DMS (Zheng and Wang, 1999; Zheng, 2009) for the saturated zone) into an existing coupled water flow model. The unsaturated zone component of the coupled model can consider solute transport involving many biogeochemical processes and reactions, including first-order degradation, volatilization, linear or nonlinear sorption, one-site kinetic sorption, two-site sorption, and two-kinetic sites sorption (Šimůnek and van Genuchten, 2008

Stochastic foundations of undulatory transport phenomena: generalized Poisson-Kac processes—part III extensions and applications to kinetic theory and transport

Science.gov (United States)

Giona, Massimiliano; Brasiello, Antonio; Crescitelli, Silvestro

2017-08-01

This third part extends the theory of Generalized Poisson-Kac (GPK) processes to nonlinear stochastic models and to a continuum of states. Nonlinearity is treated in two ways: (i) as a dependence of the parameters (intensity of the stochastic velocity, transition rates) of the stochastic perturbation on the state variable, similarly to the case of nonlinear Langevin equations, and (ii) as the dependence of the stochastic microdynamic equations of motion on the statistical description of the process itself (nonlinear Fokker-Planck-Kac models). Several numerical and physical examples illustrate the theory. Gathering nonlinearity and a continuum of states, GPK theory provides a stochastic derivation of the nonlinear Boltzmann equation, furnishing a positive answer to the Kac’s program in kinetic theory. The transition from stochastic microdynamics to transport theory within the framework of the GPK paradigm is also addressed.

Stochastic foundations of undulatory transport phenomena: generalized Poisson–Kac processes—part III extensions and applications to kinetic theory and transport

International Nuclear Information System (INIS)

Giona, Massimiliano; Brasiello, Antonio; Crescitelli, Silvestro

2017-01-01

This third part extends the theory of Generalized Poisson–Kac (GPK) processes to nonlinear stochastic models and to a continuum of states. Nonlinearity is treated in two ways: (i) as a dependence of the parameters (intensity of the stochastic velocity, transition rates) of the stochastic perturbation on the state variable, similarly to the case of nonlinear Langevin equations, and (ii) as the dependence of the stochastic microdynamic equations of motion on the statistical description of the process itself (nonlinear Fokker–Planck–Kac models). Several numerical and physical examples illustrate the theory. Gathering nonlinearity and a continuum of states, GPK theory provides a stochastic derivation of the nonlinear Boltzmann equation, furnishing a positive answer to the Kac’s program in kinetic theory. The transition from stochastic microdynamics to transport theory within the framework of the GPK paradigm is also addressed. (paper)

Plasma kinetics and biodistribution of water-soluble CdTe quantum dots in mice: a comparison between Cd and Te

International Nuclear Information System (INIS)

Han Ying; Xie Guangyun; Sun Zhiwei; Mu Ying; Han Sihai; Xiao Yang; Liu Na; Wang Hui; Guo Caixia; Shi Zhixiong; Li Yanbo; Huang Peili

2011-01-01

Water-soluble quantum dots (QDs) have shown potential as tumor diagnostic agents. However, little is known about their biological behaviors in vivo. Male ICR mice were intravenously given a single dose (2.5 μmol kg −1 body weight) of water-soluble cadmium–telluride (CdTe) QDs (the QDs are approximately 4 nm in diameter and have maximal emission at 630 nm). Inductively coupled plasma mass spectrometry (ICP-MS) was used for measuring the kinetic action of 111 Cd and 125 Te for 7 days. The plasma kinetics of Cd and Te followed a two-compartment model, in which Cd exhibited greater apparent volume of distribution, greater clearance, faster distribution half-life, and significantly slower elimination half-life compared to Te. Contrary to its relatively transient fate in the plasma, high levels of Cd persisted in the liver and kidneys. Te accumulated primarily in the spleen. The different plasma kinetics and distribution patterns of Cd and Te imply that CdTe QDs have been part of the degradation or aggregation in vivo.

Molecular Dynamics Investigation of Cl− and Water Transport through a Eukaryotic CLC Transporter

Science.gov (United States)

Cheng, Mary Hongying; Coalson, Rob D.

2012-01-01

Early crystal structures of prokaryotic CLC proteins identified three Cl– binding sites: internal (Sint), central (Scen), and external (Sext). A conserved external GLU (GLUex) residue acts as a gate competing for Sext. Recently, the first crystal structure of a eukaryotic transporter, CmCLC, revealed that in this transporter GLUex competes instead for Scen. Here, we use molecular dynamics simulations to investigate Cl– transport through CmCLC. The gating and Cl–/H+ transport cycle are inferred through comparative molecular dynamics simulations with protonated and deprotonated GLUex in the presence/absence of external potentials. Adaptive biasing force calculations are employed to estimate the potential of mean force profiles associated with transport of a Cl– ion from Sext to Sint, depending on the Cl– occupancy of other sites. Our simulations demonstrate that protonation of GLUex is essential for Cl– transport from Sext to Scen. The Scen site may be occupied by two Cl– ions simultaneously due to a high energy barrier (∼8 Kcal/mol) for a single Cl– ion to translocate from Scen to Sint. Binding two Cl– ions to Scen induces a continuous water wire from Scen to the extracellular solution through the side chain of the GLUex gate. This may initiate deprotonation of GLUex, which then drives the two Cl– ions out of Scen toward the intracellular side via two putative Cl– transport paths. Finally, a conformational cycle is proposed that would account for the exchange stoichiometry. PMID:22455919

Neutral particle kinetics in fusion devices

International Nuclear Information System (INIS)

Tendler, M.; Heifetz, D.

1986-05-01

The theory of neutral particle kinetics treats the transport of mass, momentum, and energy in a plasma due to neutral particles which themselves are unaffected by magnetic fields. This transport affects the global power and particle balances in fusion devices, as well as profile control and plasma confinement quality, particle and energy fluxes onto device components, performance of pumping systems, and the design of diagnostics and the interpretation of their measurements. This paper reviews the development of analytic, numerical, and Monte Carlo methods of solving the time-independent Boltzmann equation describing neutral kinetics. These models for neutral particle behavior typically use adaptations of techniques developed originally for computing neutron transport, due to the analogy between the two phenomena, where charge-exchange corresponds to scattering and ionization to absorption. Progress in the field depends on developing multidimensional analytic methods, and obtaining experimental data for the physical processes of wall reflection, the neutral/plasma interaction, and for processes in fusion devices which are directly related to neutral transport, such as H/sub α/ emission rates, plenum pressures, and charge-exchange emission spectra

Neutral particle kinetics in fusion devices

Energy Technology Data Exchange (ETDEWEB)

Tendler, M.; Heifetz, D.

1986-05-01

The theory of neutral particle kinetics treats the transport of mass, momentum, and energy in a plasma due to neutral particles which themselves are unaffected by magnetic fields. This transport affects the global power and particle balances in fusion devices, as well as profile control and plasma confinement quality, particle and energy fluxes onto device components, performance of pumping systems, and the design of diagnostics and the interpretation of their measurements. This paper reviews the development of analytic, numerical, and Monte Carlo methods of solving the time-independent Boltzmann equation describing neutral kinetics. These models for neutral particle behavior typically use adaptations of techniques developed originally for computing neutron transport, due to the analogy between the two phenomena, where charge-exchange corresponds to scattering and ionization to absorption. Progress in the field depends on developing multidimensional analytic methods, and obtaining experimental data for the physical processes of wall reflection, the neutral/plasma interaction, and for processes in fusion devices which are directly related to neutral transport, such as H/sub ..cap alpha../ emission rates, plenum pressures, and charge-exchange emission spectra.

Measurements of water uptake of maize roots: insights for traits that influence water transport from the soil

Science.gov (United States)

Ahmed, Mutez A.; Zarebanadkouki, Mohsen; Kroener, Eva; Carminati, Andrea

2015-04-01

Water availability is a primary constraint to the global crop production. Although maize (Zea mays L.) is one of the most important crops worldwide, there is limited information on the function of different root segments and types in extracting water from soils. Aim of this study was to investigate the location of water uptake in maize roots. We used neutron radiography to: 1) image the spatial distribution of maize roots in soil and 2) trace the transport of injected deuterated water (D2O) in soil and roots. Maize plants were grown in aluminum containers (40×38×1 cm) filled with sandy soil. The soil was partitioned into different compartments using 1-cm-thick layers of coarse sand. When the plants were two weeks-old we injected D2O into selected soil compartments. The experiments were performed during the day (transpiring plants) and night (non transpiring plants). The transport of D2O into roots was simulated using a convection-diffusion numerical model of D2O transport into roots. By fitting the observed D2O transport we quantified the diffusion coefficient and the water uptake of the different root segments. The maize root architecture consisted of a primary root, 4-5 seminal roots and many lateral roots connected to the primary and seminal roots. Laterals emerged from the proximal 15 cm of the primary and seminal roots. Both during day and night measurements, D2O entered more quickly into lateral roots than into primary and seminal roots. The quick transport of D2O into laterals was caused by the small radius of lateral roots. The diffusion coefficient of lateral roots (4.68×10-7cm2s-1)was similar to that of the distal segments of seminal roots (4.72×10-7cm2s-1) and higher than of the proximal segments (1.42×10-7cm2s-1). Water uptake of lateral roots (1.64×10-5cms-1)was much higher than that of the distal segments of seminal roots (1.18×10-12cms-1). Water uptake of the proximal seminal segments was negligible. We conclude that the function of lateral

Functional characterization of water transport and cellular localization of three aquaporin paralogs in the salmonid intestine

DEFF Research Database (Denmark)

Madsen, Steffen S; Olesen, Jesper H; Bedal, Konstanze

2011-01-01

Intestinal water absorption is greatly enhanced in salmonids upon acclimation from freshwater (FW) to seawater (SW); however, the molecular mechanism for water transport is unknown. We conducted a pharmacological characterization of water absorption in the rainbow trout intestine along......%), 0.1 ouabain (72%), and 0.1 bumetanide (82%) suggesting that active transport, Na(+), K(+)-ATPase and Na(+), K(+), 2Cl(-)-co-transport are involved in establishing the driving gradient for water transport. J(v) was also inhibited by 1 mmol L(-1) HgCl(2), serosally (23% in M and 44% in P), mucosally...... (27% in M), or both (61% in M and 58% in P), suggesting involvement of both apical and basolateral aquaporins in water transport. The inhibition was antagonized by 5 mmol L(-1) mercaptoethanol. By comparison, 10 mmol L(-1) mucosal tetraethylammonium, an inhibitor of certain aquaporins, inhibited J...

Dynamics of water transport and storage in conifers studied with deuterium and heat tracing techniques.

Science.gov (United States)

F.C. Meinzer; J.R. Brooks; J.-C. Domec; B.L. Gartner; J.M. Warren; D.R. Woodruff; K. Bible; D.C. Shaw

2006-01-01

The volume and complexity of their vascular systems make the dynamics of tong-distance water transport in large trees difficult to study. We used heat and deuterated water (D20) as tracers to characterize whole-tree water transport and storage properties in individual trees belonging to the coniferous species Pseudotsuga menziesii...

Transport phenomena

International Nuclear Information System (INIS)

Kirczenow, G.; Marro, J.

1974-01-01

Some simple remarks on the basis of transport theory. - Entropy, dynamics and scattering theory. - Response, relaxation and fluctuation. - Fluctuating hydrodynamics and renormalization of susceptibilities and transport coefficients. - Irreversibility of the transport equations. - Ergodic theory and statistical mechanics. - Correlation functions in Heisenberg magnets. - On the Enskog hard-sphere kinetic eqquation and the transport phenomena of dense simple gases. - What can one learn from Lorentz models. - Conductivity in a magnetic field. - Transport properties in gases in presence of external fields. - Transport properties of dilute gases with internal structure. (orig.) [de

Aluminum corrosion product release kinetics

Energy Technology Data Exchange (ETDEWEB)

Edwards, Matt, E-mail: Matthew.Edwards@cnl.ca; Semmler, Jaleh; Guzonas, Dave; Chen, Hui Qun; Toor, Arshad; Hoendermis, Seanna

2015-07-15

Highlights: • Release of Al corrosion product was measured in simulated post-LOCA sump solutions. • Increased boron was found to enhance Al release kinetics at similar pH. • Models of Al release as functions of time, temperature, and pH were developed. - Abstract: The kinetics of aluminum corrosion product release was examined in solutions representative of post-LOCA sump water for both pressurized water and pressurized heavy-water reactors. Coupons of AA 6061 T6 were exposed to solutions in the pH 7–11 range at 40, 60, 90 and 130 °C. Solution samples were analyzed by inductively coupled plasma atomic emission spectroscopy, and coupon samples were analyzed by secondary ion mass spectrometry. The results show a distinct “boron effect” on the release kinetics, expected to be caused by an increase in the solubility of the aluminum corrosion products. New models were developed to describe both sets of data as functions of temperature, time, and pH (where applicable)

Thermochemical conversion of biomass in smouldering combustion across scales: The roles of heterogeneous kinetics, oxygen and transport phenomena.

Science.gov (United States)

Huang, Xinyan; Rein, Guillermo

2016-05-01

The thermochemical conversion of biomass in smouldering combustion is investigated here by combining experiments and modeling at two scales: matter (1mg) and bench (100g) scales. Emphasis is put on the effect of oxygen (0-33vol.%) and oxidation reactions because these are poorly studied in the literature in comparison to pyrolysis. The results are obtained for peat as a representative biomass for which there is high-quality experimental data published previously. Three kinetic schemes are explored, including various steps of drying, pyrolysis and oxidation. The kinetic parameters are found using the Kissinger-Genetic Algorithm method, and then implemented in a one-dimensional model of heat and mass transfer. The predictions are validated with thermogravimetric and bench-scale experiments and then analyzed to unravel the role of heterogeneous reaction. This is the first time that the influence of oxygen on biomass smouldering is explained in terms of both chemistry and transport phenomena across scales. Copyright © 2016 The Authors. Published by Elsevier Ltd.. All rights reserved.

Water mass distributions and transports for the 2014 GEOVIDE cruise in the North Atlantic

Science.gov (United States)

García-Ibáñez, Maribel I.; Pérez, Fiz F.; Lherminier, Pascale; Zunino, Patricia; Mercier, Herlé; Tréguer, Paul

2018-04-01

We present the distribution of water masses along the GEOTRACES-GA01 section during the GEOVIDE cruise, which crossed the subpolar North Atlantic Ocean and the Labrador Sea in the summer of 2014. The water mass structure resulting from an extended optimum multiparameter (eOMP) analysis provides the framework for interpreting the observed distributions of trace elements and their isotopes. Central Waters and Subpolar Mode Waters (SPMW) dominated the upper part of the GEOTRACES-GA01 section. At intermediate depths, the dominant water mass was Labrador Sea Water, while the deep parts of the section were filled by Iceland-Scotland Overflow Water (ISOW) and North-East Atlantic Deep Water. We also evaluate the water mass volume transports across the 2014 OVIDE line (Portugal to Greenland section) by combining the water mass fractions resulting from the eOMP analysis with the absolute geostrophic velocity field estimated through a box inverse model. This allowed us to assess the relative contribution of each water mass to the transport across the section. Finally, we discuss the changes in the distribution and transport of water masses between the 2014 OVIDE line and the 2002-2010 mean state. At the upper and intermediate water levels, colder end-members of the water masses replaced the warmer ones in 2014 with respect to 2002-2010, in agreement with the long-term cooling of the North Atlantic Subpolar Gyre that started in the mid-2000s. Below 2000 dbar, ISOW increased its contribution in 2014 with respect to 2002-2010, with the increase being consistent with other estimates of ISOW transports along 58-59° N. We also observed an increase in SPMW in the East Greenland Irminger Current in 2014 with respect to 2002-2010, which supports the recent deep convection events in the Irminger Sea. From the assessment of the relative water mass contribution to the Atlantic Meridional Overturning Circulation (AMOC) across the OVIDE line, we conclude that the larger AMOC intensity in

Numerical investigations for insulation particle transport phenomena in water flow

International Nuclear Information System (INIS)

Krepper, E.; Grahn, A.; Alt, S.; Kaestner, W.; Kratzsch, A.; Seeliger, A.

2005-01-01

The investigation of insulation debris generation, transport and sedimentation gains importance regarding the reactor safety research for PWR and BWR considering the long term behaviour of emergency core coolant systems during all types of LOCA. The insulation debris released near the break during LOCA consists of a mixture of very different particles concerning size, shape, consistence and other properties. Some fraction of the released insulation debris will be transported into the reactor sump where it may affect emergency core cooling. Open questions of generic interest are e.g. the sedimentation of the insulation debris in a water pool, possible re-suspension, transport in the sump water flow, particle load on strainers and corresponding difference pressure. A joint research project in cooperation with Institute of Process Technology, Process Automation and Measuring Technology (IPM) Zittau deals with the experimental investigation and the development of CFD models for the description of particle transport phenomena in coolant flow. While experiments are performed at the IPM-Zittau, theoretical work is concentrated at Forschungszentrum Rossendorf. In the present paper the basic concepts for CFD modelling are described and first results including feasibility studies are shown. During the ongoing work further results are expected. (author)

Transport mechanism and regulatory properties of the human amino acid transporter ASCT2 (SLC1A5).

Science.gov (United States)

Scalise, Mariafrancesca; Pochini, Lorena; Panni, Simona; Pingitore, Piero; Hedfalk, Kristina; Indiveri, Cesare

2014-11-01

The kinetic mechanism of the transport catalyzed by the human glutamine/neutral amino acid transporter hASCT2 over-expressed in P. pastoris was determined in proteoliposomes by pseudo-bi-substrate kinetic analysis of the Na(+)-glutamineex/glutaminein transport reaction. A random simultaneous mechanism resulted from the experimental analysis. Purified functional hASCT2 was chemically cross-linked to a stable dimeric form. The oligomeric structure correlated well with the kinetic mechanism of transport. Half-saturation constants (Km) of the transporter for the other substrates Ala, Ser, Asn and Thr were measured both on the external and internal side. External Km were much lower than the internal ones confirming the asymmetry of the transporter. The electric nature of the transport reaction was determined imposing a negative inside membrane potential generated by K(+) gradients in the presence of valinomycin. The transport reaction resulted to be electrogenic and the electrogenicity originated from external Na(+). Internal Na(+) exerted a stimulatory effect on the transport activity which could be explained by a regulatory, not a counter-transport, effect. Native and deglycosylated hASCT2 extracted from HeLa showed the same transport features demonstrating that the glycosyl moiety has no role in transport function. Both in vitro and in vivo interactions of hASCT2 with the scaffold protein PDZK1 were revealed.

Wave-induced mass transport affects daily Escherichia coli fluctuations in nearshore water

Science.gov (United States)

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.

Finite-bias electronic transport of molecules in a water solution

KAUST Repository

Rungger, Ivan

2010-06-04

The effects of water wetting conditions on the transport properties of molecular nanojunctions are investigated theoretically by using a combination of empirical-potential molecular-dynamics and first-principles electronic-transport calculations. These are at the level of the nonequilibrium Green’s-function method implemented for self-interaction corrected density-functional theory. We find that water effectively produces electrostatic gating to the molecular junction with a gating potential determined by the time-averaged water dipole field. Such a field is large for the polar benzene-dithiol molecule, resulting in a transmission spectrum shifted by about 0.6 eV with respect to that of the dry junction. The situation is drastically different for carbon nanotubes (CNTs). In fact, because of their hydrophobic nature the gating is almost negligible so that the average transmission spectrum of wet Au/CNT/Au junctions is essentially the same as that in dry conditions. This suggests that CNTs can be used as molecular interconnects also in water-wet situations, for instance, as tips for scanning tunnel microscopy in solution or in biological sensors.

Finite-bias electronic transport of molecules in a water solution

KAUST Repository

Rungger, Ivan; Chen, X.; Sanvito, Stefano; Schwingenschlö gl, Udo

2010-01-01

The effects of water wetting conditions on the transport properties of molecular nanojunctions are investigated theoretically by using a combination of empirical-potential molecular-dynamics and first-principles electronic-transport calculations. These are at the level of the nonequilibrium Green’s-function method implemented for self-interaction corrected density-functional theory. We find that water effectively produces electrostatic gating to the molecular junction with a gating potential determined by the time-averaged water dipole field. Such a field is large for the polar benzene-dithiol molecule, resulting in a transmission spectrum shifted by about 0.6 eV with respect to that of the dry junction. The situation is drastically different for carbon nanotubes (CNTs). In fact, because of their hydrophobic nature the gating is almost negligible so that the average transmission spectrum of wet Au/CNT/Au junctions is essentially the same as that in dry conditions. This suggests that CNTs can be used as molecular interconnects also in water-wet situations, for instance, as tips for scanning tunnel microscopy in solution or in biological sensors.

Kinetics of potassium, rubidium and cesium in rat

International Nuclear Information System (INIS)

Natsuhori, Masahiro; Kosaka, Shigetoshi; Nishikawa, Miki; Okida, Masato; Ito, Nobuhiko

1998-01-01

Apparent incorporation rates of K and Rb into red blood cells were investigated in rats in consideration of passive diffusion to clarify in vivo kinetics of alkali metals. First, the incorporation rates of K and Rb into blood cells were determined by incubating blood samples from SD rat with 42 K and 86 Rb-buffers. And parameters involving in these incorporations such as Vmax (maximum rate of active transport), {S} (substrate concentration), Km (Michaelis constant), n (cooperativity of active transport), etc. were evaluated based on the time-course changes in K and Rb incorporation. Then, K and Rb were given to SD rats and the respective levels in plasma, red blood cells and urine were determined. The parameters were evaluated based on the time course changes in these levels by using compartment model. Similarly, the kinetics of Cs were investigated in rats. The absorption, distribution and disappearance of alkali metals were investigated in vivo to compare in vivo kinetics among the metals. By applying the kinetic parameters analyzed, Cs kinetics, in vivo could be estimated and Cs intake was able to be also estimated by determining the Cs levels of blood cells, urine and plasma. (M.N.)

The reaction kinetics of lithium salt with water vapor

International Nuclear Information System (INIS)

Balooch, M.; Dinh, L.N.; Calef, D.F.

2002-01-01

The interaction of lithium salt (LiH and/or LiD) with water vapor in the partial pressure range of 10 -5 -2657 Pa has been investigated. The reaction probability of water with LiH cleaved in an ultra high vacuum environment was obtained using the modulated molecular beam technique. This probability was 0.11 and independent of LiH surface temperature, suggesting a negligible activation energy for the reaction in agreement with quantum chemical calculations. The value gradually reduced, however, to 0.007 as the surface concentration of oxygen containing product approached full coverage. As the film grew beyond a monolayer, the phase lag of hydrogen product increased from 0 deg. C to 20 deg. C and the reaction probability reduced further until it approached our detection limit (∼10 -4 ). This phase lag was attributed to a diffusion-limited process in this regime. For micrometer thick hydroxide films grown in high moisture concentration environment on LiD and LiH, the reaction probability reduced to ∼4x10 -7 and was independent of exposure time. In this regime of thick hydroxide films (LiOH and/or LiOD), microcracks generated in the films to release stress provided easier pathways for moisture to reach the interface. A modified microscope, capable of both atomic force microscopy and nanoindentation, was also employed to investigate the surface morphology of hydroxide monohydrate (LiOH · H 2 O and/or LiOD · H 2 O) grown on hydroxide at high water vapor partial pressures and the kinetics of this growth

On the kinetic theory of the one-component plasma

International Nuclear Information System (INIS)

Cohen, J.S.

1984-01-01

In this thesis, kinetic theory is applied to transport phenomena of a one-component plasma. Existing kinetic equations, containing both dynamical screening effects and close binary collisions do not suffer from divergencies. Recently an approximation for the pair correlation function has been proposed that is valid for small values of the plasma collision parameter. Upon insertion of this expression into the general form of the collision integral, one obtains another convergent kinetic equation. This thesis shows that both kinetic equations yield the same coefficient of heat conductivity and viscosity; and that for a hot dilute plasma the arbitrary transport coefficient is rather insensitive to the pair correlation function. In the second part, the author studies the diffusion of a tagged particle in an external magnetic field. It is found that the longitudinal self-diffusion coefficient contra-varies monotonically with the magnetic field strength. (Auth.)

Water Transport in Trees--An Artificial Laboratory Tree

Science.gov (United States)

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

2011-01-01

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

Control of corrosion and aggression in drinking water systems.

Science.gov (United States)

Loewenthal, R E; Morrison, I; Wentzel, M C

2004-01-01

Corrosion and/or aggression are common problems arising in pipelines transporting terrestrial waters. The kinetics and severity of such events depend on both the quality of the water being transported and the material properties of the pipeline. Irrespective of the nature of the problem, its solution (or at least its minimisation) is strongly linked to control of pH, calcium concentration and carbonate chemistry of the water (stabilisation). However, application of such chemistry to water treatment problems is complex and time consuming. Various numerical, graphical and computer techniques have been developed to address this, but these are either of insufficient accuracy, too time consuming or lacking in generality. In this paper algorithms are presented for solving a broad spectrum of problems related to control of mineral precipitation/aggression, pH and chemical dosing in water treatment. These have been incorporated into a computer software package, STASOFT, which offers the requisite framework for use in water treatment. Various stabilisation problems pertinent to water supply are addressed.

Modeling and simulation of spin-polarized transport at the kinetic and diffusive level

International Nuclear Information System (INIS)

Possanner, S.

2012-01-01

The aim of this thesis is to contribute to the understanding of spin-induced phenomena in electron motion. These phenomena arise when electrons move through a (partially) magnetic environment, in such a way that its magnetic moment (spin) may interact with the surroundings. The pure quantum nature of the spin requires transport models that deal with effects like quantum coherence, entanglement (correlation) and quantum dissipation. On the meso- and macroscopic level it is not yet clear under which circumstances these quantum effects may transpire. The purpose of this work is, on the one hand, to derive novel spin transport models from basic principles and, on the other hand, to develop numerical algorithms that allow for a solution of these new and other existing model equations. The thesis consists of four parts. The first part comprises an overview of fundamental spin-related concepts in electronic transport such as the giant-magneto-resistance (GMR) effect, the spin-transfer torque in metallic magnetic multilayers and the matrix-character of transport equations that take spin-coherent electron states into account. In particular, we consider the diffusive Zhang-Levy-Fert (ZLF) model, an exchange-torque model that consists of the Landau-Lifshitz equation and a heuristic matrix spin-diffusion equation. A finite difference scheme based on Strang operator splitting is developed that enables a numerical, self-consistent solution of this non-linear system within multilayer structures. Finally, the model is tested by comparison of numerical results to recent experimental data. In part two we propose a matrix-Boltzmann equation that allows for the description of spin-coherent electron transport on a kinetic level. The novelty here is a linear collision operator in which the transition rates from momentum k to momentum k' are modeled by a 2x2 Hermitian matrix; hence the mean-free paths of spin-up and spin-down electrons are represented by the eigenvalues of this

Impact of carbonation on the durability of cementitious materials: water transport properties characterization