WorldWideScience

Sample records for water transport kinetics

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

    Science.gov (United States)

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

    2015-01-01

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

  2. Kinetic Theory and Simulation of Single-Channel Water Transport

    Science.gov (United States)

    Tajkhorshid, Emad; Zhu, Fangqiang; Schulten, Klaus

    Water translocation between various compartments of a system is a fundamental process in biology of all living cells and in a wide variety of technological problems. The process is of interest in different fields of physiology, physical chemistry, and physics, and many scientists have tried to describe the process through physical models. Owing to advances in computer simulation of molecular processes at an atomic level, water transport has been studied in a variety of molecular systems ranging from biological water channels to artificial nanotubes. While simulations have successfully described various kinetic aspects of water transport, offering a simple, unified model to describe trans-channel translocation of water turned out to be a nontrivial task.

  3. Modeling of radiocesium transport kinetics in system water-aquatic plants

    International Nuclear Information System (INIS)

    Svadlenkova, M.

    1988-01-01

    Compartment models were used to describe the kinetics of the transport of radionuclides in the system water-biomass of aquatic plants. Briefly described are linear models and models with time variable parameters. The model was tested using data from a locality in the environs of the Bohunice nuclear power plant. Cladophora glomerata algae were the monitored plants, 137 Cs the monitored radionuclide. The models may be used when aquatic plants serve as bioindicators of the radioactive contamination of surface waters, for monitoring the transport of radionuclides in food chains. (M.D.). 10 refs

  4. Influence of supplementary cementitious materials on water transport kinetics and mechanical properties of hydrated lime and cement mortars

    Directory of Open Access Journals (Sweden)

    Ince, C.

    2015-06-01

    Full Text Available The purpose of this paper is an investigation of the possible role of supplementary cementitious materials (SCMs on water transport kinetics and mechanical properties of hydrated lime (CL90 and Portland cement (PC mortars. The properties of hydrated lime are significantly different from those of cement and therefore modifying fresh and hardened properties of these mortars are vital for mortar/substrate optimisation in masonry construction. The parameters investigated in this paper often are the main barriers to the use of hydrated lime in construction practice. The results show that transfer sorptivity and time to dewater freshly-mixed hydrated lime mortars can be modified when binder is partially replaced with SCMs. Compressive strength of CL90 mortars is increased systematically with the increased replacement levels of SCMs and the results are supported with the microstructural images. The ability to modify the water transport kinetics and mechanical properties allows compatibility between the mortar and the substrate unit in masonry construction.El objetivo de este artículo es investigar el papel de los materiales cementantes suplementarios (SCMs en la cinética de transporte del agua y en las propiedades mecánicas de los morteros de cal hidratada (CL90 y cemento Portland. Las propiedades de la cal hidratada son significativamente diferentes a las del cemento y por lo tanto el control de las propiedades de los morteros frescos y endurecidos es fundamental en la optimización mortero/substrato en albañilería. Los parámetros estudiados en este trabajo son a menudo las principales barreras para el uso de la cal hidratada en la práctica de la construcción. Los resultados indican que la absortividad y el tiempo necesario para deshidratar morteros de cal hidratada recién mezclados pueden ser controlados cuando el conglomerante es parcialmente remplazado por SCMs. La resistencia a compresión de los morteros CL90 aumenta sistem

  5. Kinetic theory and transport phenomena

    CERN Document Server

    Soto, Rodrigo

    2016-01-01

    This textbook presents kinetic theory, which is a systematic approach to describing nonequilibrium systems. The text is balanced between the fundamental concepts of kinetic theory (irreversibility, transport processes, separation of time scales, conservations, coarse graining, distribution functions, etc.) and the results and predictions of the theory, where the relevant properties of different systems are computed. The book is organised in thematic chapters where different paradigmatic systems are studied. The specific features of these systems are described, building and analysing the appropriate kinetic equations. Specifically, the book considers the classical transport of charges, the dynamics of classical gases, Brownian motion, plasmas, and self-gravitating systems, quantum gases, the electronic transport in solids and, finally, semiconductors. Besides these systems that are studied in detail, concepts are applied to some modern examples including the quark–gluon plasma, the motion of bacterial suspen...

  6. Tissue kinetics, ion transport, and recruitment of mitochondria-rich cells in the skin of the toad (Bufo bufo) in response to exposure to distilled water

    DEFF Research Database (Denmark)

    Budtz, Poul Egede; Christoffersen, Betina C.; Johansen, Jesper S.

    1995-01-01

    Mitochondria-rich cells (MRC) of the amphibian epidermis are responsible for active chloride uptake at low external salinity, and new MRCs are recruited in response to exposure to distilled (deionized) water. The time-course of this recruitment, the tissue kinetics and ion transport have been...

  7. 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

  8. Water-transporting proteins

    DEFF Research Database (Denmark)

    Zeuthen, Thomas

    2010-01-01

    . In the K(+)/Cl(-) and the Na(+)/K(+)/2Cl(-) cotransporters, water is entirely cotransported, while water transport in glucose uniporters and Na(+)-coupled transporters of nutrients and neurotransmitters takes place by both osmosis and cotransport. The molecular mechanism behind cotransport of water...... transport. Epithelial water transport is energized by the movements of ions, but how the coupling takes place is uncertain. All epithelia can transport water uphill against an osmotic gradient, which is hard to explain by simple osmosis. Furthermore, genetic removal of aquaporins has not given support...... to osmosis as the exclusive mode of transport. Water cotransport can explain the coupling between ion and water transport, a major fraction of transepithelial water transport and uphill water transport. Aquaporins enhance water transport by utilizing osmotic gradients and cause the osmolarity...

  9. 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

  10. Kinetic studies of anomalous transport

    International Nuclear Information System (INIS)

    Tang, W.M.

    1990-11-01

    Progress in achieving a physics-based understanding of anomalous transport in toroidal systems has come in large part from investigations based on the proposition that low frequency electrostatic microinstabilities are dominant in the bulk (''confinement'') region of these plasmas. Although the presence here of drift-type modes dependent on trapped particle and ion temperature gradient driven effects appears to be consistent with a number of important observed confinement trends, conventional estimates for these instabilities cannot account for the strong current (I p ) and /or q-scaling frequently found in empirically deduced global energy confinement times for auxiliary-heated discharges. The present paper deals with both linear and nonlinear physics features, ignored in simpler estimates, which could introduce an appreciable local dependence on current. It is also pointed out that while the thermal flux characteristics of drift modes have justifiably been the focus of experimental studies assessing their relevance, other transport properties associated with these microinstabilities should additionally be examined. Accordingly, the present paper provides estimates and discusses the significance of anomalous energy exchange between ions and electrons when fluctuations are present. 19 refs., 3 figs

  11. 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...

  12. 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...

  13. The Kinetics of Carrier Transport Inhibition

    DEFF Research Database (Denmark)

    Rosenberg, T.; Wilbrandt, Robert Walter

    1962-01-01

    The kinetical treatment of enzymatic carrier transports as given in previous communications has been extended to conditions of inhibition. Various possible types of inhibitors have been considered differing in the site of attack (enzyme or carrier), in the mode of action (competing with the subst......The kinetical treatment of enzymatic carrier transports as given in previous communications has been extended to conditions of inhibition. Various possible types of inhibitors have been considered differing in the site of attack (enzyme or carrier), in the mode of action (competing...... with the substrate for the enzyme or the carrier or for both, competing with the carrier for the enzyme, or non-competitive) and in the ability of penetrating the membrane. Experiments are reported on the inhibition of glucose and fructose transport across the human red cell membrane by phlorizine, phloretine...... and polyphloretinephosphate. The results of the analysis for these inhibitors indicate a substrate competitive mode of action. The effect of reversing the transport direction by interchanging the substrate concentration has been treated for the case of a non-penetrating substrate competitive inhibitor in the external medium...

  14. 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.

  15. 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.

  16. A kinetic study of mercury(II transport through a membrane assisted by new transport reagent

    Directory of Open Access Journals (Sweden)

    Görgülü Ahmet

    2011-07-01

    Full Text Available Abstract Background A new organodithiophosphorus derivative, namely O-(1,3-Bispiperidino-2-propyl-4-methoxy phenyldithiophosphonate, was synthesized and then the kinetic behavior of the transport process as a function of concentration, temperature, stirring rate and solvents was investigated. Results The compound 1 was characterized by elemental analysis, IR, 1H and 31P NMR spectroscopies. The transport of mercury(II ion by a zwitterionic dithiophosphonate 1 in the liquid membrane was studied and the kinetic behavior of the transport process as a function of concentration, temperature, stirring rate and solvents was investigated. The compound 1 is expected to serve as a model liquid membrane transport with mercury(II ions. Conclusion A kinetic study of mercury(II transport through a membrane assisted by O-(1,3-Bispiperidino-2-propyl-4-methoxy phenyldithiophosphonate was performed. It can be concluded that the compound 1 can be provided a general and straightforward route to remove toxic metals ions such as mercury(II ion from water or other solution.

  17. 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....

  18. 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

  19. Accelerated Simulation of Kinetic Transport Using Variational Principles and Sparsity

    Energy Technology Data Exchange (ETDEWEB)

    Caflisch, Russel [Univ. of California, Los Angeles, CA (United States)

    2017-06-30

    This project is centered on the development and application of techniques of sparsity and compressed sensing for variational principles, PDEs and physics problems, in particular for kinetic transport. This included derivation of sparse modes for elliptic and parabolic problems coming from variational principles. The research results of this project are on methods for sparsity in differential equations and their applications and on application of sparsity ideas to kinetic transport of plasmas.

  20. 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

  1. 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...

  2. 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...

  3. 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…

  4. 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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2012-08-29

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

  6. 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.

  7. 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.

  8. 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 .

  9. Kinetic theory of nonlinear transport phenomena in complex plasmas

    International Nuclear Information System (INIS)

    Mishra, S. K.; Sodha, M. S.

    2013-01-01

    In contrast to the prevalent use of the phenomenological theory of transport phenomena, a number of transport properties of complex plasmas have been evaluated by using appropriate expressions, available from the kinetic theory, which are based on Boltzmann's transfer equation; in particular, the energy dependence of the electron collision frequency has been taken into account. Following the recent trend, the number and energy balance of all the constituents of the complex plasma and the charge balance on the particles is accounted for; the Ohmic loss has also been included in the energy balance of the electrons. The charging kinetics for the complex plasma comprising of uniformly dispersed dust particles, characterized by (i) uniform size and (ii) the Mathis, Rumpl, and Nordsieck power law of size distribution has been developed. Using appropriate expressions for the transport parameters based on the kinetic theory, the system of equations has been solved to investigate the parametric dependence of the complex plasma transport properties on the applied electric field and other plasma parameters; the results are graphically illustrated.

  10. 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.

  11. 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

  12. 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.

  13. 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...

  14. 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

  15. 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.

  16. Kinetics of proton transport in water

    DEFF Research Database (Denmark)

    Kornyshev, A.A.; Kuznetsov, A.M.; Spohr, E.

    2003-01-01

    for rationalizing the excess proton mobility, based on computer simulations, theory of proton transfer (PT) in condensed media, and analysis of classical proton conductivity experiments over broad temperature ranges. The mechanistic options involved are (i) classical hydrodynamic motion of the hydronium ion (H3O...... are brought into the framework of quantum mechanical PT theory in condensed media. Both the nature of the elementary act and the reaction coordinates are, however, different for the two types of PT clusters. The corresponding rate constants are calculated and compared with MD simulations. Within the framework...

  17. 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.

  18. 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.)

  19. 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)

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

    International Nuclear Information System (INIS)

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

    2007-01-01

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

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

    Science.gov (United States)

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

    2007-06-16

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

  2. 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)

  3. Radionuclide behavior in water saturated porous media: Diffusion and infiltration coupling of thermodynamically and kinetically controlled radionuclide water - mineral interactions

    International Nuclear Information System (INIS)

    Spasennykh, M.Yu.; Apps, J.A.

    1995-05-01

    A model is developed describing one dimensional radionuclide transport in porous media coupled with locally reversible radionuclide water-mineral exchange reactions and radioactive decay. Problems are considered in which radionuclide transport by diffusion and infiltration processes occur in cases where radionuclide water-solid interaction are kinetically and thermodynamically controlled. The limits of Sr-90 and Cs-137 migration are calculated over a wide range of the problem variables (infiltration velocity, distribution coefficients, and rate constants of water-mineral radionuclide exchange reactions)

  4. 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

  5. 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...

  6. Quantification of osmotic water transport in vivo using fluorescent albumin.

    Science.gov (United States)

    Morelle, Johann; Sow, Amadou; Vertommen, Didier; Jamar, François; Rippe, Bengt; Devuyst, Olivier

    2014-10-15

    Osmotic water transport across the peritoneal membrane is applied during peritoneal dialysis to remove the excess water accumulated in patients with end-stage renal disease. The discovery of aquaporin water channels and the generation of transgenic animals have stressed the need for novel and accurate methods to unravel molecular mechanisms of water permeability in vivo. Here, we describe the use of fluorescently labeled albumin as a reliable indicator of osmotic water transport across the peritoneal membrane in a well-established mouse model of peritoneal dialysis. After detailed evaluation of intraperitoneal tracer mass kinetics, the technique was validated against direct volumetry, considered as the gold standard. The pH-insensitive dye Alexa Fluor 555-albumin was applied to quantify osmotic water transport across the mouse peritoneal membrane resulting from modulating dialysate osmolality and genetic silencing of the water channel aquaporin-1 (AQP1). Quantification of osmotic water transport using Alexa Fluor 555-albumin closely correlated with direct volumetry and with estimations based on radioiodinated ((125)I) serum albumin (RISA). The low intraperitoneal pressure probably accounts for the negligible disappearance of the tracer from the peritoneal cavity in this model. Taken together, these data demonstrate the appropriateness of pH-insensitive Alexa Fluor 555-albumin as a practical and reliable intraperitoneal volume tracer to quantify osmotic water transport in vivo. Copyright © 2014 the American Physiological Society.

  7. 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

  8. 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.

  9. 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.

  10. Hydrogeochemical transport modeling of 24 years of Rhine water infiltration in the dunes of the Amsterdam Water Supply.

    NARCIS (Netherlands)

    van Breukelen, B.M.; Appelo, C.A.J.; Olsthoorn, T.N.

    1998-01-01

    Water quality changes were modelled along a flowpath in a plume of artificially recharged, pretreated Rhine water in the dunes of the Amsterdam Water Supply, after 24 years of infiltration. The hydrogeochemical transport model PHREEQC was extended with dispersion/diffusion and kinetics for selected

  11. 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

  12. Kinetics of proton migration in liquid water.

    Science.gov (United States)

    Chen, Hanning; Voth, Gregory A; Agmon, Noam

    2010-01-14

    We have utilized multistate empirical valence bond (MS-EVB3) simulations of protonated liquid water to calculate the relative mean-square displacement (MSD) and the history-independent time correlation function, c(t), of the hydrated proton center of excess charge (CEC) with respect to the water molecule on which it has initially resided. The MSD is nonlinear for the first 15 ps, suggesting that the relative diffusion coefficient increases from a small value, D(0), at short separations to its larger bulk value, D(infinity), at large separations. With the ensuing distance-dependent diffusion coefficient, D(r), the time dependence of both the MSD and c(t) agrees quantitatively with the solution of a diffusion equation for reversible geminate recombination. This suggests that the relative motion of the CEC is not independent from the nearby water molecules, in agreement with theoretical and experimental observations that large water clusters participate in the mechanism of proton mobility.

  13. 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.

  14. 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

  15. 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

  16. 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...

  17. 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)

  18. 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.

  19. 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...

  20. 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

  1. 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.

  2. 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...

  3. 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)...

  4. 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.

  5. Water transport in the brain

    DEFF Research Database (Denmark)

    MacAulay, N; Hamann, S; Zeuthen, T

    2004-01-01

    the number of cotransporters per cell and the unit water permeability are high. For example, the Na(+)-glutamate cotransporter (EAAT1) has a unit water permeability one tenth of that of aquaporin (AQP) 1. Cotransporters are widely distributed in the brain and participate in several vital functions: inorganic...

  6. 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

  7. 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 ...

  8. Montmorillonite dissolution kinetics: Experimental and reactive transport modeling interpretation

    Science.gov (United States)

    Cappelli, Chiara; Yokoyama, Shingo; Cama, Jordi; Huertas, F. Javier

    2018-04-01

    The dissolution kinetics of K-montmorillonite was studied at 25 °C, acidic pH (2-4) and 0.01 M ionic strength by means of well-mixed flow-through experiments. The variations of Si, Al and Mg over time resulted in high releases of Si and Mg and Al deficit, which yielded long periods of incongruent dissolution before reaching stoichiometric steady state. This behavior was caused by simultaneous dissolution of nanoparticles and cation exchange between the interlayer K and released Ca, Mg and Al and H. Since Si was only involved in the dissolution reaction, it was used to calculate steady-state dissolution rates, RSi, over a wide solution saturation state (ΔGr ranged from -5 to -40 kcal mol-1). The effects of pH and the degree of undersaturation (ΔGr) on the K-montmorillonite dissolution rate were determined using RSi. Employing dissolution rates farthest from equilibrium, the catalytic pH effect on the K-montmorillonite dissolution rate was expressed as Rdiss = k·aH0.56±0.05 whereas using all dissolution rates, the ΔGr effect was expressed as a non-linear f(ΔGr) function Rdiss = k · [1 - exp(-3.8 × 10-4 · (|ΔGr|/RT)2.13)] The functionality of this expression is similar to the equations reported for dissolution of Na-montmorillonite at pH 3 and 50 °C (Metz, 2001) and Na-K-Ca-montmorillonite at pH 9 and 80 °C (Cama et al., 2000; Marty et al., 2011), which lends support to the use of a single f(ΔGr) term to calculate the rate over the pH range 0-14. Thus, we propose a rate law that also accounts for the effect of pOH and temperature by using the pOH-rate dependence and the apparent activation energy proposed by Rozalén et al. (2008) and Amram and Ganor (2005), respectively, and normalizing the dissolution rate constant with the edge surface area of the K-montmorillonite. 1D reactive transport simulations of the experimental data were performed using the Crunchflow code (Steefel et al., 2015) to quantitatively interpret the evolution of the released cations

  9. 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

  10. 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.

  11. 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.

  12. 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.

  13. 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

  14. Kinetic Theory of Electronic Transport in Random Magnetic Fields

    Science.gov (United States)

    Lucas, Andrew

    2018-03-01

    We present the theory of quasiparticle transport in perturbatively small inhomogeneous magnetic fields across the ballistic-to-hydrodynamic crossover. In the hydrodynamic limit, the resistivity ρ generically grows proportionally to the rate of momentum-conserving electron-electron collisions at large enough temperatures T . In particular, the resulting flow of electrons provides a simple scenario where viscous effects suppress conductance below the ballistic value. This new mechanism for ρ ∝T2 resistivity in a Fermi liquid may describe low T transport in single-band SrTiO3 .

  15. Kinetics of lactate and pyruvate transport in cultured rat myotubes

    DEFF Research Database (Denmark)

    von Grumbckow, Lena; Elsner, Peter; Hellsten, Ylva

    1999-01-01

    , respectively. Furthermore, it was observed that the two monocarboxylate transporter isoforms present in mature skeletal muscles, MCT1 and MCT4 (formerly called MCT3 (M.C. Wilson, V.N. Jackson, C. Heddle, N.T. Price, H. Pilegaard, C. Juel, A. Bonen, I. Montgomery, O.F. Hutter, A.P. Halestrap, Lactic acid efflux...... from white skeletal muscle is catalyzed by the monocarboxylate transporter isoform MCT3, J. Biol. Chem. 273 (1998) 15920-15926)), were also expressed in primary culture of myotubes....

  16. Hydrogen vacancies facilitate hydrogen transport kinetics in sodium hydride nanocrystallites

    NARCIS (Netherlands)

    Singh, S.; Eijt, S.W.H.

    2008-01-01

    We report ab initio calculations based on density-functional theory, of the vacancy-mediated hydrogen migration energy in bulk NaH and near the NaH(001) surface. The estimated rate of the vacancy mediated hydrogen transport, obtained within a hopping diffusion model, is consistent with the reaction

  17. 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

  18. 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

  19. Kinetic theory of transport processes in weakly ionized gases

    International Nuclear Information System (INIS)

    Odenhoven, F.J.F. van

    1984-01-01

    A consistent method for the treatment of a plasma of arbitrary degree of ionization is presented. This method consists of a perturbation expansion in the framework of the multiple time scales formalism. Here the results are presented for a weakly ionized gas where elastic electron-atom collisions dominate. It appears that an isotropic correction to the zeroth order Maxwellian electron distribution function is necessary. Calculated electron transport coefficients are compared with the Frost mixture rule and with other calculations. (orig.)

  20. 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.

  1. 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

  2. The kinetics of the partial dehydration of gibbsite to activated alumina in a reactor for pneumatic transport

    Directory of Open Access Journals (Sweden)

    NADEZDA JOVANOVIC

    2001-04-01

    Full Text Available The dehidration kinetics of gibbsite to activated alumina was investigated at four different temperatures between 883 K and 943 K in a reactor for pneumatic transport in the dilute two phase flow regime. The first order kinetic behavior of this reactionwith respect to the water content of the solid material was proved and an activation energy of 66.5 kJ/mol was calculated. The effect of residence time on the water content is given and compared with theoretical calculations. The water content and other characteristics of the products depend on two main parameters, one is the short residence time and the other is the temperature of the dehydration of gibbsite. The short residence time of the gibbsite particles in a reactor for pneumatic transport prevents crystallization into new phases, as established from XRD analysis data. Reactive amorphous alumina powder, with a specific surface area of 250 m2/g, suitable as a precursor for catalyst supports is obtained.

  3. Kinetic transport model for the ELMO Bumpy Torus

    International Nuclear Information System (INIS)

    Jaeger, E.F.; Hedrick, C.L.; Tolliver, J.S.

    1978-05-01

    A bounce-averaged drift kinetic equation is solved for the toroidal plasma in the ELMO Bumpy Torus (EBT). The distribution function is assumed isotropic in pitch angle and calculated as a function of radius and speed using finite differences on a two-dimensional grid. A Fokker-Planck representation of the collision operator includes Coulomb, microwave, ionizing, and charge-exchange collisions. Ion and electron fluxes, computed as integrals of the distribution function, are of comparable magnitude for ambipolar potentials which are approximately self-consistent. Initial results assume an unperturbed distribution function which is Maxwellian; however, this is not a necessary assumption in the model. Careful accounting of loss regions where electric and magnetic poloidal drifts cancel (super banana particle orbits) leads to ion loss rates which are in some cases two orders of magnitude greater than electron rates. In these cases, radially inward pointing self-consistent electric fields occur with potentials on the order of a few times the ion temperature. These negative field results are in approximate agreement with experiment and appear to be stable to the electric field runaway encountered in positive field cases

  4. Kinetic theory of oxygen isotopic exchange between minerals and water

    Science.gov (United States)

    Criss, R.E.; Gregory, R.T.; Taylor, H.P.

    1987-01-01

    Kinetic and mass conservation equations are used to describe oxygen isotopic exchange between minerals and water in "closed" and open hydrothermal systems. In cases where n coexisting mineral phases having different reaction rates are present, the exchange process is described by a system of n + 1 simultaneous differential equations consisting of n pseudo first-order rate equations and a conservation of mass equation. The simultaneous solutions to these equations generate curved exchange trajectories on ??-?? plots. Families of such trajectories generated under conditions allowing for different fluid mole fractions, different fluid isotopic compositions, or different fluid flow rates are connected by positive-sloped isochronous lines. These isochrons reproduce the effects observed in hydrothermally exchanged mineral pairs including 1) steep positive slopes, 2) common reversals in the measured fractionation factors (??), and 3) measured fractionations that are highly variable over short distances where no thermal gradient can be geologically demonstrated. ?? 1987.

  5. 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

  6. 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.

  7. 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

  8. Effect of impurities on kinetic transport processes in fusion plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Braun, Stefanie

    2010-12-10

    Within the framework of this thesis, different problems arising in connection with impurities have been investigated. Collisional damping of zonal flows in tokamaks: Since the Coulomb collision frequency increases with increasing ion charge, heavy, highly charged impurities play an important role in this process. The effect of such impurities on the linear response of the plasma to an external potential perturbation, as caused by zonal flows, is calculated with analytical methods. In comparison with a pure plasma, the damping of the flows occurs, as expected, considerably faster; for experimentally relevant parameters, the enhancement exceeds the effective charge Z{sub eff} of the plasma. Impurity transport driven by microturbulence in tokamaks: With regard to impurities, it is especially important whether the resulting flows are directed inwards or outwards, since they are deleterious for core energy confinement on the one hand, but on the other hand help protecting plasma-facing components from too high energy fluxes in the edge region. A semi-analytical model is presented describing the resulting impurity fluxes and the stability boundary of the underlying mode. The main goal is to bridge the gap between, on the one hand, costly numerical simulations, which are applicable to a broad range of problems but yield scarcely traceable results, and, on the other hand, analytical theory, which might ease the interpretation of the results but is so far rather rudimentary. The model is based on analytical formulae whenever possible but resorts to a numerical treatment when the approximations necessary for an analytical solution would lead to a substantial distortion of the results. Both the direction of the impurity flux and the stability boundary are found to depend sensitively on the plasma parameters such as the impurity density and the temperature gradient. Pfirsch-Schlueter transport in stellarators: Due to geometry effects, collisional transport plays a much more

  9. 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

  10. Kinetics of Pressurized Water Reactors with Hot or Cold Moderators

    Energy Technology Data Exchange (ETDEWEB)

    Norinder, O

    1960-11-15

    The set of neutron kinetic equations developed in this report permits the use of long integration steps during stepwise integration. Thermal relations which describe the transfer of heat from fuel to coolant are derived. The influence upon the kinetic behavior of the reactor of a number of parameters is studied. A comparison of the kinetic properties of the hot and cold moderators is given.

  11. 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.)

  12. 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

  13. Evaporation kinetics of sessile water droplets on micropillared superhydrophobic surfaces.

    Science.gov (United States)

    Xu, Wei; Leeladhar, Rajesh; Kang, Yong Tae; Choi, Chang-Hwan

    2013-05-21

    Evaporation modes and kinetics of sessile droplets of water on micropillared superhydrophobic surfaces are experimentally investigated. The results show that a constant contact radius (CCR) mode and a constant contact angle (CCA) mode are two dominating evaporation modes during droplet evaporation on the superhydrophobic surfaces. With the decrease in the solid fraction of the superhydrophobic surfaces, the duration of a CCR mode is reduced and that of a CCA mode is increased. Compared to Rowan's kinetic model, which is based on the vapor diffusion across the droplet boundary, the change in a contact angle in a CCR (pinned) mode shows a remarkable deviation, decreasing at a slower rate on the superhydrophobic surfaces with less-solid fractions. In a CCA (receding) mode, the change in a contact radius agrees well with the theoretical expectation, and the receding speed is slower on the superhydrophobic surfaces with lower solid fractions. The discrepancy between experimental results and Rowan's model is attributed to the initial large contact angle of a droplet on superhydrophobic surfaces. The droplet geometry with a large contact angle results in a narrow wedge region of air along the contact boundary, where the liquid-vapor diffusion is significantly restricted. Such an effect becomes minor as the evaporation proceeds with the decrease in a contact angle. In both the CCR and CCA modes, the evaporative mass transfer shows the linear relationship between mass(2/3) and evaporation time. However, the evaporation rate is slower on the superhydrophobic surfaces, which is more significant on the surfaces with lower solid fractions. As a result, the superhydrophobic surfaces slow down the drying process of a sessile droplet on them.

  14. 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...

  15. 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

  16. 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

  17. Radiation inactivation studies of renal brush border water and urea transport

    International Nuclear Information System (INIS)

    Verkman, A.S.; Dix, J.A.; Seifter, J.L.; Skorecki, K.L.; Jung, C.Y.; Ausiello, D.A.

    1985-01-01

    Radiation inactivation was used to determine the nature and molecular weight of water and urea transport pathways in brush border membrane vesicles (BBMV) isolated from rabbit renal cortex. BBMV were frozen to -50 degrees C, irradiated with 1.5 MeV electrons, thawed, and assayed for transport or enzyme activity. The freezing process had no effect on enzyme or transport kinetics. BBMV alkaline phosphatase activity gave linear ln(activity) vs. radiation dose plots with a target size of 68 +/- 3 kDa, similar to previously reported values. Water and solute transport were measured using the stopped-flow light-scattering technique. The rates of acetamide and osmotic water transport did not depend on radiation dose (0-7 Mrad), suggesting that transport of these substances does not require a protein carrier. In contrast, urea and thiourea transport gave linear ln(activity) vs. dose curves with a target size of 125-150 kDa; 400 mM urea inhibited thiourea flux by -50% at 0 and 4.7 Mrad, showing that radiation does not affect inhibitor binding to surviving transporters. These studies suggest that BBMV urea transport requires a membrane protein, whereas osmotic water transport does not

  18. 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.

  19. 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

  20. Transport properties of supercooled confined water

    International Nuclear Information System (INIS)

    Mallamace, F.; Baglioni, P.; Corsaro, C.; Spooren, J.; Stanley, H.E.; Chen, S.-H.

    2011-01-01

    We present an overview of recent experiments performed on water in the deeply supercooled region, a temperature region of fundamental importance in the science of water. We examine data generated by nuclear magnetic resonance, quasi-elastic neutron scattering, Fourier-transform infrared spectroscopy, and Raman spectroscopy, and study water confined in nanometer-scale environments. When contained within small pores, water does not crystallize and can be supercooled well below its homogeneous nucleation temperature T H. On this basis, it is possible to carry out a careful analysis of the well-known thermodynamic anomalies of water. Studying the temperature and pressure dependencies of water dynamics, we show that the liquid-liquid phase transition (LLPT) hypothesis represents a reliable model for describing liquid water. In this model, liquid water is a mixture of two different local structures: a low density liquid (LDL) and a high-density liquid (HDL). The LLPT line terminates at a low-T liquid-liquid critical point. We discuss the following experimental findings: 1.) the crossover from non-Arrhenius behavior at high T to Arrhenius behavior at low T in transport parameters; 2.) the breakdown of the Stokes-Einstein relation; 3.) the existence of a Widom line, which is the locus of points corresponding to a maximum correlation length in the P-T phase diagram and which ends in the liquid-liquid critical point; 4.) the direct observation of the LDL phase; and 5.) the minimum in the density at approximately 70 K below the temperature of the density maximum. In our opinion these results strongly support the LLPT hypothesis. All of the basic science and technology community should be impressed by the fact that, although the few ideas (apparently elementary) developed concerning water approximately 27 centuries ago have changed very little up to now, because of the current expansion in our knowledge in this area, they can begin to change in the near future.

  1. 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.

  2. 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...

  3. Fast water transport in graphene nanofluidic channels

    Science.gov (United States)

    Xie, Quan; Alibakhshi, Mohammad Amin; Jiao, Shuping; Xu, Zhiping; Hempel, Marek; Kong, Jing; Park, Hyung Gyu; Duan, Chuanhua

    2018-01-01

    Superfast water transport discovered in graphitic nanoconduits, including carbon nanotubes and graphene nanochannels, implicates crucial applications in separation processes and energy conversion. Yet lack of complete understanding at the single-conduit level limits development of new carbon nanofluidic structures and devices with desired transport properties for practical applications. Here, we show that the hydraulic resistance and slippage of single graphene nanochannels can be accurately determined using capillary flow and a novel hybrid nanochannel design without estimating the capillary pressure. Our results reveal that the slip length of graphene in the graphene nanochannels is around 16 nm, albeit with a large variation from 0 to 200 nm regardless of the channel height. We corroborate this finding with molecular dynamics simulation results, which indicate that this wide distribution of the slip length is due to the surface charge of graphene as well as the interaction between graphene and its silica substrate.

  4. 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

  5. Water sorption kinetics of damaged beans: GAB model

    Directory of Open Access Journals (Sweden)

    Fernanda M. Baptestini

    Full Text Available ABSTRACT The objective of this study was to model the water sorption kinetics of damaged beans. Grains with initial moisture content of 53.85%, dry basis (d.b., were used. One portion of the grains was used to obtain desorption isotherms, while the other was subjected to drying until the moisture content of 5.26% (d.b., so that it was subjected to the adsorption. For the induction of damage, a Stein Breakage Tester was used. To obtain the equilibrium moisture content, grains were placed in a climatic chamber at 20, 30, 40 and 50 ± 1 °C combined with relative humidity of 30, 40, 50, 70 and 90 ± 3%. The GAB model fitted well to the equilibrium moisture experimental data of damaged grains and control. With increasing temperature, the monolayer moisture contents decreased in adsorption and desorption processes, ranging from 9.84 to 5.10% d.b. The lower moisture content in the monolayer in damaged grains indicates that lower moisture content is necessary to ensure their conservation.

  6. 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)

  7. 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

  8. 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.)

  9. 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.

  10. 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)

  11. 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.

  12. Improvement of water transport mechanisms during potato drying by applying ultrasound.

    Science.gov (United States)

    Ozuna, César; Cárcel, Juan A; García-Pérez, José V; Mulet, Antonio

    2011-11-01

    The drying rate of vegetables is limited by internal moisture diffusion and convective transport mechanisms. The increase of drying air temperature leads to faster water mobility; however, it provokes quality loss in the product and presents a higher energy demand. Therefore, the search for new strategies to improve water mobility during convective drying constitutes a topic of relevant research. The aim of this work was to evaluate the use of power ultrasound to improve convective drying of potato and quantify the influence of the applied power in the water transport mechanisms. Drying kinetics of potato cubes were increased by the ultrasonic application. The influence of power ultrasound was dependent on the ultrasonic power (from 0 to 37 kW m(-3) ), the higher the applied power, the faster the drying kinetic. The diffusion model considering external resistance to mass transfer provided a good fit of drying kinetics. From modelling, it was observed a proportional and significant (P mass transfer coefficient. The ultrasonic application during drying represents an interesting alternative to traditional convective drying by shortening drying time, which may involve an energy saving concerning industrial applications. In addition, the ultrasonic effect in the water transport is based on mechanical phenomena with a low heating capacity, which is highly relevant for drying heat sensitive materials and also for obtaining high-quality dry products. Copyright © 2011 Society of Chemical Industry.

  13. 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

  14. 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 ...

  15. 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)

  16. 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

  17. 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.

  18. 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.

  19. 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

  20. 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.

  1. 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.

  2. 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.

  3. 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

  4. 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

  5. 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.

  6. 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

  7. 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.

  8. 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.

  9. 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

  10. The kinetics of crossflow dynamic membrane bioreactor | Li | Water SA

    African Journals Online (AJOL)

    Crossflow dynamic membrane bioreactor (CDMBR) kinetics was investigated by treating caprolactam wastewater over a period of 180 d. The removal efficiencies of organic substances and nitrogen averaged over 99% and 80%, respectively. The observed sludge yield was only 0.14 g SS·g-1 COD·d-1 at an SRT of 30 d ...

  11. 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...

  12. 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...

  13. 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...

  14. 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.

  15. 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.

  16. 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)

  17. 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

  18. 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.

  19. 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.

  20. 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

  1. 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.

  2. 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.

  3. DEFLUORIDATION OF DRINKING WATER BY ELECTROCOAGULATION/ELECTROFLOTATION - KINETIC STUDY

    Directory of Open Access Journals (Sweden)

    Bennajah Mounir

    2010-06-01

    Full Text Available A variable order kinetic (VOK model derived from the langmuir-freundlish equation was applied to determine the kinetics of fluoride removal reaction by electrocoagulation (EC. Synthetic solutions were employed to elucidate the effects of the initial fluoride concentration, the applied current and the initial acidity on the simulation results of the model. The proposed model successfully describes the fluoride removal in Airlift reactor in comparison with the experimental results. In this study two EC cells with the same capacity (V = 20 L were used to carry out fluoride removal with aluminum electrodes, the first is a stirred tank reactor (STR the second is an airlift reactor (ALR. The comparison of energy consumption demonstrates that the (ALR is advantageous for carrying out the defluoridation removal process.

  4. 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)

  5. 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

  6. 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.

  7. 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)

  8. 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

  9. 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)

  10. 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

  11. 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.

  12. 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.

  13. 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)

  14. 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

  15. 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.

  16. 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.

  17. 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.

  18. 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....

  19. Kinetics of Chemical Agents Destruction in Supercritical Water

    National Research Council Canada - National Science Library

    Tester, Jefferson

    2003-01-01

    .... An experimental study of methylphosphonic acid (MPA) oxidation has been completed that includes macroscopic modeling of the overall global rate law for MPA oxidation in supercritical water (SCW...

  20. 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

  1. 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

  2. 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.

  3. 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

  4. 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.

  5. 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.

  6. 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.

  7. Kinetic isotopic fractionation during diffusion of ionic species in water

    Science.gov (United States)

    Richter, Frank M.; Mendybaev, Ruslan A.; Christensen, John N.; Hutcheon, Ian D.; Williams, Ross W.; Sturchio, Neil C.; Beloso, Abelardo D.

    2006-01-01

    Experiments specifically designed to measure the ratio of the diffusivities of ions dissolved in water were used to determine DLi/DK,D/D,D/D,D/D,andD/D. The measured ratio of the diffusion coefficients for Li and K in water (D Li/D K = 0.6) is in good agreement with published data, providing evidence that the experimental design being used resolves the relative mobility of ions with adequate precision to also be used for determining the fractionation of isotopes by diffusion in water. In the case of Li, we found measurable isotopic fractionation associated with the diffusion of dissolved LiCl (D/D=0.99772±0.00026). This difference in the diffusion coefficient of 7Li compared to 6Li is significantly less than that reported in an earlier study, a difference we attribute to the fact that in the earlier study Li diffused through a membrane separating the water reservoirs. Our experiments involving Mg diffusing in water found no measurable isotopic fractionation (D/D=1.00003±0.00006). Cl isotopes were fractionated during diffusion in water (D/D=0.99857±0.00080) whether or not the co-diffuser (Li or Mg) was isotopically fractionated. The isotopic fractionation associated with the diffusion of ions in water is much smaller than values we found previously for the isotopic fractionation of Li and Ca isotopes by diffusion in molten silicate liquids. A major distinction between water and silicate liquids is that water surrounds dissolved ions with hydration shells, which very likely play an important but still poorly understood role in limiting the isotopic fractionation associated with diffusion.

  8. 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...

  9. Unified implicit kinetic scheme for steady multiscale heat transfer based on the phonon Boltzmann transport equation

    Science.gov (United States)

    Zhang, Chuang; Guo, Zhaoli; Chen, Songze

    2017-12-01

    An implicit kinetic scheme is proposed to solve the stationary phonon Boltzmann transport equation (BTE) for multiscale heat transfer problem. Compared to the conventional discrete ordinate method, the present method employs a macroscopic equation to accelerate the convergence in the diffusive regime. The macroscopic equation can be taken as a moment equation for phonon BTE. The heat flux in the macroscopic equation is evaluated from the nonequilibrium distribution function in the BTE, while the equilibrium state in BTE is determined by the macroscopic equation. These two processes exchange information from different scales, such that the method is applicable to the problems with a wide range of Knudsen numbers. Implicit discretization is implemented to solve both the macroscopic equation and the BTE. In addition, a memory reduction technique, which is originally developed for the stationary kinetic equation, is also extended to phonon BTE. Numerical comparisons show that the present scheme can predict reasonable results both in ballistic and diffusive regimes with high efficiency, while the memory requirement is on the same order as solving the Fourier law of heat conduction. The excellent agreement with benchmark and the rapid converging history prove that the proposed macro-micro coupling is a feasible solution to multiscale heat transfer problems.

  10. 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.

  11. 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.

  12. 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

  13. Photocatalytic Water-Splitting Reaction from Catalytic and Kinetic Perspectives

    KAUST Repository

    Hisatomi, Takashi; Takanabe, Kazuhiro; Domen, Kazunari

    2014-01-01

    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

  14. 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.

  15. 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

  16. 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

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

    Science.gov (United States)

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

    2010-12-01

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

  18. 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.

  19. 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...

  20. 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

  1. Kinetics of water-mediated proton transfer in our atmosphere

    International Nuclear Information System (INIS)

    Loerting, T.

    2000-07-01

    Variational transition state theory and multidimensional tunneling methods on hybrid density functional theory generated hypersurfaces have been used to investigate the temperature dependence of the reaction rate constants of water-mediated proton transfer reactions relevant to the chemistry of our atmosphere, namely the hydration of sulfur dioxide and sulfur trioxide and the decomposition of chlorine nitrate. Highly accurate reaction barriers were calculated using ab initio methods taking into account most of the electron correlation, namely CCSD(T)/aug-cc-pVDZ//MP2/aug-cc-pVDZ and G2(MP2). On comparing the determined rate constants with laboratory and atmospheric data, the following points could be established: All of the investigated reactions are highly sensitive to changes in humidity, as water acts as efficient catalyst, i.e., the barrier to the reaction is reduced drastically. Present-day atmospheric chemistry can only be explained when a limited number of water molecules is available for the formation of molecular clusters. Both in the troposphere and in the stratosphere SO 3 is hydrated rather than SO 2 . SO 2 emissions have to be oxidized, therefore, before being subject to hydration. A mechanism involving two or three water molecules is relevant for the production of sulfate aerosols, which play a decisive role in the context of global climate change and acid rain. A third water molecule has the function of assisting double-proton transfer rather than acting as active participant in triple-proton transfer in the case of the hydration of sulfur oxides. The observed ozone depletion above Arctica and Antarctica can be explained either by decomposition of chlorine nitrate in the presence of three water molecules (triple proton transfer) or by decomposition of chlorine nitrate in the presence of one molecule of HCl and one molecule of water (double proton transfer). The preassociation reaction required for homogeneous gas-phase conversion of chlorine

  2. 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.

  3. 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).

  4. 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...

  5. Growth Kinetics of the Homogeneously Nucleated Water Droplets: Simulation Results

    International Nuclear Information System (INIS)

    Mokshin, Anatolii V; Galimzyanov, Bulat N

    2012-01-01

    The growth of homogeneously nucleated droplets in water vapor at the fixed temperatures T = 273, 283, 293, 303, 313, 323, 333, 343, 353, 363 and 373 K (the pressure p = 1 atm.) is investigated on the basis of the coarse-grained molecular dynamics simulation data with the mW-model. The treatment of simulation results is performed by means of the statistical method within the mean-first-passage-time approach, where the reaction coordinate is associated with the largest droplet size. It is found that the water droplet growth is characterized by the next features: (i) the rescaled growth law is unified at all the considered temperatures and (ii) the droplet growth evolves with acceleration and follows the power law.

  6. 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

  7. 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

  8. 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.)

  9. 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

  10. 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

  11. 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.

  12. 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.)

  13. Biologically inspired water purification through selective transport

    International Nuclear Information System (INIS)

    Freeman, E C; Soncini, R M; Weiland, L M

    2013-01-01

    Biologically inspired systems based on cellular mechanics demonstrate the ability to selectively transport ions across a bilayer membrane. These systems may be observed in nature in plant roots, which remove select nutrients from the surrounding soil against significant concentration gradients. Using biomimetic principles in the design of tailored active materials allows for the development of selective membranes for capturing and filtering targeted ions. Combining this biomimetic transport system with a method for reclaiming the captured ions will allow for increased removal potential. To illustrate this concept, a device for removing nutrients from waterways to aid in reducing eutrophication is outlined and discussed. Presented is a feasibility study of various cellular configurations designed for this purpose, focusing on maximizing nutrient uptake. The results enable a better understanding of the benefits and obstacles when developing these cellularly inspired systems. (paper)

  14. 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.

  15. 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.

  16. 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

  17. 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

  18. 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.…

  19. 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).

  20. 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-...

  1. 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)

  2. 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.

  3. 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.)

  4. 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)

  5. 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

  6. National Waterways Study. Commercial Water Transportation Users.

    Science.gov (United States)

    1981-08-01

    green and stored in covered or pit silos for feed. When corn in used for its grain only, the ears are picked off the plant and the corn is shelled from...among -egions creates a need for the domestic transportation of products and crude to satisfy 206 net demand. The actual behavor of the regions may...distributed as follows: 531 million tons of reserves in the Green River-Hams Fork region (Idaho, Wyoming, Utah, and Colorado); 109 million tons in the Uinta

  7. 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

  8. Electrode kinetics of a water vapor electrolysis cell

    Science.gov (United States)

    Jacobs, G.

    1974-01-01

    The anodic electrochemical behavior of the water vapor electrolysis cell was investigated. A theoretical review of various aspects of cell overvoltage is presented with special emphasis on concentration overvoltage and activation overvoltage. Other sources of overvoltage are described. The experimental apparatus controlled and measured anode potential and cell current. Potentials between 1.10 and 2.60 V (vs NHE) and currents between 0.1 and 3000 mA were investigated. Different behavior was observed between the standard cell and the free electrolyte cell. The free electrolyte cell followed typical Tafel behavior (i.e. activation overvoltage) with Tafel slopes of about 0.15, and the exchange current densities of 10 to the minus 9th power A/sq cm, both in good agreement with literature values. The standard cell exhibitied this same Tafel behavior at lower current densities but deviated toward lower than expected current densities at higher potentials. This behavior and other results were examined to determine their origin.

  9. A Unified Gas Kinetic Scheme for Transport and Collision Effects in Plasma

    Directory of Open Access Journals (Sweden)

    Dongxin Pan

    2018-05-01

    Full Text Available In this study, the Boltzmann equation with electric acceleration term is discretized and solved by the unified gas-kinetic scheme (UGKS. The charged particle transport driven by electric field is included in the electric acceleration term. To capture non-equilibrium distribution function, the probability distribution functions of gas is discretized in a discrete velocity space. After discretization, the numerical flux for distribution function is computed to update the microscopic and macroscopic states. The flux is decided by an integral solution of Boltzmann equation based on characteristic problem. An electron-ion collision model is introduced in the Boltzmann Bhatnagar-Gross-Krook (BGK equation. This finite volume method for the UGKS couples the free transport and long-range interaction between particles. For simplicity, the electric field induced by charged particles is controlled by the Poisson’s equation, which is solved using the Green’s function for two dimensional plasma system subjected to the symmetry or periodic boundary conditions. Two numerical cases, linear Landau damping and Gaussian beam, are carried out to validate the proposed method. The linear electron plasma wave damping is simulated based on electron-ion collision operator. Comparison results show good accuracy and higher efficiency than particle based methods. Difference between Poisson’s equation and complete electromagnetic Maxwell equation is presented by numerical results based on the two models. Highly non-equilibrium and rarefied plasma flows, such as electron flows driven by electromagnetic field, can be simulated easily. The UGKS-Poisson model is proved to be promising in plasma flow simulation.

  10. 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.

  11. Plasma transport in stochastic magnetic fields. III. Kinetics of test-particle diffusion

    International Nuclear Information System (INIS)

    Krommes, J.A.; Oberman, C.; Kleva, R.G.

    1982-07-01

    A discussion is given of test particle transport in the presence of specified stochastic magnetic fields, with particular emphasis on the collisional limit. Certain paradoxes and inconsistencies in the literature regarding the form of the scaling laws are resolved by carefully distinguishing a number of physically distinct correlation lengths, and thus by identifying several collisional subregimes. The common procedure of averaging the conventional fluid equations over the statistics of a random field is shown to fail in some important cases because of breakdown of the Chapman-Enskog ordering in the presence of a stochastic field component with short autocorrelation length. A modified perturbation theory is introduced which leads to a Kubo-like formula valid in all collisionality regimes. The direct-interaction approximation is shown to fail in the interesting limit in which the orbit exponentiation length L/sub K/ appears explicitly. A higher order renormalized kinetic theory in which L/sub K/ appears naturally is discussed and used to rederive more systematically the results of the heuristic scaling arguments

  12. TASK, 1-D Multigroup Diffusion or Transport Theory Reactor Kinetics with Delayed Neutron

    International Nuclear Information System (INIS)

    Buhl, A.R.; Hermann, O.W.; Hinton, R.J.; Dodds, H.L. Jr.; Robinson, J.C.; Lillie, R.A.

    1975-01-01

    1 - Description of problem or function: TASK solves the one-dimensional multigroup form of the reactor kinetics equations, using either transport or diffusion theory and allowing an arbitrary number of delayed neutron groups. The program can also be used to solve standard static problems efficiently such as eigenvalue problems, distributed source problems, and boundary source problems. Convergence problems associated with sources in highly multiplicative media are circumvented, and such problems are readily calculable. 2 - Method of solution: TASK employs a combination scattering and transfer matrix method to eliminate certain difficulties that arise in classical finite difference approximations. As such, within-group (inner) iterations are eliminated and solution convergence is independent of spatial mesh size. The time variable is removed by Laplace transformation. (A later version will permit direct time solutions.) The code can be run either in an outer iteration mode or in closed (non-iterative) form. The running mode is dictated by the number of groups times the number of angles, consistent with available storage. 3 - Restrictions on the complexity of the problem: The principal restrictions are available storage and computation time. Since the code is flexibly-dimensioned and has an outer iteration option there are no internal restrictions on group structure, quadrature, and number of ordinates. The flexible-dimensioning scheme allows optional use of core storage. The generalized cylindrical geometry option is not complete in Version I of the code. The feedback options and omega-mode search options are not included in Version I

  13. 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.

  14. 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

  15. 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

  16. 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

  17. 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

  18. 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.

  19. 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)

  20. 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)

  1. 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)

  2. 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)

  3. 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)

  4. 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.

  5. 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

  6. 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

  7. 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.

  8. 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.

  9. 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.

  10. 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

  11. 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...

  12. 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.

  13. 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)

  14. 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

  15. 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.

  16. 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.

  17. 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

  18. 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.

  19. Effect of controlled laser microporation on drug transport kinetics into and across the skin.

    Science.gov (United States)

    Bachhav, Y G; Summer, S; Heinrich, A; Bragagna, T; Böhler, C; Kalia, Y N

    2010-08-17

    The objectives of this study were to investigate a novel laser microporation technology ( P.L.E.A.S.E. Painless Laser Epidermal System) and to determine the effect of pore number and depth on the rate and extent of drug delivery across the skin. In addition, the micropores were visualized by confocal laser scanning microscopy and histological studies were used to determine the effect of laser fluence (energy applied per unit area) on pore depth. Porcine ear skin was used as the membrane for both the pore characterization and drug transport studies. Confocal images in the XY-plane revealed that the pores were typically 150-200 microm in diameter. Histological sections confirmed that fluence could be used to effectively control pore depth - low energy application (4.53 and 13.59 J/cm(2)) resulted in selective removal of the stratum corneum (20-30 microm), intermediate energies (e.g., 22.65 J/cm(2)) produced pores that penetrated the viable epidermis (60-100 microm) and higher application energies created pores that reached the dermis (>150-200 microm). The effects of pore number and pore depth on molecular transport were quantified by comparing lidocaine delivery kinetics across intact and porated skin samples. After 24h, cumulative skin permeation of lidocaine with 0 (control), 150, 300, 450 and 900 pores was 107+/-46, 774+/-110, 1400+/-344, 1653+/-437 and 1811+/-642 microg/cm(2), respectively; there was no statistically significant difference between 300, 450 and 900 pore data - probably due to the effect of drug depletion since >50% of the applied dose was delivered. Importantly, increasing fluence did not produce a statistically significant increase in lidocaine permeation; after 24h, cumulative lidocaine permeation was 1180+/-448, 1350+/-445, 1240+/-483 and 1653+/-436 microg/cm(2) at fluences of 22.65, 45.3, 90.6 and 135.9 J/cm(2), respectively. Thus, shallow pores were equally effective in delivering lidocaine. Increasing lidocaine concentration in the

  20. 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

  1. 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

  2. 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

  3. 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

  4. 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.

  5. 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

  6. 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.

  7. 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

  8. 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.

  9. 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

  10. 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.

  11. Exospheric transport restrictions on water ice in lunar polar traps

    Science.gov (United States)

    Hodges, R. R., Jr.

    1991-01-01

    There is little doubt that at least 10 exp 17 g of water has accreted on the moon as a result of the reduction of ferric iron at the regolith surface by solar wind protons, the vaporization of chondrites, and perhaps comet impacts. Lacking an efficient escape mechanism, most of this water (or its progeny) is probably on the moon now. If the water were to have migrated to permanently shaded cold traps near the lunar poles, ice deposts with densities greater than 1000 g/sq cm would cover the traps, providing accessible resources. However, exospheric transport considerations suggest that the actual amount of water ice in the cold traps is probably too small to be of practical interest. The alternative is global assimilation of most of the water into the regolith, a process that must account for about 30 micromoles of water per gram of soil.

  12. 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.

  13. 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

  14. 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).

  15. Classroom Techniques to Illustrate Water Transport in Plants

    Science.gov (United States)

    Lakrim, Mohamed

    2013-01-01

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

  16. Water transport between CNS compartments: contributions of aquaporins and cotransporters

    DEFF Research Database (Denmark)

    MacAulay, N; Zeuthen, T

    2010-01-01

    or hydrocephalus. The molecular pathways by which water molecules cross the cell membranes of the brain are not well-understood, although the discovery of aquaporin 4 (AQP4) in the brain improved our understanding of some of these transport processes, particularly under pathological conditions. In the present...

  17. 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

  18. 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…

  19. 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).

  20. 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)

  1. Comparison of a modified peptone water transport medium with two ...

    African Journals Online (AJOL)

    A laboratory modified peptone water medium was evaluated alongside Stuart and Amies media for their relative suitability as transport media for aerobic bacteria isolated from wound specimens obtained from Central Hospital, Benin City, Nigeria. The survival rates of isolates from the three media were assessed ...

  2. 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

  3. Impacts of transportation infrastructure on storm water and surfaces waters in Chittenden County, Vermont, USA.

    Science.gov (United States)

    2014-06-01

    Transportation infrastructure is a major source of stormwater runoff that can alter hydrology and : contribute significant loading of nutrients, sediment, and other pollutants to surface waters. These : increased loads can contribute to impairment of...

  4. 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.

  5. 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

  6. 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

  7. 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.

  8. 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.

  9. 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

  10. 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

  11. 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.

  12. 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.

  13. 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

  14. 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.

  15. 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 .

  16. Electricity resonance-induced fast transport of water through nanochannels.

    Science.gov (United States)

    Kou, Jianlong; Lu, Hangjun; Wu, Fengmin; Fan, Jintu; Yao, Jun

    2014-09-10

    We performed molecular dynamics simulations to study water permeation through a single-walled carbon nanotube with electrical interference. It was found that the water net flux across the nanochannel is greatly affected by the external electrical interference, with the maximal net flux occurred at an electrical interference frequency of 16670 GHz being about nine times as high as the net flux at the low or high frequency range of (80,000 GHz). The above phenomena can be attributed to the breakage of hydrogen bonds as the electrical interference frequency approaches to the inherent resonant frequency of hydrogen bonds. The new mechanism of regulating water flux across nanochannels revealed in this study provides an insight into the water transportation through biological water channels and has tremendous potential in the design of high-flux nanofluidic systems.

  17. 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)

  18. 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).

  19. Transport and relaxation properties of superfluid 3He. I. Kinetic equation and Bogoliubov quasiparticle relaxation rate

    International Nuclear Information System (INIS)

    Einzel, D.; Woelfle, P.

    1978-01-01

    The kinetic equation for Bogoliubov quasiparticles for both the A and B phases of superfluid 3 He is derived from the general matrix kinetic equation. A condensed expression for the exact spin-symmetric collision integral is given. The quasiparticle relaxation rate is calculated for the BW state using the s--p approximation for the quasiparticle scattering amplitude. By using the results for the quasiparticle relaxation rate, the mean free path of Bogoliubov quasiparticles is calculated for all temperatures

  20. Water transport by the bacterial channel alpha-hemolysin

    Science.gov (United States)

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

    1999-01-01

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

  1. 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

  2. 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

  3. 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...

  4. 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...

  5. 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.

  6. 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.

  7. Isotopic modeling of water and sodium distribution and exchange kinetics in 7 stable hemodialysis patients

    International Nuclear Information System (INIS)

    Chamoiseau, S.; Bertrou, L.; Pujo, J.M.; Massol, M.

    1988-01-01

    Sequential serum sampling over 24 h. has been performed in 7 hemodialysis patients after simultaneous intra-venous injection of tritiated water and 24 Na. Each time-activity curve fits a biexponential pattern. A compartment analysis leads to describe either a simple but incomplete single compartment model or a much more satisfactory open two-compartment mamillary model featuring 2 intercompartment transfer rate constants k 21 and k 12 , and a loss out of the system, k 01 . These constants can be related to intrabody resistances to sodium and water transfers. Compartment analysis allows a comprehensive quantitated description of the exchange and transfer kinetics of sodium and water throughout the system. Evidence for a sodium reservoir, probably located in bone, can be drawn from the results and leads to propose a strategy for a targetted bone sodium removal [fr

  8. Fe(II) oxidation kinetics and Fe hydroxyphosphate precipitation upon aeration of anaerobic (ground)water

    NARCIS (Netherlands)

    van der Grift, B.; Griffioen, J.; Behrends, T.; Wassen, M.J.; Schot, P.P.; Osté, Leonard

    2015-01-01

    Exfiltration of anaerobic Fe-rich groundwater into surface water plays an important role in controlling the transport of phosphate (P) from agricultural areas to the sea. Previous laboratory and field studies showed that Fe(II) oxidation upon aeration leads to effective immobilization of dissolved P

  9. 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)

  10. 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.

  11. 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.

  12. 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)

  13. 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.

  14. 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

  15. 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

  16. 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.

  17. 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.

  18. Molecular theory of mass transfer kinetics and dynamics at gas-water interface

    International Nuclear Information System (INIS)

    Morita, Akihiro; Garrett, Bruce C

    2008-01-01

    The mass transfer mechanism across gas-water interface is studied with molecular dynamics (MD) simulation. The MD results provide a robust and qualitatively consistent picture to previous studies about microscopic aspects of mass transfer, including interface structure, free energy profiles for the uptake, scattering dynamics and energy relaxation of impinging molecules. These MD results are quantitatively compared with experimental uptake measurements, and we find that the apparent inconsistency between MD and experiment could be partly resolved by precise decomposition of the observed kinetics into elemental steps. Remaining issues and future perspectives toward constructing a comprehensive multi-scale description of interfacial mass transfer are summarized.

  19. Kinetics of Cr(III) and Cr(VI) removal from water by two floating macrophytes.

    Science.gov (United States)

    Maine, M A; Hadad, H R; Sánchez, G; Caffaratti, S; Pedro, M C

    2016-01-01

    The aim of this work was to compare Cr(III) and Cr(VI) removal kinetics from water by Pistia stratiotes and Salvinia herzogii. The accumulation in plant tissues and the effects of both Cr forms on plant growth were also evaluated. Plants were exposed to 2 and 6 mg L(-1) of Cr(III) or Cr(VI) during 30 days. At the end of the experiment, Cr(VI) removal percentages were significantly lower than those obtained for Cr(III) for both macrophytes. Cr(III) removal kinetics involved a fast and a slow component. The fast component was primarily responsible for Cr(III) removal while Cr(VI) removal kinetics involved only a slow process. Cr accumulated principally in the roots. In the Cr(VI) treatments a higher translocation from roots to aerial parts than in Cr(III) treatments was observed. Both macrophytes demonstrated a high ability to remove Cr(III) but not Cr(VI). Cr(III) inhibited the growth at the highest studied concentration of both macrophytes while Cr(VI) caused senescence. These results have important implications in the use of constructed wetlands for secondary industrial wastewater treatment. Common primary treatments of effluents containing Cr(VI) consists in its reduction to Cr(III). Cr(III) concentrations in these effluents are normally below the highest studied concentrations in this work.

  20. 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

  1. 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)

  2. 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

  3. 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)

  4. 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.

  5. Lactate/H+ transport kinetics in rat skeletal muscle related to fibre type and changes in transport capacity

    DEFF Research Database (Denmark)

    Juel; Pilegaard

    1998-01-01

    muscles, muscles of old rats and rats that had been subjected to high-intensity training, endurance training, repeated exposure to hypoxia, and hypothyroid or hyperthyroid treatments. The lactate/H+ transport capacity of red muscles was greater than that of white muscles, and this difference...... and hypothyroidism was due to a decrease in Vmax. The denervation-induced decline in lactate/H+ transport capacity resulted from both an increased Km and a reduced Vmax. The present data show that muscle type differences and most changes in the lactate/H+ transport capacity are mediated by modifications in Vmax......, which is expected to represent the number of membrane transporter molecules. Km is unaffected by most treatments and appears to be independent of fibre type....

  6. Fish larval transport in the coastal waters through ecological modelling

    Digital Repository Service at National Institute of Oceanography (India)

    George, G.

    are as follows: (i) to find out the influence of environmental parameters on the biology of the given ecosystem (ii) to track larval transport and biological abundance in relation to environmental vari- ables (iii) to compare biological abundance and fish larval... include the following investigations: (i) analysis of satellite chlorophyll data along the southwest coastal waters of India to derive a biological calender for sardine (ii) tracking the larval survival and establish a link between food and sardine inter...

  7. Superconductivity and fast proton transport in nanoconfined water

    Science.gov (United States)

    Johnson, K. H.

    2018-04-01

    A real-space molecular-orbital density-wave description of Cooper pairing in conjunction with the dynamic Jahn-Teller mechanism for high-Tc superconductivity predicts that electron-doped water confined to the nanoscale environment of a carbon nanotube or biological macromolecule should superconduct below and exhibit fast proton transport above the transition temperature, Tc ≅ 230 K (-43 °C).

  8. 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.

  9. 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

  10. Iron oxidation kinetics and phosphorus immobilization at the groundwater-surface water interface

    Science.gov (United States)

    van der Grift, Bas; Rozemeijer, Joachim; Griffioen, Jasper; van der Velde, Ype

    2014-05-01

    Eutrophication of freshwater environments following diffuse nutrient loads is a widely recognized water quality problem in catchments. Fluxes of non-point P sources to surface waters originate from surface runoff and flow from soil water and groundwater into surface water. The availability of P in surface waters is controlled strongly by biogeochemical nutrient cycling processes at the soil-water interface. The mechanisms and rates of the iron oxidation process with associated binding of phosphate during exfiltration of anaerobic Fe(II) bearing groundwater are among the key unknowns in P retention processes in surface waters in delta areas where the shallow groundwater is typically pH-neutral to slightly acid, anoxic, iron-rich. We developed an experimental field set-up to study the dynamics in Fe(II) oxidation and mechanisms of P immobilization at the groundwater-surface water interface in an agricultural experimental catchment of a small lowland river. We physically separated tube drain effluent from groundwater discharge before it entered a ditch in an agricultural field. The exfiltrating groundwater was captured in in-stream reservoirs constructed in the ditch. Through continuous discharge measurements and weekly water quality sampling of groundwater, tube drain water, exfiltrated groundwater, and ditch water, we quantified Fe(II) oxidation kinetics and P immobilization processes across the seasons. This study showed that seasonal changes in climatic conditions affect the Fe(II) oxidation process. In winter time the dissolved iron concentrations in the in-stream reservoirs reached the levels of the anaerobic groundwater. In summer time, the dissolved iron concentrations of the water in the reservoirs are low, indicating that dissolved Fe(II) is completely oxidized prior to inflow into the reservoirs. Higher discharges, lower temperatures and lower pH of the exfiltrated groundwater in winter compared to summer shifts the location of the redox transition zone

  11. 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.)

  12. Effects of Water Molecule on CO Oxidation by OH: Reaction Pathways, Kinetic Barriers, and Rate Constants.

    Science.gov (United States)

    Zhang, Linyao; Yang, Li; Zhao, Yijun; Zhang, Jiaxu; Feng, Dongdong; Sun, Shaozeng

    2017-07-06

    The water dilute oxy-fuel combustion is a clean combustion technology for near-zero emission power; and the presence of water molecule could have both kinetic and dynamic effects on combustion reactions. The reaction OH + CO → CO 2 + H, one of the most important elementary reactions, has been investigated by extensive electronic structure calculations. And the effects of a single water molecule on CO oxidation have been studied by considering the preformed OH(H 2 O) complex reacts with CO. The results show little change in the reaction pathways, but the additional water molecule actually increases the vibrationally adiabatic energy barriers (V a G ). Further thermal rate constant calculations in the temperature range of 200 to 2000 K demonstrate that the total low-pressure limit rate constant for the water assisted OH(H 2 O) + CO → CO 2 + H 2 O + H reaction is 1-2 orders lower than that of the water unassisted one, which is consistent with the change of V a G . Therefore, the hydrated radical OH(H 2 O) would actually slow down the oxidation of CO. Meanwhile, comparisons show that the M06-2X/aug-cc-pVDZ method gives a much better estimation in energy and thus is recommended to be employed for direct dynamics simulations.

  13. 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

  14. 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

  15. Hydration kinetics of cement composites with varying water-cement ratio using terahertz spectroscopy

    Science.gov (United States)

    Ray, Shaumik; Dash, Jyotirmayee; Devi, Nirmala; Sasmal, Saptarshi; Pesala, Bala

    2015-03-01

    Cement is mixed with water in an optimum ratio to form concrete with desirable mechanical strength and durability. The ability to track the consumption of major cement constituents, viz., Tri- and Dicalcium Silicates (C3S, C2S) reacting with water along with the formation of key hydration products, viz., Calcium-Silicate-Hydrate (C-S-H) which gives the overall strength to the concrete and Calcium Hydroxide (Ca(OH)2), a hydration product which reduces the strength and durability, using an efficient technique is highly desirable. Optimizing the amount of water to be mixed with cement is one of the main parameters which determine the strength of concrete. In this work, THz spectroscopy has been employed to track the variation in hydration kinetics for concrete samples with different water-cement ratios, viz., 0.3, 0.4, 0.5 and 0.6. Results show that for the sample with water-cement ratio of 0.3, significant amount of the C3S and C2S remain unreacted even after the initial hydration period of 28 days while for the cement with water-cement ratio of 0.6, most of the constituents get consumed during this stage. Analysis of the formation of Ca(OH)2 has been done which shows that the concrete sample with water-cement ratio of 0.6 produces the highest amount of Ca(OH)2 due to higher consumption of C3S/C2S in presence of excess water which is not desirable. Samples with water-cement ratio of 0.4 and 0.5 show more controlled reaction during the hydration which can imply formation of an optimized level of desired hydration products resulting in a more mechanically strong and durable concrete.

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

    Energy Technology Data Exchange (ETDEWEB)

    Morrison, Glenn Charles [Univ. of California, Berkeley, CA (United States)

    1999-12-01

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

  17. 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...

  18. 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

  19. 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

  20. 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

  1. 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.

  2. Removing polycyclic aromatic hydrocarbons from water using granular activated carbon: kinetic and equilibrium adsorption studies.

    Science.gov (United States)

    Eeshwarasinghe, Dinushika; Loganathan, Paripurnanda; Kalaruban, Mahatheva; Sounthararajah, Danious Pratheep; Kandasamy, Jaya; Vigneswaran, Saravanamuthu

    2018-05-01

    Polycyclic aromatic hydrocarbons (PAHs) constitute a group of highly persistent, toxic and widespread environmental micropollutants that are increasingly found in water. A study was conducted in removing five PAHs, specifically naphthalene, acenaphthylene, acenaphthene, fluorene and phenanthrene, from water by adsorption onto granular activated carbon (GAC). The pseudo-first-order (PFO) model satisfactorily described the kinetics of adsorption of the PAHs. The Weber and Morris diffusion model's fit to the data showed that there were faster and slower rates of intra-particle diffusion probably into the mesopores and micropores of the GAC, respectively. These rates were negatively related to the molar volumes of the PAHs. Batch equilibrium adsorption data fitted well to the Langmuir, Freundlich and Dubinin-Radushkevich models, of which the Freundlich model exhibited the best fit. The adsorption affinities were related to the hydrophobicity of the PAHs as determined by the log K ow values. Free energies of adsorption calculated from the Dubinin-Radushkevich model and the satisfactory kinetic data fitting to the PFO model suggested physical adsorption of the PAHs. Adsorption of naphthalene, acenaphthylene and acenaphthene in fixed-bed columns containing a mixture of GAC (0.5 g) + sand (24.5 g) was satisfactorily simulated by the Thomas model.

  3. 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

  4. Equilibrium, kinetic and reactive transport models for Pu: employing numerical methods to uncover the nature of the intrinsic colloid

    International Nuclear Information System (INIS)

    Schwantes, Jon M.; Batchelor, Bill

    2000-01-01

    Future missions for the Department of Defense include processing plutonium for vitrification and conversion to mixed oxide fuels for commercial use. Such processing could result in the production of Pu-containing waste and unplanned releases of Pu to the environment. Some releases related to plutonium processing have occurred in the past. However, scientists are currently not able to explain the observed behavior of plutonium in natural systems. For example, classical filtration theory predicts that plutonium transport within groundwater should be limited to a few tens of meters. Experimental observations, however, show that plutonium is present in groundwater at distances orders of magnitude farther away from its source than predicted. Before adequate disposal practices can be designed for plutonium, its behavior in these systems must be better understood. The overall goal of this project is to develop equilibrium, kinetic and reactive transport models that describe the behavior of Pu in aqueous systems and to apply these models to natural and engineered systems

  5. 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

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

    International Nuclear Information System (INIS)

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

    2013-01-01

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

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

    International Nuclear Information System (INIS)

    Alcorn, Chris D.; Brodovitch, Jean-Claude; Percival, Paul W.; Smith, Marisa; Ghandi, Khashayar

    2014-01-01

    Highlights: • Rate constants for reactions of H with water resolve a controversy. • H reacts with superheated water via two channels. • The findings have important implications for the safety of some nuclear power reactors. - Abstract: Safe operation of supercritical water-cooled reactors requires knowledge of the kinetics of transient species formed by the radiolysis of water in the range 300–650 °C. Using muonium, it is possible to study aqueous H · atom chemistry over this temperature range. An important reaction to study is that of the H · atom with water itself, because it is a potential source of molecular H 2 . The concentration of H 2 is important to plant coolant chemistry, as H 2 is currently added to suppress oxidative corrosion in CANDU reactors. The reaction of muonium with H 2 O and D 2 O was studied experimentally up to 450 °C, and also via quantum chemical computations to investigate possible isotope effects. Our results suggest that although the H · atom abstraction from H 2 O is important at temperatures above 300 °C, the electron-producing channel (H · + H 2 O ⇌ H 3 O + + e aq - ) is significant at temperatures up to 300 °C, and becomes the dominant reaction channel at lower temperatures

  8. Kinetics of the reaction between H{sup ·} and superheated water probed with muonium

    Energy Technology Data Exchange (ETDEWEB)

    Alcorn, Chris D. [Department of Chemistry and Biochemistry, Mount Allison University, Sackville, New Brunswick E4L 1G8 (Canada); Brodovitch, Jean-Claude [Department of Chemistry, Simon Fraser University, Burnaby, British Columbia V5A 1S6 (Canada); Percival, Paul W. [Department of Chemistry, Simon Fraser University, Burnaby, British Columbia V5A 1S6 (Canada); TRIUMF, 4004 Wesbrook Mall, Vancouver, British Columbia V6T 2A3 (Canada); Smith, Marisa [Department of Chemistry and Biochemistry, Mount Allison University, Sackville, New Brunswick E4L 1G8 (Canada); Ghandi, Khashayar, E-mail: kghandi@mta.ca [Department of Chemistry and Biochemistry, Mount Allison University, Sackville, New Brunswick E4L 1G8 (Canada)

    2014-05-19

    Highlights: • Rate constants for reactions of H with water resolve a controversy. • H reacts with superheated water via two channels. • The findings have important implications for the safety of some nuclear power reactors. - Abstract: Safe operation of supercritical water-cooled reactors requires knowledge of the kinetics of transient species formed by the radiolysis of water in the range 300–650 °C. Using muonium, it is possible to study aqueous H{sup ·} atom chemistry over this temperature range. An important reaction to study is that of the H{sup ·} atom with water itself, because it is a potential source of molecular H{sub 2}. The concentration of H{sub 2} is important to plant coolant chemistry, as H{sub 2} is currently added to suppress oxidative corrosion in CANDU reactors. The reaction of muonium with H{sub 2}O and D{sub 2}O was studied experimentally up to 450 °C, and also via quantum chemical computations to investigate possible isotope effects. Our results suggest that although the H{sup ·} atom abstraction from H{sub 2}O is important at temperatures above 300 °C, the electron-producing channel (H{sup ·} + H{sub 2}O ⇌ H{sub 3}O{sup +} + e{sub aq}{sup -}) is significant at temperatures up to 300 °C, and becomes the dominant reaction channel at lower temperatures.

  9. 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

  10. 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).

  11. 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...

  12. Hydrological model for the transport of radioisotope in surface water

    International Nuclear Information System (INIS)

    Adoboah, E.K.

    2011-01-01

    The use of radioisotopes has gained grounds in Ghana as a result of the numerous benefits that could be derived from it. In Ghana, radioisotope materials are used for various purposes in a number of institutions. However, improper disposal of the waste poses threat to the environment. To evaluate the environmental impact of radioisotope pollution, mathematical models play a major role in predicting the pollution level in any medium. This study is concerned with the hydrological model for the transport of radioactive material in the river. The model was composed by employing partial differential equations, describing relevant physical processes evolution (water level, velocities and dissolved substances concentrations) that occurs in water bodies. The mass conservation and momentum laws, state equation and state transport equations are equation system basis. The explicit central difference scheme in space and a forward difference method in time were used for the evaluation of the generalized transport equation, the Advection-Dispersion Equation. A Matlab code was developed to predict the concentration of the radioactive contaminant at any particular time along the river and in a reservoir. The model was able to simulate accurately the various levels of radionuclide concentration changes in the flowing rivers as the flows are augmented by tributary inflows. (au)

  13. 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.

  14. 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

  15. 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

  16. Modeling UTLS water vapor: Transport/Chemistry interactions

    International Nuclear Information System (INIS)

    Gulstad, Line

    2005-01-01

    This thesis was initially meant to be a study on the impact on chemistry and climate from UTLS water vapor. However, the complexity of the UTLS water vapor and its recent changes turned out to be a challenge by it self. In the light of this, the overall motivation for the thesis became to study the processes controlling UTLS water vapor and its changes. Water vapor is the most important greenhouse gas, involved in important climate feedback loops. Thus, a good understanding of the chemical and dynamical behavior of water vapor in the atmosphere is crucial for understanding the climate changes in the last century. Additionally, parts of the work was motivated by the development of a coupled climate chemistry model based on the CAM3 model coupled with the Chemical Transport Model Oslo CTM2. The future work will be concentrated on the UTLS water vapor impact on chemistry and climate. We are currently studying long term trends in UTLS water vapor, focusing on identification of the different processes involved in the determination of such trends. The study is based on natural as well as anthropogenic climate forcings. The ongoing work on the development of a coupled climate chemistry model will continue within our group, in collaboration with Prof. Wei-Chyung Wang at the State University of New York, Albany. Valuable contacts with observational groups are established during the work on this thesis. These collaborations will be continued focusing on continuous model validation, as well as identification of trends and new features in UTLS water vapor, and other tracers in this region. (Author)

  17. 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.

  18. Solubility of the transport equation in the kinetics of coagulation and fragmentation

    International Nuclear Information System (INIS)

    Dubovskii, P B

    2001-01-01

    We prove a local existence theorem for a continuous solution of the spatially inhomogeneous kinetic coagulation-fragmentation model of Smoluchowski. Then we prove the solubility of the problem in the large in the class of continuous functions. It is important to emphasize that we admit unbounded integral kernels in both cases. The uniqueness of the solution and its continuous dependence on the input data are also demonstrated

  19. A statistical mechanical theory of proton transport kinetics in hydrogen-bonded networks based on population correlation functions with applications to acids and bases.

    Science.gov (United States)

    Tuckerman, Mark E; Chandra, Amalendu; Marx, Dominik

    2010-09-28

    Extraction of relaxation times, lifetimes, and rates associated with the transport of topological charge defects in hydrogen-bonded networks from molecular dynamics simulations is a challenge because proton transfer reactions continually change the identity of the defect core. In this paper, we present a statistical mechanical theory that allows these quantities to be computed in an unbiased manner. The theory employs a set of suitably defined indicator or population functions for locating a defect structure and their associated correlation functions. These functions are then used to develop a chemical master equation framework from which the rates and lifetimes can be determined. Furthermore, we develop an integral equation formalism for connecting various types of population correlation functions and derive an iterative solution to the equation, which is given a graphical interpretation. The chemical master equation framework is applied to the problems of both hydronium and hydroxide transport in bulk water. For each case it is shown that the theory establishes direct links between the defect's dominant solvation structures, the kinetics of charge transfer, and the mechanism of structural diffusion. A detailed analysis is presented for aqueous hydroxide, examining both reorientational time scales and relaxation of the rotational anisotropy, which is correlated with recent experimental results for these quantities. Finally, for OH(-)(aq) it is demonstrated that the "dynamical hypercoordination mechanism" is consistent with available experimental data while other mechanistic proposals are shown to fail. As a means of going beyond the linear rate theory valid from short up to intermediate time scales, a fractional kinetic model is introduced in the Appendix in order to describe the nonexponential long-time behavior of time-correlation functions. Within the mathematical framework of fractional calculus the power law decay ∼t(-σ), where σ is a parameter of the

  20. Quantum field kinetics of QCD quark-gluon transport theory for light-cone dominated processes

    CERN Document Server

    Kinder-Geiger, Klaus

    1996-01-01

    A quantum kinetic formalism is developed to study the dynamical interplay of quantum and statistical-kinetic properties of non-equilibrium multi-parton 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 `closed-time-path' 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 2-point functions of the gluon and quark fields. By exploiting the `two-scale nature' 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 inter- actions, the quantum-field equations of ...

  1. 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.

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

    Science.gov (United States)

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

    2016-09-01

    In most animals, the acquisition of the essential trace metal iron (Fe) is achieved by the gut, but in hagfishes, the skin is a nutrient absorbing epithelium, and thus may also play a role in Fe uptake. In the current study, the absorption of Fe, as Fe(II), across the intestinal and cutaneous epithelia of Pacific hagfish (Eptatretus cirrhatus) was investigated. Both epithelia absorbed Fe, with saturation at lower tested concentrations, superseded by a diffusive component at higher Fe exposure concentrations. Affinity constants (Km) of 9.4 and 137μM, and maximal Fe transport rates (Jmax) of 0.81 and 0.57nmolcm(-2)h(-1) were determined for the skin and the gut, respectively. This characterises the skin as a relatively high-affinity Fe transport epithelium. The majority of the absorbed Fe in the skin remained in the tissue, whereas in the gut, most absorbed Fe was found in the serosal fluid, suggesting distinct mechanisms of Fe handling between the two epithelia. To determine if reduced dissolved oxygen altered Fe transport, hagfish were subjected to hypoxia for 24h, before Fe transport was again assessed. Hypoxia had no effect on Fe transport across gut or skin, likely owing to the relative lack of change in haematological variables, and thus an unaltered Fe demand under such conditions. These data are the first to kinetically characterise the absorption of a nutritive trace metal across the epithelia of hagfish and add to the growing understanding of the role of the skin in nutritive transport in this group. Copyright © 2016 Elsevier Inc. All rights reserved.

  3. Water flow and solute transport in floating fen root mats

    Science.gov (United States)

    Stofberg, Sija F.; EATM van der Zee, Sjoerd

    2015-04-01

    be very similar and likely functionally related. Our experimental field data were used for modelling water flow and solute transport in floating fens, using HYDRUS 2D. Fluctuations of surface water and root mat, as well as geometry and unsaturated zone parameters can have a major influence on groundwater fluctuations and the exchange between rain and surface water and the water in the root mats. In combination with the duration of salt pulses in surface water, and sensitivity of fen plants to salinity (Stofberg et al. 2014, submitted), risks for rare plants can be anticipated.

  4. Simulation of water transport through a lipid membrane

    Energy Technology Data Exchange (ETDEWEB)

    Marrink, S.J.; Berendsen, H.J.C. (Univ. of Groningen (Netherlands))

    1994-04-14

    To obtain insight in the process of water permeation through a lipid membrane we performed molecular dynamics simulations on a phospholipid (DPPC)/water system with atomic detail. Since the actual process of permeation is too slow to be studied directly, we deduced the permeation rate indirectly via computation of the free energy and diffusion rate profiles of a water molecule across the bilayer. We concluded that the permeation of water through a lipid membrane cannot be described adequately by a simple homogeneous solubility-diffusion model. Both the excess free energy and the diffusion rate strongly depend on the position in the membrane, as a result from the inhomogeneous nature of the membrane. The calculated excess free energy profile has a shallow slope and a maximum height of 26 kJ/mol. The diffusion rate is highest in the middle of the membrane where the lipid density is low. In the interfacial region almost all water molecules are bound by the lipid headgroups, and the diffusion turns out to be 1 order of magnitude smaller. The total transport process is essentially determined by the free energy barrier. 78 refs., 12 figs.

  5. Long-distance heat transport by hot water

    International Nuclear Information System (INIS)

    Munser, H.; Reetz, B.

    1990-01-01

    From the analysis of the centralized heat supply in the GDR energy-economical and ecological indispensable developments of long-distance heat systems in conurbation are derived. The heat extraction from a nuclear power plant combined with long- distance hot-water transport over about 110 kilometres is investigated and presented as a possibility to perspective base load heat demands for the district around Dresden. By help of industrial-economic, hydraulic and thermic evaluations of first design variants of the transit system the acceptance of this ecologic and energetic preferred solution is proved and requirements for its realization are shown

  6. Sorption of Arsenic from Desalination Concentrate onto Drinking Water Treatment Solids: Operating Conditions and Kinetics

    Directory of Open Access Journals (Sweden)

    Xuesong Xu

    2018-01-01

    Full Text Available Selective removal of arsenic from aqueous solutions with high salinity is required for safe disposal of the concentrate and protection of the environment. The use of drinking water treatment solids (DWTS to remove arsenic from reverse osmosis (RO concentrate was studied by batch sorption experiments. The impacts of solution chemistry, contact time, sorbent dosage, and arsenic concentration on sorption were investigated, and arsenic sorption kinetics and isotherms were modeled. The results indicated that DWTS were effective in removing arsenic from RO concentrate. The arsenic sorption process followed a pseudo-second-order kinetic model. Multilayer adsorption was simulated by Freundlich equation. The maximum sorption capacities were calculated to be 170 mg arsenic per gram of DWTS. Arsenic sorption was enhanced by surface precipitation onto the DWTS due to the high amount of calcium in the RO concentrate and the formation of ternary complexes between arsenic and natural organic matter (NOM bound by the polyvalent cations in DWTS. The interactions between arsenic and NOM in the solid phase and aqueous phase exhibited two-sided effects on arsenic sorption onto DWTS. NOM in aqueous solution hindered the arsenic sorption onto DWTS, while the high organic matter content in solid DWTS phase enhanced arsenic sorption.

  7. 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.

  8. Kinetics of the hydrogen production reaction in a copper-chlorine water splitting plant

    International Nuclear Information System (INIS)

    Zamfirescu, C.; Naterer, G.F.; Dincer, I.

    2009-01-01

    The exothermic reaction of HCl with particulate Cu occurs during hydrogen production step in the thermochemical copper-chlorine (Cu-Cl) water splitting cycle. In this paper, this chemical reaction is modeled kinetically, and a parametric study is performed to determine the influences of particle size, temperature and molar ratios on the reaction kinetics. It is determined that the residence time of copper particles varies between 10 and 100 s, depending on the operating conditions. The hydrogen conversion at equilibrium varies between 55 and 85%, depending on the reaction temperature. The heat flux at the particle surface, caused by the exothermic enthalpy of reaction, reaches about 3,000 W/m 2 when the particle shrinks to 0.1% from its initial size. A numerical algorithm is developed to solve the moving boundary Stefan problem with a chemical reaction. It predicts the shrinking of copper particles based on the hypothesis that the chemical reaction and heat transfer are decoupled. The model allows for estimation of the temperature of the copper particle, assumed spherical, in the radial direction. The maximum temperature at the interface is higher than the melting point of CuCl by 10-50 o C, depending on the assumed operating conditions. (author)

  9. Propagation of biochirality: crossovers and nonclassical crystallization kinetics of aspartic acid in water.

    Science.gov (United States)

    Lee, Tu; Lin, Yu Kun; Tsai, Ya Chung; Lee, Hung Lin

    2013-11-01

    All experimental procedures discussed could be treated as a screening tool for probing the existence of molecular association among the chiral molecules and the solvent system. The molecular association phases of a racemic conglomerate solution (CS) and a racemic compound solution (RCS), and the templating effect of aspartic acid solid surface were observed to minimize the chance of redissolving racemic conglomerate and racemic compound aspartic acid in water and reforming an RCS in crossovers experiments. Only 1 %wt% of l-aspartic acid was adequate enough to induce a transformation from a racemic compound aspartic acid to a racemic conglomerate aspartic acid. This would make the propagation of biochirality more feasible and sound. However, tetrapeptide, (l-aspartic acid)4 , failed to induce enantioseparation as templates purely by crystallization. Nonclassical crystallization theory was needed to take into account the existence of a CS. Fundamental parameters of the crystallization kinetics such as the induction time, interfacial energy, Gibbs energetic barrier, nucleation rate, and critical size of stable nuclei of: (i) racemic compound aspartic acid, (ii) racemic compound aspartic acid seeded with 1 %wt% l-aspartic acid, (iii) racemic conglomerate aspartic acid, and (iv) l-aspartic acid were evaluated and compared with different initial supersaturation ratios. Morphological studies of crystals grown from the crystallization kinetics were also carried out. © 2013 Wiley Periodicals, Inc.

  10. Electron transport parameters in CO$_2$: scanning drift tube measurements and kinetic computations

    OpenAIRE

    Vass, M.; Korolov, I.; Loffhagen, D.; Pinhao, N.; Donko, Z.

    2016-01-01

    This work presents transport coefficients of electrons (bulk drift velocity, longitudinal diffusion coefficient, and effective ionization frequency) in CO2 measured under time-of-flight conditions over a wide range of the reduced electric field, 15Td

  11. An entropic approach to magnetized nonlocal transport and other kinetic phenomena in high-energy-density plasmas

    International Nuclear Information System (INIS)

    Del-Sorbo, Dario

    2015-01-01

    Hydrodynamic simulations in high-energy-density physics and inertial confinement fusion require a detailed description of energy fluxes. The leading mechanism is the electron transport, which can be a nonlocal phenomenon that needs to be described with quasistationary and simplified Fokker-Planck models in large scale hydrodynamic codes. My thesis is dedicated to the development of a new nonlocal transport model based on a fast-moving-particles collision operator and on a first moment Fokker-Planck equation, simplified with an entropic closure relation. Such a closure enables a better description of the electron distribution function in the limit of high anisotropies, where small scale electrostatic instabilities could be excited. This new model, so called M1, is successfully compared with the well known nonlocal electron transport model proposed by Schurtz, Nicolai and Busquet, using different collision operators, and with the reduced Fokker-Planck model, based on a small-anisotropies polynomial closure relation (P1). Several typical configurations of heat transport are considered. We show that the M1 entropic model may operate in two and three dimensions and is able to account for electron transport modifications in external magnetic fields. Moreover, our model enables to compute realistic electron distribution functions, which can be used for kinetic studies, as for the plasma stability in the transport zone. It is demonstrated that the electron energy transport may strongly modify damping of Langmuir and ion acoustic waves, while the simplified nonlocal transport models are not able to describe accurately the modifications of the distribution function and plasma wave damping. The structure of the M1 model allows to naturally take into account self-generated magnetic fields, which play a crucial role in multidimensional simulations. Moreover, magnetic fields could also be used for the focusing of energetic particles in alternative ignition schemes. The M1 model

  12. Mineralogy controls on reactive transport of Marcellus Shale waters.

    Science.gov (United States)

    Cai, Zhang; Wen, Hang; Komarneni, Sridhar; Li, Li

    2018-07-15

    Produced or flowback waters from Marcellus Shale gas extraction (MSWs) typically are highly saline and contain chemicals including trace metals, which pose significant concerns on water quality. The natural attenuation of MSW chemicals in groundwater is poorly understood due to the complex interactions between aquifer minerals and MSWs, limiting our capabilities to monitor and predict. Here we combine flow-through experiments and process-based reactive transport modeling to understand mechanisms and quantify the retention of MSW chemicals in a quartz (Qtz) column, a calcite-rich (Cal) column, and a clay-rich (Vrm, vermiculite) column. These columns were used to represent sand, carbonate, and clay-rich aquifers. Results show that the types and extent of water-rock interactions differ significantly across columns. Although it is generally known that clay-rich media retard chemicals and that quartz media minimize water-rock interactions, results here have revealed insights that differ from previous thoughts. We found that the reaction mechanisms are much more complex than merely sorption and mineral precipitation. In clay rich media, trace metals participate in both ion exchange and mineral precipitation. In fact, the majority of metals (~50-90%) is retained in the solid via mineral precipitation, which is surprising because we typically expect the dominance of sorption in clay-rich aquifers. In the Cal column, trace metals are retained not only through precipitation but also solid solution partitioning, leading to a total of 75-99% retention. Even in the Qtz column, trace metals are retained at unexpectedly high percentages (~20-70%) due to precipitation. The reactive transport model developed here quantitatively differentiates the relative importance of individual processes, and bridges a limited number of experiments to a wide range of natural conditions. This is particularly useful where relatively limited knowledge and data prevent the prediction of complex rock

  13. Hydrological balance and water transport processes of partially sealed soils

    Science.gov (United States)

    Timm, Anne; Wessolek, Gerd

    2017-04-01

    With increased urbanisation, soil sealing and its drastic effects on hydrological processes have received a lot of attention. Based on safety concerns, there has been a clear focus on urban drainage and prevention of urban floods caused by storm water events. For this reason, any kind of sealing is often seen as impermeable runoff generator that prevents infiltration and evaporation. While many hydrological models, especially storm water models, have been developed, there are only a handful of empirical studies actually measuring the hydrological balance of (partially) sealed surfaces. These challenge the general assumption of negligible infiltration and evaporation and show that these processes take place even for severe sealing such as asphalt. Depending on the material, infiltration from partially sealed surfaces can be equal to that of vegetated ones. Therefore, more detailed knowledge is needed to improve our understanding and models. In Berlin, two partially sealed weighable lysimeters were equipped with multiple temperature and soil moisture sensors in order to study their hydrological balance, as well as water and heat transport processes within the soil profile. This combination of methods affirms previous observations and offers new insights into altered hydrological processes of partially sealed surfaces at a small temporal scale. It could be verified that not all precipitation is transformed into runoff. Even for a relatively high sealing degree of concrete slabs with narrow seams, evaporation and infiltration may exceed runoff. Due to the lack of plant roots, the hydrological balance is mostly governed by precipitation events and evaporation generally occurs directly after rainfall. However, both surfaces allow for upward water transport from the upper underlying soil layers, sometimes resulting in relatively low evaporation rates on days without precipitation. The individual response of the surfaces differs considerably, which illustrates how

  14. Oxidation kinetics of model compounds of metabolic waste in supercritical water

    Science.gov (United States)

    Webley, Paul A.; Holgate, Henry R.; Stevenson, David M.; Tester, Jefferson W.

    1990-01-01

    In this NASA-funded study, the oxidation kinetics of methanol and ammonia in supercritical water have been experimentally determined in an isothermal plug flow reactor. Theoretical studies have also been carried out to characterize key reaction pathways. Methanol oxidation rates were found to be proportional to the first power of methanol concentration and independent of oxygen concentration and were highly activated with an activation energy of approximately 98 kcal/mole over the temperature range 480 to 540 C at 246 bar. The oxidation of ammonia was found to be catalytic with an activation energy of 38 kcal/mole over temperatures ranging from 640 to 700 C. An elementary reaction model for methanol oxidation was applied after correction for the effect of high pressure on the rate constants. The conversion of methanol predicted by the model was in good agreement with experimental data.

  15. Chlorine dioxide oxidation of Escherichia coli in water - A study of the disinfection kinetics and mechanism.

    Science.gov (United States)

    Ofori, Isaac; Maddila, Suresh; Lin, Johnson; Jonnalagadda, Sreekantha B

    2017-06-07

    This study investigated the kinetics and mechanism of chlorine dioxide (ClO 2 ) inactivation of a Gram-negative bacteria Escherichia coli (ATCC 35218) in oxidant demand free (ODF) water in detail as a function of disinfectant concentration (0.5-5.0 mg/L), water pH (6.5-8.5), temperature variations (4-37°C) and bacterial density (10 5 -10 7 cfu/mL). The effects of ClO 2 on bacterial cell morphology, outer membrane permeability, cytoplasmic membrane disruption and intracellular enzymatic activity were also studied to elucidate the mechanism of action on the cells. Increasing temperature and disinfectant concentration were proportional to the rate of cell killing, but efficacy was found to be significantly subdued at 0.5 mg/L and less dependent on the bacterial density. The bactericidal efficiency was higher at alkaline pH of 8 or above as compared to neutral and slightly acidic pH of 7 and 6.5 respectively. The disinfection kinetic curves followed a biphasic pattern of rapid inactivation within the initial 2 min which were followed by a tailing even in the presence of residual biocide. The curves were adequately described by the C avg Hom model. Transmission Electron Microscopy images of the bacteria cells exposed to lethal concentrations of ClO 2 indicated very little observable morphological damage to the outer membranes of the cells. ClO 2 however was found to increase the permeability of the outer and cytoplasmic membranes leading to the leakage of membrane components such as 260 nm absorbing materials and inhibiting the activity of the intracellular enzyme β-D-galactosidase. It is suggested that the disruption of the cytoplasmic membrane and subsequent efflux of intracellular components result in the inactivation of the Gram-negative bacteria.

  16. Microbial pesticide removal in rapid sand filters for drinking water treatment – Potential and kinetics

    DEFF Research Database (Denmark)

    Hedegaard, Mathilde Jørgensen; Albrechtsen, Hans-Jørgen

    2014-01-01

    Filter sand samples, taken from aerobic rapid sand filters used for treating groundwater at three Danish waterworks, were investigated for their pesticide removal potential and to assess the kinetics of the removal process. Microcosms were set up with filter sand, treated water, and the pesticides...... or metabolites mecoprop (MCPP), bentazone, glyphosate and p-nitrophenol were applied in initial concentrations of 0.03–2.4 μg/L. In all the investigated waterworks the concentration of pesticides in the water decreased – MCPP decreased to 42–85%, bentazone to 15–35%, glyphosate to 7–14% and p-nitrophenol 1....../L) increased from 0.21%/g filter sand to 0.75%/g filter sand, when oxygen availability was increased from 0.28 mg O2/g filter sand to 1.09 mg O2/g filter sand. Bentazone was initially cleaved in the removal process. A metabolite, which contained the carbonyl group, was removed rapidly from the water phase...

  17. Efficient hydrogen production on MoNi4 electrocatalysts with fast water dissociation kinetics

    Science.gov (United States)

    Zhang, Jian; Wang, Tao; Liu, Pan; Liao, Zhongquan; Liu, Shaohua; Zhuang, Xiaodong; Chen, Mingwei; Zschech, Ehrenfried; Feng, Xinliang

    2017-05-01

    Various platinum-free electrocatalysts have been explored for hydrogen evolution reaction in acidic solutions. However, in economical water-alkali electrolysers, sluggish water dissociation kinetics (Volmer step) on platinum-free electrocatalysts results in poor hydrogen-production activities. Here we report a MoNi4 electrocatalyst supported by MoO2 cuboids on nickel foam (MoNi4/MoO2@Ni), which is constructed by controlling the outward diffusion of nickel atoms on annealing precursor NiMoO4 cuboids on nickel foam. Experimental and theoretical results confirm that a rapid Tafel-step-decided hydrogen evolution proceeds on MoNi4 electrocatalyst. As a result, the MoNi4 electrocatalyst exhibits zero onset overpotential, an overpotential of 15 mV at 10 mA cm-2 and a low Tafel slope of 30 mV per decade in 1 M potassium hydroxide electrolyte, which are comparable to the results for platinum and superior to those for state-of-the-art platinum-free electrocatalysts. Benefiting from its scalable preparation and stability, the MoNi4 electrocatalyst is promising for practical water-alkali electrolysers.

  18. 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

  19. 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

  20. Iron oxidation kinetics and phosphate immobilization along the flow-path from groundwater into surface water

    Science.gov (United States)

    van der Grift, B.; Rozemeijer, J. C.; Griffioen, J.; van der Velde, Y.

    2014-11-01

    The retention of phosphorus in surface waters through co-precipitation of phosphate with Fe-oxyhydroxides during exfiltration of anaerobic Fe(II) rich groundwater is not well understood. We developed an experimental field set-up to study Fe(II) oxidation and P immobilization along the flow-path from groundwater into surface water in an agricultural experimental catchment of a small lowland river. We physically separated tube drain effluent from groundwater discharge before it entered a ditch in an agricultural field. Through continuous discharge measurements and weekly water quality sampling of groundwater, tube drain water, exfiltrated groundwater, and surface water, we investigated Fe(II) oxidation kinetics and P immobilization processes. The oxidation rate inferred from our field measurements closely agreed with the general rate law for abiotic oxidation of Fe(II) by O2. Seasonal changes in climatic conditions affected the Fe(II) oxidation process. Lower pH and lower temperatures in winter (compared to summer) resulted in low Fe oxidation rates. After exfiltration to the surface water, it took a couple of days to more than a week before complete oxidation of Fe(II) is reached. In summer time, Fe oxidation rates were much higher. The Fe concentrations in the exfiltrated groundwater were low, indicating that dissolved Fe(II) is completely oxidized prior to inflow into a ditch. While the Fe oxidation rates reduce drastically from summer to winter, P concentrations remained high in the groundwater and an order of magnitude lower in the surface water throughout the year. This study shows very fast immobilization of dissolved P during the initial stage of the Fe(II) oxidation process which results in P-depleted water before Fe(II) is completely depleted. This cannot be explained by surface complexation of phosphate to freshly formed Fe-oxyhydroxides but indicates the formation of Fe(III)-phosphate precipitates. The formation of Fe(III)-phosphates at redox gradients

  1. SPECT imaging of dopamine and serotonin transporters with [[sup 123]I][beta]-CIT. Binding kinetics in the human brain

    Energy Technology Data Exchange (ETDEWEB)

    Bruecke, T; Asenbaum, S; Frassine, H; Podreka, I [Vienna Univ. (Austria). Neurologische Klinik; Kornhuber, J [Wuerzburg Univ. (Germany); Angelberger, P [Oesterreichisches Forschungszentrum Seibersdorf GmbH (Austria)

    1993-01-01

    Single photon emission computerized tomography (SPECT) studies in non-human primates have previously shown that the cocaine derivative [[sup 123]I]-2-[beta]-carbomethoxy-3-[beta]-(4-iodophenyl)-tropane ([[sup 123]I][beta]-CIT) labels dopamine transporters in the striatum and serotonin transporters in the hypothalamus-midbrain area. Here, we report on the regional kinetic uptake of [[sup 123]I][beta]-CIT in the brain of 4 normal volunteers and 2 patients with Parkinson's disease. In healthy subjects striatal activity increased slowly to reach peak values at about 20 hours post injection. In the hypothalamus-midbrain area peak activities were observed at about 4 hours with a slow decrease thereafter. Low activity was observed in cortical and cerebellar areas. The striatal to cerebellar ratio was about 4 after 5 hours and 9 after 20 hours. In 2 patients with idiopathic Parkinson's disease striatal activity was markedly decreased while the activity in hypothalamus-midbrain areas was only diminished. Uptake into cortical and cerebellar areas appeared to be unchanged in Parkinson's disease. Consequently, in Parkinson's disease the striatal to cerebellar ratio was decreased to values around 2.5 after 20 hours. These preliminary methodological studies suggest that [[sup 123]I][beta]-CIT is a useful SPECT ligand for studying dopamine and possibly also serotonin transporters in the living human brain.

  2. 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.

  3. 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)

  4. Influence of excited molecules on electron swarm transport coefficients and gas discharge kinetics

    International Nuclear Information System (INIS)

    Petrovic, Z.L.; Jovanovic, J.V.; Raspopovic, Z.M.; Bzenic, S.A.; Vrhovac, S.B.

    1997-01-01

    In this paper we study different effects of excited molecules on swarm parameters, electron energy distribution functions and gas discharge modeling. First we discuss a possible experiment in parahydrogen to resolve the discrepancy in hydrogen vibrational excitation cross section data. Negative differential conductivity (NDC) is a kinetic phenomenon which manifests itself in a particular dependence of the drift velocity on E=N and it is affected by superelastic collisions with excited states. A complete kinetic scheme for argon required to model excited state densities in gas discharges is also described. These results are used to explain experiments in capacitively and inductively coupled RF plasmas used for processing. The paper illustrates the application of atomic and molecular collision data, swarm data and the theoretical techniques in modeling of gas discharges with large abundances of excited molecules. It is pointed out that swarm experiments with excited molecules are lacking and that there is a shortage of reliable data, while the numerical procedures are sufficiently developed to include all the important effects. (authors). 59 refs., 12 figs

  5. 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....

  6. 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.

  7. Growth kinetics and mass transport mechanisms of GaN columns by selective area metal organic vapor phase epitaxy

    Science.gov (United States)

    Wang, Xue; Hartmann, Jana; Mandl, Martin; Sadat Mohajerani, Matin; Wehmann, Hergo-H.; Strassburg, Martin; Waag, Andreas

    2014-04-01

    Three-dimensional GaN columns recently have attracted a lot of attention as the potential basis for core-shell light emitting diodes for future solid state lighting. In this study, the fundamental insights into growth kinetics and mass transport mechanisms of N-polar GaN columns during selective area metal organic vapor phase epitaxy on patterned SiOx/sapphire templates are systematically investigated using various pitch of apertures, growth time, and silane flow. Species impingement fluxes on the top surface of columns Jtop and on their sidewall Jsw, as well as, the diffusion flux from the substrate Jsub contribute to the growth of the GaN columns. The vertical and lateral growth rates devoted by Jtop, Jsw and Jsub are estimated quantitatively. The diffusion length of species on the SiOx mask surface λsub as well as on the sidewall surfaces of the 3D columns λsw are determined. The influences of silane on the growth kinetics are discussed. A growth model is developed for this selective area metal organic vapor phase epitaxy processing.

  8. 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

  9. Effect of pyrazinamide and probenecid on peritoneal urate transport kinetics during continuous ambulatory peritoneal dialysis.

    Science.gov (United States)

    Spaia, S; Magoula, I; Tsapas, G; Vayonas, G

    2000-01-01

    We administered pyrazinamide (PZA) and probenecid (PB) --two well-known modulators of urate transport via the proximal tubules - to evaluate their impact on urate transport through the peritoneal membrane and to clarify mechanisms affecting peritoneal transport. A continuous ambulatory peritoneal dialysis (CAPD) unit in 2nd Hospital of IKA (Social Services Institute), Greece. In 20 stable CAPD patients, on the study day, a 4-hour, 2-L, 1.36% glucose exchange was performed (control exchange). Pyrazinamide 3 g was given orally and another identical exchange was performed (study exchange). The same protocol was repeated with 2 g PB. KtN, peritoneal clearances of urea, creatinine, and urate for each exchange, and mass transfer area coefficients (MTAC) for the three solutes and their dialysate-to-plasma concentration (D/P) ratios were used to estimate peritoneal transport. Administration of PZA resulted in decreased clearances and MTAC values for the three solutes. The D/P ratio decreased significantly only for urate, indicating a more intense influence of PZA on urate. After PB administration, clearances of urea, creatinine, and urate were increased. MTAC and DIP ratio increased significantly only for urate (p rates.

  10. A water activity based model of heterogeneous ice nucleation kinetics for freezing of water and aqueous solution droplets.

    Science.gov (United States)

    Knopf, Daniel A; Alpert, Peter A

    2013-01-01

    Immersion freezing of water and aqueous solutions by particles acting as ice nuclei (IN) is a common process of heterogeneous ice nucleation which occurs in many environments, especially in the atmosphere where it results in the glaciation of clouds. Here we experimentally show, using a variety of IN types suspended in various aqueous solutions, that immersion freezing temperatures and kinetics can be described solely by temperature, T, and solution water activity, a(w), which is the ratio of the vapour pressure of the solution and the saturation water vapour pressure under the same conditions and, in equilibrium, equivalent to relative humidity (RH). This allows the freezing point and corresponding heterogeneous ice nucleation rate coefficient, J(het), to be uniquely expressed by T and a(w), a result we term the a(w) based immersion freezing model (ABIFM). This method is independent of the nature of the solute and accounts for several varying parameters, including cooling rate and IN surface area, while providing a holistic description of immersion freezing and allowing prediction of freezing temperatures, J(het), frozen fractions, ice particle production rates and numbers. Our findings are based on experimental freezing data collected for various IN surface areas, A, and cooling rates, r, of droplets variously containing marine biogenic material, two soil humic acids, four mineral dusts, and one organic monolayer acting as IN. For all investigated IN types we demonstrate that droplet freezing temperatures increase as A increases. Similarly, droplet freezing temperatures increase as the cooling rate decreases. The log10(J(het)) values for the various IN types derived exclusively by Tand a(w), provide a complete description of the heterogeneous ice nucleation kinetics. Thus, the ABIFM can be applied over the entire range of T, RH, total particulate surface area, and cloud activation timescales typical of atmospheric conditions. Lastly, we demonstrate that ABIFM can

  11. BiOI/TiO{sub 2}-nanorod array heterojunction solar cell: Growth, charge transport kinetics and photoelectrochemical properties

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Lingyun; Daoud, Walid A., E-mail: wdaoud@cityu.edu.hk

    2015-01-01

    Highlights: • BiOI/TiO{sub 2} photoanodes were fabricated by a simple solvothermal/hydrothermal method. • BiOI/TiO{sub 2} (PVP) showed a 13-fold increase in photocurrent density compared to TiO{sub 2}. • Charge transport kinetics within the BiOI/TiO{sub 2} heterojunctions are discussed. - Abstract: A series of BiOI/TiO{sub 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{sub 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{sub 2} (PVP) as photoanode can reach a short current density (J{sub sc}) of 0.13 mA/cm{sup 2} and open circuit voltage (V{sub oc}) of 0.46 V vs. Ag/AgCl under the irradiation of a 300 W Xenon lamp. Compared to bare TiO{sub 2}, the IPCE of BiOI/TiO{sub 2} (PVP) increased 4–5 times at 380 nm. Furthermore, the charge transport kinetics within the heterojunction is also discussed.

  12. 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

  13. Magnetoresistance in organic semiconductors: Including pair correlations in the kinetic equations for hopping transport

    Science.gov (United States)

    Shumilin, A. V.; Kabanov, V. V.; Dediu, V. I.

    2018-03-01

    We derive kinetic equations for polaron hopping in organic materials that explicitly take into account the double occupation possibility and pair intersite correlations. The equations include simplified phenomenological spin dynamics and provide a self-consistent framework for the description of the bipolaron mechanism of the organic magnetoresistance. At low applied voltages, the equations can be reduced to those for an effective resistor network that generalizes the Miller-Abrahams network and includes the effect of spin relaxation on the system resistivity. Our theory discloses the close relationship between the organic magnetoresistance and the intersite correlations. Moreover, in the absence of correlations, as in an ordered system with zero Hubbard energy, the magnetoresistance vanishes.

  14. Water activated doping and transport in multilayered germanane crystals

    International Nuclear Information System (INIS)

    Young, Justin R; Johnston-Halperin, Ezekiel; Chitara, Basant; Cultrara, Nicholas D; Arguilla, Maxx Q; Jiang, Shishi; Fan, Fan; Goldberger, Joshua E

    2016-01-01

    The synthesis of germanane (GeH) has opened the door for covalently functionalizable 2D materials in electronics. Herein, we demonstrate that GeH can be electronically doped by incorporating stoichiometric equivalents of phosphorus dopant atoms into the CaGe 2 precursor. The electronic properties of these doped materials show significant atmospheric sensitivity, and we observe a reduction in resistance by up to three orders of magnitude when doped samples are measured in water-containing atmospheres. This variation in resistance is a result of water activation of the phosphorus dopants. Transport measurements in different contact geometries show a significant anisotropy between in-plane and out-of-plane resistances, with a much larger out-of-plane resistance. These measurements along with finite element modeling results predict that the current distribution in top-contacted crystals is restricted to only the topmost, water activated crystal layers. Taken together, these results pave the way for future electronic and optoelectronic applications utilizing group IV graphane analogues. (paper)

  15. A semi-Lagrangian transport method for kinetic problems with application to dense-to-dilute polydisperse reacting spray flows

    Energy Technology Data Exchange (ETDEWEB)

    Doisneau, François, E-mail: fdoisne@sandia.gov; Arienti, Marco, E-mail: marient@sandia.gov; Oefelein, Joseph C., E-mail: oefelei@sandia.gov

    2017-01-15

    For sprays, as described by a kinetic disperse phase model strongly coupled to the Navier–Stokes equations, the resolution strategy is constrained by accuracy objectives, robustness needs, and the computing architecture. In order to leverage the good properties of the Eulerian formalism, we introduce a deterministic particle-based numerical method to solve transport in physical space, which is simple to adapt to the many types of closures and moment systems. The method is inspired by the semi-Lagrangian schemes, developed for Gas Dynamics. We show how semi-Lagrangian formulations are relevant for a disperse phase far from equilibrium and where the particle–particle coupling barely influences the transport; i.e., when particle pressure is negligible. The particle behavior is indeed close to free streaming. The new method uses the assumption of parcel transport and avoids to compute fluxes and their limiters, which makes it robust. It is a deterministic resolution method so that it does not require efforts on statistical convergence, noise control, or post-processing. All couplings are done among data under the form of Eulerian fields, which allows one to use efficient algorithms and to anticipate the computational load. This makes the method both accurate and efficient in the context of parallel computing. After a complete verification of the new transport method on various academic test cases, we demonstrate the overall strategy's ability to solve a strongly-coupled liquid jet with fine spatial resolution and we apply it to the case of high-fidelity Large Eddy Simulation of a dense spray flow. A fuel spray is simulated after atomization at Diesel engine combustion chamber conditions. The large, parallel, strongly coupled computation proves the efficiency of the method for dense, polydisperse, reacting spray flows.

  16. Kinetic Monte Carlo simulations of water ice porosity: extrapolations of deposition parameters from the laboratory to interstellar space

    Science.gov (United States)

    Clements, Aspen R.; Berk, Brandon; Cooke, Ilsa R.; Garrod, Robin T.

    2018-02-01

    Using an off-lattice kinetic Monte Carlo model we reproduce experimental laboratory trends in the density of amorphous solid water (ASW) for varied deposition angle, rate and surface temperature. Extrapolation of the model to conditions appropriate to protoplanetary disks and interstellar dark clouds indicate that these ices may be less porous than laboratory ices.

  17. 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

  18. 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

  19. Effects of water blanching on polyphenol reaction kinetics and quality of cocoa beans

    Science.gov (United States)

    Menon, A. S.; Hii, C. L.; Law, C. L.; Suzannah, S.; Djaeni, M.

    2015-12-01

    Several studies have been reported on the potential health benefits of cocoa polyphenols. However, drying has an inhibitory effect on the substantial recovery of cocoa polyphenols. This is majorly because of the high degradation of polyphenol compounds as well as the enhanced activity of polyphenol oxidases; a pre-cursor for browning of polyphenols during drying. Pre-treatment technique such as water blanching (80° and 90°C for 5 min, 10 min and 15 min exposure times respectively) can inactivate the polyphenol oxidases enzyme and promote high percent of the polyphenol recovery in dried cocoa bean. The degradation kinetics of cocoa polyphenols during hot water blanching are analyzed; The rate constant for the polyphenol degradation after blanching was found to be ranging from 0.0208 to 0.0340 /min. The results for dried fresh cocoa beans showed an optimal level of polyphenol recovery (118 mg GAE/g) when blanched at 90°C for 5 minutes duration. The antioxidant activity is also analyzed using DPPH scavenging assay.

  20. Fluorescence kinetics of Trp-Trp dipeptide and its derivatives in water via ultrafast fluorescence spectroscopy.

    Science.gov (United States)

    Jia, Menghui; Yi, Hua; Chang, Mengfang; Cao, Xiaodan; Li, Lei; Zhou, Zhongneng; Pan, Haifeng; Chen, Yan; Zhang, Sanjun; Xu, Jianhua

    2015-08-01

    Ultrafast fluorescence dynamics of Tryptophan-Tryptophan (Trp-Trp/Trp2) dipeptide and its derivatives in water have been investigated using a picosecond resolved time correlated single photon counting (TCSPC) apparatus together with a femtosecond resolved upconversion spectrophotofluorometer. The fluorescence decay profiles at multiple wavelengths were fitted by a global analysis technique. Nanosecond fluorescence kinetics of Trp2, N-tert-butyl carbonyl oxygen-N'-aldehyde group-l-tryptophan-l-tryptophan (NBTrp2), l-tryptophan-l-tryptophan methyl ester (Trp2Me), and N-acetyl-l-tryptophan-l-tryptophan methyl ester (NATrp2Me) exhibit multi-exponential decays with the average lifetimes of 1.99, 3.04, 0.72 and 1.22ns, respectively. Due to the intramolecular interaction between two Trp residues, the "water relaxation" lifetime was observed around 4ps, and it is noticed that Trp2 and its derivatives also exhibit a new decay with a lifetime of ∼100ps, while single-Trp fluorescence decay in dipeptides/proteins shows 20-30ps. The intramolecular interaction lifetime constants of Trp2, NBTrp2, Trp2Me and NATrp2Me were then calculated to be 3.64, 0.93, 11.52 and 2.40ns, respectively. Candidate mechanisms (including heterogeneity, solvent relaxation, quasi static self-quenching or ET/PT quenching) have been discussed. Copyright © 2015. Published by Elsevier B.V.

  1. Fructose decomposition kinetics in organic acids-enriched high temperature liquid water

    Energy Technology Data Exchange (ETDEWEB)

    Li, Yinghua; Lu, Xiuyang; Yuan, Lei; Liu, Xin [Department of Chemical and Biochemical Engineering, Zhejiang University, Zheda Road 38, Hangzhou 310027, Zhejiang (China)

    2009-09-15

    Biomass continues to be an important candidate as a renewable resource for energy, chemicals, and feedstock. Decomposition of biomass in high temperature liquid water is a promising technique for producing industrially important chemicals such as 5-hydroxymethylfurfural (5-HMF), furfural, levulinic acid with high efficiency. Hexose, which is the hydrolysis product of cellulose, will be one of the most important starting chemicals in the coming society that is highly dependent on biomass. Taking fructose as a model compound, its decomposition kinetics in organic acids-enriched high temperature liquid water was studied in the temperature range from 180 C to 220 C under the pressure of 10 MPa to further improve reaction rate and selectivity of the decomposition reactions. The results showed that the reaction rate is greatly enhanced with the addition of organic acids, especially formic acid. The effects of temperature, residence time, organic acids and their concentrations on the conversion of fructose and yield of 5-HMF were investigated. The evaluated apparent activation energies of fructose decomposition are 126.8 {+-} 3.3 kJ mol{sup -1} without any catalyst, 112.0 {+-} 13.7 kJ mol{sup -1} catalyzed with formic acid, and 125.6 {+-} 3.8 kJ mol{sup -1} catalyzed with acetic acid, respectively, which shows no significant difference. (author)

  2. Kinetic model for reactivity in quaternary water-in-oil microemulsions.

    Science.gov (United States)

    García-Río, Luis; Hervella, Pablo

    2006-11-06

    A study was carried out on the nitrosation of piperazine (PIP) and N-methylbenzylamine (MeBzAm) by N-methyl-N-nitroso-p-toluenesulfonamide (MNTS) in quaternary microemulsions of tetradecyltrimethylammonium bromide (TTABr)/isooctane/alcohol/water, varying the nature and the concentration of the following alcohols: 1-pentanol, 1-hexanol, 1-heptanol, 1-octanol and 1-decanol keeping the [1-alcohol]/[TTABr] = 4 relationship constant. In addition a study was carried out on the influence of the alcohol concentration, working with molar relationships [1-hexanol]/[TTABr]=3, 4 and 5. On the basis of the molar volumes of the alcohol and surfactant and the concentration of alcohol at the interface it was possible to calculate the change in its volume with as varying compositions of the microemulsion. In order to interpret the experimental results a kinetic model was devised which takes into account the distribution of the reactants between the different pseudophases and the change in the volume of the interface. The rate constants at the interface of the microemulsion are lower than in pure water and are independent of the nature of the alcohol used as a cosurfactant and the molar relationship [alcohol]/[TTABr]. This independence indicates that the main role of the cosurfactant is to increase the volume of the interface with the consequent dilution of the reactants.

  3. Kinetic Study of Water Contaminants Adsorption by Bamboo Granular Activated and Non-Activated Carbon

    Directory of Open Access Journals (Sweden)

    Opololaoluwa Oladimarun Ijaola

    2013-10-01

    Full Text Available The adsorptive capacity of metal ions from surface water with activated and non-activated carbon derived from bamboo was investigated. The validation of adsorption kinetics of Cl, PO4 and Pb was done by pseudo-first and second order model while adsorption isotherms was proved by Langmuir and Freundlich isotherm model for activated and non- activated bamboo granular carbon. Generally, the amount of metal ions uptake increases with time and activation levels and the pH of bamboo granular carbon increase with activation. Similarly, the pore space of the activated carbon also increases with activation levels. The correlation coefficients (R2 show that the pseudo-second order model gave a better fit to the adsorption process with 0.9918 as the least value and 1.00 as the highest value as compared with the pseudo-first order with 0.813 as the highest value and 0 as the least. The Freundlich isotherm was more favorable when compared with the Langmuir isotherm in determining the adsorptive capacity of bamboo granular activated carbon. The study has shown that chemical activation increases the pore space, surface area and the pH of bamboo granular carbon which ultimately increases the adsorption rate of metal ions in the contaminated surface water.

  4. 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...

  5. Collisional Transport in a Low Aspect Ratio Tokamak -- Beyond the Drift Kinetic Formalism

    International Nuclear Information System (INIS)

    Gates, D.A.; White, R.B.

    2004-01-01

    Calculations of collisional thermal and particle diffusivities in toroidal magnetic plasma confinement devices order the toroidal gyroradius to be small relative to the poloidal gyroradius. This ordering is central to what is usually referred to as neoclassical transport theory. This ordering is incorrect at low aspect ratio, where it can often be the case that the toroidal gyroradius is larger than the poloidal gyroradius. We calculate the correction to the particle and thermal diffusivities at low aspect ratio by comparing the diffusivities as determined by a full orbit code (which we refer to as omni-classical diffusion) with those from a gyroaveraged orbit code (neoclassical diffusion). In typical low aspect ratio devices the omni-classical diffusion can be up to 2.5 times the calculated neoclassical value. We discuss the implications of this work on the analysis of collisional transport in low aspect ratio magnetic confinement experiments

  6. Kinetics of proton transport into influenza virions by the viral M2 channel.

    Directory of Open Access Journals (Sweden)

    Tijana Ivanovic

    Full Text Available M2 protein of influenza A viruses is a tetrameric transmembrane proton channel, which has essential functions both early and late in the virus infectious cycle. Previous studies of proton transport by M2 have been limited to measurements outside the context of the virus particle. We have developed an in vitro fluorescence-based assay to monitor internal acidification of individual virions triggered to undergo membrane fusion. We show that rimantadine, an inhibitor of M2 proton conductance, blocks the acidification-dependent dissipation of fluorescence from a pH-sensitive virus-content probe. Fusion-pore formation usually follows internal acidification but does not require it. The rate of internal virion acidification increases with external proton concentration and saturates with a pK(m of ∼4.7. The rate of proton transport through a single, fully protonated M2 channel is approximately 100 to 400 protons per second. The saturating proton-concentration dependence and the low rate of internal virion acidification derived from authentic virions support a transporter model for the mechanism of proton transfer.

  7. 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.

  8. 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...

  9. Kinetic transport is needed to reliably extract shear viscosity from pA and AA data arXiv

    CERN Document Server

    Kurkela, Aleksi; Wu, Bin

    The azimuthal anisotropies $v_n$ of particle spectra measured in proton-nucleus (pA) and nucleus-nucleus (AA) collisions play a key role in constraining QCD matter properties like the shear viscosity over entropy density ratio $\\eta/s$. Here, we compare calculations of $v_n$'s from viscous fluid dynamics and from kinetic transport which start both from the same initial conditions and which implement the same matter properties. We observe that both approaches lead to parametrically different $\\eta/s$-dependencies of the elliptic anisotropy $v_2$ and they may thus lead to quantitatively different results for the phenomenologically inferred value of $\\eta/s$. The parametric differences can be traced to the boost-invariant longitudinal expansion of pA and AA collisions which induces in fluid dynamic results of the $\\eta/s$-dependence of $v_2$ a dominant sensitivity on the initial conditions. Transport theory is free of this problem and it accounts for the order of magnitude of experimentally observed signal stren...

  10. From kinetic to collective behavior in thermal transport on semiconductors and semiconductor nanostructures

    International Nuclear Information System (INIS)

    Tomas, C. de; Lopeandia, A. F.; Alvarez, F. X.; Cantarero, A.

    2014-01-01

    We present a model which deepens into the role that normal scattering has on the thermal conductivity in semiconductor bulk, micro, and nanoscale samples. Thermal conductivity as a function of the temperature undergoes a smooth transition from a kinetic to a collective regime that depends on the importance of normal scattering events. We demonstrate that in this transition, the key point to fit experimental data is changing the way to perform the average on the scattering rates. We apply the model to bulk Si with different isotopic compositions obtaining an accurate fit. Then we calculate the thermal conductivity of Si thin films and nanowires by only introducing the effective size as additional parameter. The model provides a better prediction of the thermal conductivity behavior valid for all temperatures and sizes above 30 nm with a single expression. Avoiding the introduction of confinement or quantum effects, the model permits to establish the limit of classical theories in the study of the thermal conductivity in nanoscopic systems

  11. From kinetic to collective behavior in thermal transport on semiconductors and semiconductor nanostructures

    Energy Technology Data Exchange (ETDEWEB)

    Tomas, C. de; Lopeandia, A. F.; Alvarez, F. X., E-mail: xavier.alvarez@uab.cat [Department of Physics, Universitat Autònoma de Barcelona, 08193 Bellaterra, Catalonia (Spain); Cantarero, A. [Materials Science Institute, University of Valencia, P. O. Box 22085, 46071 Valencia (Spain)

    2014-04-28

    We present a model which deepens into the role that normal scattering has on the thermal conductivity in semiconductor bulk, micro, and nanoscale samples. Thermal conductivity as a function of the temperature undergoes a smooth transition from a kinetic to a collective regime that depends on the importance of normal scattering events. We demonstrate that in this transition, the key point to fit experimental data is changing the way to perform the average on the scattering rates. We apply the model to bulk Si with different isotopic compositions obtaining an accurate fit. Then we calculate the thermal conductivity of Si thin films and nanowires by only introducing the effective size as additional parameter. The model provides a better prediction of the thermal conductivity behavior valid for all temperatures and sizes above 30 nm with a single expression. Avoiding the introduction of confinement or quantum effects, the model permits to establish the limit of classical theories in the study of the thermal conductivity in nanoscopic systems.

  12. From kinetic to collective behavior in thermal transport on semiconductors and semiconductor nanostructures

    Science.gov (United States)

    de Tomas, C.; Cantarero, A.; Lopeandia, A. F.; Alvarez, F. X.

    2014-04-01

    We present a model which deepens into the role that normal scattering has on the thermal conductivity in semiconductor bulk, micro, and nanoscale samples. Thermal conductivity as a function of the temperature undergoes a smooth transition from a kinetic to a collective regime that depends on the importance of normal scattering events. We demonstrate that in this transition, the key point to fit experimental data is changing the way to perform the average on the scattering rates. We apply the model to bulk Si with different isotopic compositions obtaining an accurate fit. Then we calculate the thermal conductivity of Si thin films and nanowires by only introducing the effective size as additional parameter. The model provides a better prediction of the thermal conductivity behavior valid for all temperatures and sizes above 30 nm with a single expression. Avoiding the introduction of confinement or quantum effects, the model permits to establish the limit of classical theories in the study of the thermal conductivity in nanoscopic systems.

  13. Kinetics of plasma membrane electron transport in a pulmonary endothelial cell-column.

    Science.gov (United States)

    Olson, L E; Merker, M P; Bongard, R D; Brantmeier, B M; Audi, S H; Linehan, J H; Dawson, C A

    1998-01-01

    Thiazine dyes such as toluidine blue O (TBO) are reduced at the luminal endothelial surface. The purpose of this study was to determine the rate of this reaction in endothelial cells in culture. A multiple indicator dilution method was used to measure the reaction kinetics during transient passage of a TBO-containing bolus through a chromatographic column filled with bovine pulmonary arterial endothelial cells grown on microcarrier beads (cell-column). A bolus containing TBO and an inert extracellular reference indicator (FITC-Dextran) was injected upstream of the cell-column, and the indicator concentrations were measured downstream using on-line photodetection. The effects of column flow rate, PO2, and TBO concentration were studied. The fraction of TBO reduced upon passage through the cell-column decreased with increasing flow indicating that the reaction rate rather than TBO delivery controlled TBO reduction. The fraction of TBO reduced did not change with PO2 or dose in the ranges studied. TBO reduction was about 10 times that for steady state TBO sequestration by these cells which, along with the lack of a PO2 effect indicates that the rapid rate of reduction is not the rate-limiting step in steady state sequestration.

  14. The fusion code XGC: Enabling kinetic study of multi-scale edge turbulent transport in ITER

    Energy Technology Data Exchange (ETDEWEB)

    D' Azevedo, Eduardo [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Abbott, Stephen [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Koskela, Tuomas [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Worley, Patrick [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Ku, Seung-Hoe [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States); Ethier, Stephane [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States); Yoon, Eisung [Rensselaer Polytechnic Inst., Troy, NY (United States); Shephard, Mark [Rensselaer Polytechnic Inst., Troy, NY (United States); Hager, Robert [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States); Lang, Jianying [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States); Intel Corporation, Santa Clara, CA (United States); Choi, Jong [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Podhorszki, Norbert [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Klasky, Scott [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Parashar, Manish [Rutgers Univ., Piscataway, NJ (United States); Chang, Choong-Seock [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States)

    2017-01-01

    The XGC fusion gyrokinetic code combines state-of-the-art, portable computational and algorithmic technologies to enable complicated multiscale simulations of turbulence and transport dynamics in ITER edge plasma on the largest US open-science computer, the CRAY XK7 Titan, at its maximal heterogeneous capability, which have not been possible before due to a factor of over 10 shortage in the time-to-solution for less than 5 days of wall-clock time for one physics case. Frontier techniques such as nested OpenMP parallelism, adaptive parallel I/O, staging I/O and data reduction using dynamic and asynchronous applications interactions, dynamic repartitioning.

  15. Pore-level flow, transport, agglomeration, and reaction kinetics of microorganisms

    International Nuclear Information System (INIS)

    Fauci, L.; Gaver, D.; Moore, P.; Papadopoulos, K.; Sharma, B.

    1993-01-01

    The overall goal of this research project is to improve the characterization and assessment techniques currently being used to evaluate bioremediation alternatives. This will be accomplished by investigating the phenomena and processes that affect the fate and transport of pollutants and microorganisms at the microscopic level. The specific research objectives are: Quantify the physical constants relevant to the interfacial adsorption of bacteria; Examine the bacteriological properties associated with the bioremediation of a toxin using a microscopic viewpoint; and Determine the detailed pore-level behavior of contaminants and microorganisms in a system with adsorbed contamination

  16. 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...

  17. 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

  18. Comparison of one-dimensional and point kinetics for various light water reactor transients

    International Nuclear Information System (INIS)

    Naser, J.A.; Lin, C.; Gose, G.C.; McClure, J.A.; Matsui, Y.

    1985-01-01

    The object of this paper is to compare the results from the three kinetics options: 1) point kinetics; 2) point kinetics by not changing the shape function; and 3) one-dimensional kinetics for various transients on both BWRs and PWRs. A systematic evaluation of the one-dimensional kinetics calculation and its alternatives is performed to determine the status of these models and to identify additional development work. In addition, for PWRs, the NODEP-2 - NODETRAN and SIMULATE - SIMTRAN paths for calculating kinetics parameters are compared. This type of comparison has not been performed before and is needed to properly evaluate the RASP methodology of which these codes are a part. It should be noted that RASP is in its early pre-release stage and this is the first serious attempt to examine the consistency between these two similar but different methods of generating physics parameters for the RETRAN computer code

  19. 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)

  20. Advanced methodology to simulate boiling water reactor transient using coupled thermal-hydraulic/neutron-kinetic codes

    Energy Technology Data Exchange (ETDEWEB)

    Hartmann, Christoph Oliver

    2016-06-13

    Coupled Thermal-hydraulic/Neutron-kinetic (TH/NK) simulations of Boiling Water Reactor transients require well validated and accurate simulation tools. The generation of cross-section (XS) libraries, depending on the individual thermal-hydraulic state parameters, is of paramount importance for coupled simulations. Problem-dependent XS-sets for 3D core simulations are being generated mainly by well validated, fast running commercial and user-friendly lattice codes such as CASMO and HELIOS. In this dissertation a computational route, based on the lattice code SCALE6/TRITON, the cross-section interface GenPMAXS, the best-estimate thermal-hydraulic system code TRACE and the core simulator PARCS, for best-estimate simulations of Boiling Water (BWR) transients has been developed and validated. The computational route has been supplemented by a subsequent uncertainty and sensitivity study based on Monte Carlo sampling and propagation of the uncertainties of input parameters to the output (SUSA code). The analysis of a single BWR fuel assembly depletion problem with PARCS using SCALE/TRITON cross-sections has been shown a good agreement with the results obtained with CASMO cross-section sets. However, to compensate the deficiencies of the interface program GenPMAXS, PYTHON scripts had to be developed to incorporate missing data, as the yields of Iodine, Xenon and Promethium, into the cross-section-data sets (PMAXS-format) generated by GenPMAXS from the SCALE/TRITON output. The results of the depletion analysis of a full BWR core with PARCS have indicated the importance of considering history effects, adequate modeling of the reflector region and the control rods, as the PARCS simulations for depleted fuel and all control rods inserted (ARI) differs significantly at the fuel assembly top and bottom. Systematic investigations with the coupled codes TRACE/PARCS have been performed to analyse the core behaviour at different thermal conditions using nuclear data (XS

  1. Tripoli-4, a three-dimensional poly-kinetic particle transport Monte-Carlo code

    International Nuclear Information System (INIS)

    Both, J.P.; Lee, Y.K.; Mazzolo, A.; Peneliau, Y.; Petit, O.; Roesslinger, B.; Soldevila, M.

    2003-01-01

    In this updated of the Monte-Carlo transport code Tripoli-4, we list and describe its current main features. The code computes coupled neutron-photon propagation as well as the electron-photon cascade shower. While providing the user with common biasing techniques, it also implements an automatic weighting scheme. Tripoli-4 enables the user to compute the following physical quantities: a flux, a multiplication factor, a current, a reaction rate, a dose equivalent rate as well as deposit of energy and recoil energies. For each interesting physical quantity, a Monte-Carlo simulation offers different types of estimators. Tripoli-4 has support for execution in parallel mode. Special features and applications are also presented

  2. Tripoli-4, a three-dimensional poly-kinetic particle transport Monte-Carlo code

    Energy Technology Data Exchange (ETDEWEB)

    Both, J P; Lee, Y K; Mazzolo, A; Peneliau, Y; Petit, O; Roesslinger, B; Soldevila, M [CEA Saclay, Dir. de l' Energie Nucleaire (DEN/DM2S/SERMA/LEPP), 91 - Gif sur Yvette (France)

    2003-07-01

    In this updated of the Monte-Carlo transport code Tripoli-4, we list and describe its current main features. The code computes coupled neutron-photon propagation as well as the electron-photon cascade shower. While providing the user with common biasing techniques, it also implements an automatic weighting scheme. Tripoli-4 enables the user to compute the following physical quantities: a flux, a multiplication factor, a current, a reaction rate, a dose equivalent rate as well as deposit of energy and recoil energies. For each interesting physical quantity, a Monte-Carlo simulation offers different types of estimators. Tripoli-4 has support for execution in parallel mode. Special features and applications are also presented.

  3. A KDE-Based Random Walk Method for Modeling Reactive Transport With Complex Kinetics in Porous Media

    Science.gov (United States)

    Sole-Mari, Guillem; Fernà ndez-Garcia, Daniel; Rodríguez-Escales, Paula; Sanchez-Vila, Xavier

    2017-11-01

    In recent years, a large body of the literature has been devoted to study reactive transport of solutes in porous media based on pure Lagrangian formulations. Such approaches have also been extended to accommodate second-order bimolecular reactions, in which the reaction rate is proportional to the concentrations of the reactants. Rather, in some cases, chemical reactions involving two reactants follow more complicated rate laws. Some examples are (1) reaction rate laws written in terms of powers of concentrations, (2) redox reactions incorporating a limiting term (e.g., Michaelis-Menten), or (3) any reaction where the activity coefficients vary with the concentration of the reactants, just to name a few. We provide a methodology to account for complex kinetic bimolecular reactions in a fully Lagrangian framework where each particle represents a fraction of the total mass of a specific solute. The method, built as an extension to the second-order case, is based on the concept of optimal Kernel Density Estimator, which allows the concentrations to be written in terms of particle locations, hence transferring the concept of reaction rate to that of particle location distribution. By doing so, we can update the probability of particles reacting without the need to fully reconstruct the concentration maps. The performance and convergence of the method is tested for several illustrative examples that simulate the Advection-Dispersion-Reaction Equation in a 1-D homogeneous column. Finally, a 2-D application example is presented evaluating the need of fully describing non-bilinear chemical kinetics in a randomly heterogeneous porous medium.

  4. 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)

  5. Peroxone mineralization of chemical oxygen demand for direct potable water reuse: Kinetics and process control.

    Science.gov (United States)

    Wu, Tingting; Englehardt, James D

    2015-04-15

    Mineralization of organics in secondary effluent by the peroxone process was studied at a direct potable water reuse research treatment system serving an occupied four-bedroom, four bath university residence hall apartment. Organic concentrations were measured as chemical oxygen demand (COD) and kinetic runs were monitored at varying O3/H2O2 dosages and ratios. COD degradation could be accurately described as the parallel pseudo-1st order decay of rapidly and slowly-oxidizable fractions, and effluent COD was reduced to below the detection limit (<0.7 mg/L). At dosages ≥4.6 mg L(-1) h(-1), an O3/H2O2 mass ratio of 3.4-3.8, and initial COD <20 mg/L, a simple first order decay was indicated for both single-passed treated wastewater and recycled mineral water, and a relationship is proposed and demonstrated to estimate the pseudo-first order rate constant for design purposes. At this O3/H2O2 mass ratio, ORP and dissolved ozone were found to be useful process control indicators for monitoring COD mineralization in secondary effluent. Moreover, an average second order rate constant for OH oxidation of secondary effluent organics (measured as MCOD) was found to be 1.24 × 10(7) ± 0.64 × 10(7) M(-1) S(-1). The electric energy demand of the peroxone process is estimated at 1.73-2.49 kW h electric energy for removal of one log COD in 1 m(3) secondary effluent, comparable to the energy required for desalination of medium strength seawater. Advantages/disadvantages of the two processes for municipal wastewater reuse are discussed. Copyright © 2015 Elsevier Ltd. All rights reserved.

  6. 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...

  7. 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.

  8. A computerized coal-water slurry transportation model

    Energy Technology Data Exchange (ETDEWEB)

    Ljubicic, B.R.; Trostad, B. [Univ. of North Dakota, Grand Forks, ND (United States); Bukurov, Z.; Cvijanovic, P. [Univ. of Novi Sad (Yugoslavia)

    1995-12-01

    Coal-water fuel (CWF) technology has been developed to the point where full-scale commercialization is just a matter of gaining sufficient market confidence in the price stability of alternate fossil fuels. In order to generalize alternative fuel cost estimates for the desired combinations of processing and/or transportation, a great deal of flexibility is required owing to the understood lack of precision in many of the newly emerging coal technologies. Previously, decisions regarding the sequential and spatial arrangement of the various process steps were made strictly on the basis of experience, simplified analysis, and intuition. Over the last decade, computer modeling has progressed from empirically based correlation to that of intricate mechanistic analysis. Nomograms, charts, tables, and many simple rules of thumb have been made obsolete by the availability of complex computer models. Given the ability to view results graphically in real or near real time, the engineer can immediately verify, from a practical standpoint, whether the initial assumptions and inputs were indeed valid. If the feasibility of a project is being determined in the context of a lack of specific data, the ability to provide a dynamic software-based solution is crucial. Furthermore, the resulting model can be used to establish preliminary operating procedures, test control logic, and train plant/process operators. Presented in this paper is a computerized model capable of estimating the delivered cost of CWF. The model uses coal-specific values, process and transport requirements, terrain factors, and input costs to determine the final operating configuration, bill of materials, and, ultimately, the capital, operating, and unit costs.

  9. Transport of thermal water from well to thermal baths

    Science.gov (United States)

    Montegrossi, Giordano; Vaselli, Orlando; Tassi, Franco; Nocentini, Matteo; Liccioli, Caterina; Nisi, Barbara

    2013-04-01

    The main problem in building a thermal bath is having a hot spring or a thermal well located in an appropriate position for customer access; since Roman age, thermal baths were distributed in the whole empire and often road and cities were built all around afterwards. Nowadays, the perspectives are changed and occasionally the thermal resource is required to be transported with a pipeline system from the main source to the spa. Nevertheless, the geothermal fluid may show problems of corrosion and scaling during transport. In the Ambra valley, central Italy, a geothermal well has recently been drilled and it discharges a Ca(Mg)-SO4, CO2-rich water at the temperature of 41 °C, that could be used for supplying a new spa in the surrounding areas of the well itself. The main problem is that the producing well is located in a forest tree ca. 4 km far away from the nearest structure suitable to host the thermal bath. In this study, we illustrate the pipeline design from the producing well to the spa, constraining the physical and geochemical parameters to reduce scaling and corrosion phenomena. The starting point is the thermal well that has a flow rate ranging from 22 up to 25 L/sec. The thermal fluid is heavily precipitating calcite (50-100 ton/month) due to the calcite-CO2 equilibrium in the reservoir, where a partial pressure of 11 bar of CO2 is present. One of the most vexing problems in investigating scaling processed during the fluid transport in the pipeline is that there is not a proper software package for multiphase fluid flow in pipes characterized by such a complex chemistry. As a consequence, we used a modified TOUGHREACT with Pitzer database, arranged to use Darcy-Weisbach equation, and applying "fictitious" material properties in order to give the proper y- z- velocity profile in comparison to the analytical solution for laminar fluid flow in pipes. This investigation gave as a result the lowest CO2 partial pressure to be kept in the pipeline (nearly 2

  10. 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.

  11. Fuel processing for PEM fuel cells: transport and kinetic issues of system design

    Science.gov (United States)

    Zalc, J. M.; Löffler, D. G.

    In light of the distribution and storage issues associated with hydrogen, efficient on-board fuel processing will be a significant factor in the implementation of PEM fuel cells for automotive applications. Here, we apply basic chemical engineering principles to gain insight into the factors that limit performance in each component of a fuel processor. A system consisting of a plate reactor steam reformer, water-gas shift unit, and preferential oxidation reactor is used as a case study. It is found that for a steam reformer based on catalyst-coated foils, mass transfer from the bulk gas to the catalyst surface is the limiting process. The water-gas shift reactor is expected to be the largest component of the fuel processor and is limited by intrinsic catalyst activity, while a successful preferential oxidation unit depends on strict temperature control in order to minimize parasitic hydrogen oxidation. This stepwise approach of sequentially eliminating rate-limiting processes can be used to identify possible means of performance enhancement in a broad range of applications.

  12. 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.

  13. 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

  14. 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

  15. 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.

  16. 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.

  17. Biofilm bacterial communities in urban drinking water distribution systems transporting waters with different purification strategies.

    Science.gov (United States)

    Wu, Huiting; Zhang, Jingxu; Mi, Zilong; Xie, Shuguang; Chen, Chao; Zhang, Xiaojian

    2015-02-01

    Biofilm formation in drinking water distribution systems (DWDS) has many adverse consequences. Knowledge of microbial community structure of DWDS biofilm can aid in the design of an effective control strategy. However, biofilm bacterial community in real DWDS and the impact of drinking water purification strategy remain unclear. The present study investigated the composition and diversity of biofilm bacterial community in real DWDSs transporting waters with different purification strategies (conventional treatment and integrated treatment). High-throughput Illumina MiSeq sequencing analysis illustrated a large shift in the diversity and structure of biofilm bacterial community in real DWDS. Proteobacteria, Firmicutes, Bacteroidetes, Actinobacteria, Nitrospirae, and Cyanobacteria were the major components of biofilm bacterial community. Proteobacteria (mainly Alphaproteobacteria, Betaproteobacteria, and Gammaproteobacteria) predominated in each DWDS biofilm, but the compositions of the dominant proteobacterial classes and genera and their proportions varied among biofilm samples. Drinking water purification strategy could shape DWDS biofilm bacterial community. Moreover, Pearson's correlation analysis indicated that Actinobacteria was positively correlated with the levels of total alkalinity and dissolved organic carbon in tap water, while Firmicutes had a significant positive correlation with nitrite nitrogen.

  18. 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.

  19. Ion Transport and Precipitation Kinetics as Key Aspects of Stress Generation on Pore Walls Induced by Salt Crystallization

    Science.gov (United States)

    Naillon, A.; Joseph, P.; Prat, M.

    2018-01-01

    The stress generation on pore walls due to the growth of a sodium chloride crystal in a confined aqueous solution is studied from evaporation experiments in microfluidic channels in conjunction with numerical computations of crystal growth. The study indicates that the stress buildup on the pore walls is a highly transient process taking place over a very short period of time (in less than 1 s in our experiments). The analysis makes clear that what matters for the stress generation is not the maximum supersaturation at the onset of the crystal growth but the supersaturation at the interface between the solution and the crystal when the latter is about to be confined between the pore walls. The stress generation is summarized in a simple stress diagram involving the pore aspect ratio and the Damkhöler number characterizing the competition between the precipitation reaction kinetics and the ion transport towards the growing crystal. This opens up the route for a better understanding of the damage of porous materials induced by salt crystallization, an important issue in Earth sciences, reservoir engineering, and civil engineering.

  20. Energization and Transport in 3D Kinetic Simulations of MMS Magnetopause Reconnection Site Encounters with Varying Guide Fields

    Science.gov (United States)

    Le, A.; Daughton, W. S.; Ohia, O.; Chen, L. J.; Liu, Y. H.

    2017-12-01

    We present 3D fully kinetic simulations of asymmetric reconnection with plasma parameters matching MMS magnetopause diffusion region crossings with varying guide fields of 0.1 [Burch et al., Science (2016)], 0.4 [Chen et al. JGR (2017)], and 1 [Burch and Phan, GRL (2016] of the reconnecting sheath field. Strong diamagnetic drifts across the magnetopause current sheet drive lower-hybrid drift instabilities (LHDI) over a range of wavelengths [Daughton, PoP (2003); Roytershteyn et al., PRL (2012)] that develop into a turbulent state. Magnetic field tracing diagnostics are employed to characterize the turbulent magnetic geometry and to evaluate the global reconnection rate. The contributions to Ohm's law are evaluated field line by field line, including time-averaged diagnostics that allow the quantification of anomalous resistivity and viscosity. We examine how fluctuating electric fields and chaotic magnetic field lines contribute to particle mixing across the separatrix, and we characterize the accelerated electron distributions that form under varying magnetic shear or guide field. The LHDI turbulence is found to strongly enhance transport and parallel electron heating in 3D compared to 2D, particularly along the magnetospheric separatrix [Le et al., GRL (2017)]. The PIC simulation results are compared to MMS observations.

  1. 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...

  2. Kinetic and Thermodynamics studies for Castor Oil Extraction Using Subcritical Water Technology.

    Science.gov (United States)

    Abdelmoez, Wael; Ashour, Eman; Naguib, Shahenaz M; Hilal, Amr; Al Mahdy, Dalia A; Mahrous, Engy A; Abdel-Sattar, Essam

    2016-06-01

    In this work both kinetic and thermodynamics of castor oil extraction from its seeds using subcritical water technique were studied. It was found that the extraction process followed two consecutive steps. In these steps, the oil was firstly extracted from inside the powder by diffusion mechanism. Then the extracted oil, due to extending the extraction time under high temperature and pressure, was subjected to a decomposition reaction following first order mechanism. The experimental data correlated well with the irreversible consecutive unimolecular-type first order mechanism. The values of both oil extraction rate constants and decomposition rate constants were calculated through non-linear fitting using DataFit software. The extraction rate constants were found to be 0.0019, 0.024, 0.098, 0.1 and 0.117 min(-1), while the decomposition rate constants were 0.057, 0.059, 0.014, 0.019 and 0.17 min(-1) at extraction temperatures of 240, 250, 260, 270 and 280°C, respectively. The thermodynamic properties of the oil extraction process were investigated using Arrhenius equation. The values of the activation energy, Ea, and the frequency factor, A, were 73 kJ mol(-1) and 946, 002 min(-1), respectively. The physicochemical properties of the extracted castor oil including the specific gravity, viscosity, acid value, pH value and calorific value were found to be 0.947, 7.487, 1.094 mg KOH/g, 6.1, and 41.5 MJ/Kg, respectively. Gas chromatography analysis showed that ricinoleic acid (83.6%) appears as the predominant fatty acid in the extracted oil followed by oleic acid (5.5%) and linoleic acid (2.3%).

  3. 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.

  4. 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.

  5. 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...

  6. Removal of triclosan via peroxidases-mediated reactions in water: Reaction kinetics, products and detoxification

    International Nuclear Information System (INIS)

    Li, Jianhua; Peng, Jianbiao; Zhang, Ya; Ji, Yuefei; Shi, Huanhuan; Mao, Liang; Gao, Shixiang

    2016-01-01

    Highlights: • Enzymatic treatment of triclosan in water by soybean and horseradish peroxidases. • pH, H_2O_2 concentration and enzyme dosage affected the removal efficiency of TCS. • The removal of TCS by SBP was more efficient than that of HRP. • K_C_A_T and K_C_A_T/K_M values for SBP toward TCS were much higher than those for HRP. • Polymers formed via radical coupling mechanism were nontoxic to the growth of alga. - Abstract: This study investigated and compared reaction kinetics, product characterization, and toxicity variation of triclosan (TCS) removal mediated by soybean peroxidase (SBP), a recognized potential peroxidase for removing phenolic pollutants, and the commonly used horseradish peroxidase (HRP) with the goal of assessing the technical feasibility of SBP-catalyzed removal of TCS. Reaction conditions such as pH, H_2O_2 concentration and enzyme dosage were found to have a strong influence on the removal efficiency of TCS. SBP can retain its catalytic ability to remove TCS over broad ranges of pH and H_2O_2 concentration, while the optimal pH and H_2O_2 concentration were 7.0 and 8 μM, respectively. 98% TCS was removed with only 0.1 U mL"−"1 SBP in 30 min reaction time, while an HRP dose of 0.3 U mL"−"1 was required to achieve the similar conversion. The catalytic performance of SBP towards TCS was more efficient than that of HRP, which can be explained by catalytic rate constant (K_C_A_T) and catalytic efficiency (K_C_A_T/K_M) for the two enzymes. MS analysis in combination with quantum chemistry computation showed that the polymerization products were generated via C−C and C−O coupling pathways. The polymers were proved to be nontoxic through growth inhibition of green alga (Scenedesmus obliquus). Taking into consideration of the enzymatic treatment cost, SBP may be a better alternative to HRP upon the removal and detoxification of TCS in water/wastewater treatment.

  7. Removal of triclosan via peroxidases-mediated reactions in water: Reaction kinetics, products and detoxification

    Energy Technology Data Exchange (ETDEWEB)

    Li, Jianhua; Peng, Jianbiao [State Key Laboratory of Pollution Control and Resource Reuse, School of the Environment, Nanjing University, Nanjing 210023 (China); Zhang, Ya [Nanjing Institute of Environmental Sciences, Ministry of Environmental Protection of the People’s Republic of China, Nanjing 210042 (China); Ji, Yuefei [College of Resources and Environmental Science, Nanjing Agricultural University, Nanjing 210095 (China); Shi, Huanhuan; Mao, Liang [State Key Laboratory of Pollution Control and Resource Reuse, School of the Environment, Nanjing University, Nanjing 210023 (China); Gao, Shixiang, E-mail: ecsxg@nju.edu.cn [State Key Laboratory of Pollution Control and Resource Reuse, School of the Environment, Nanjing University, Nanjing 210023 (China)

    2016-06-05

    Highlights: • Enzymatic treatment of triclosan in water by soybean and horseradish peroxidases. • pH, H{sub 2}O{sub 2} concentration and enzyme dosage affected the removal efficiency of TCS. • The removal of TCS by SBP was more efficient than that of HRP. • K{sub CAT} and K{sub CAT}/K{sub M} values for SBP toward TCS were much higher than those for HRP. • Polymers formed via radical coupling mechanism were nontoxic to the growth of alga. - Abstract: This study investigated and compared reaction kinetics, product characterization, and toxicity variation of triclosan (TCS) removal mediated by soybean peroxidase (SBP), a recognized potential peroxidase for removing phenolic pollutants, and the commonly used horseradish peroxidase (HRP) with the goal of assessing the technical feasibility of SBP-catalyzed removal of TCS. Reaction conditions such as pH, H{sub 2}O{sub 2} concentration and enzyme dosage were found to have a strong influence on the removal efficiency of TCS. SBP can retain its catalytic ability to remove TCS over broad ranges of pH and H{sub 2}O{sub 2} concentration, while the optimal pH and H{sub 2}O{sub 2} concentration were 7.0 and 8 μM, respectively. 98% TCS was removed with only 0.1 U mL{sup −1} SBP in 30 min reaction time, while an HRP dose of 0.3 U mL{sup −1} was required to achieve the similar conversion. The catalytic performance of SBP towards TCS was more efficient than that of HRP, which can be explained by catalytic rate constant (K{sub CAT}) and catalytic efficiency (K{sub CAT}/K{sub M}) for the two enzymes. MS analysis in combination with quantum chemistry computation showed that the polymerization products were generated via C−C and C−O coupling pathways. The polymers were proved to be nontoxic through growth inhibition of green alga (Scenedesmus obliquus). Taking into consideration of the enzymatic treatment cost, SBP may be a better alternative to HRP upon the removal and detoxification of TCS in water

  8. 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.

  9. Kinetic model for predicting the concentrations of active halogens species in chlorinated saline cooling waters. Final report

    International Nuclear Information System (INIS)

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

    1981-08-01

    A kinetic model has been developed for describing the speciation of chlorine-produced oxidants in seawater as a function of time. The model is applicable under a broad variety of conditions, including all pH range, salinities, temperatures, ammonia concentrations, organic amine concentrations, and chlorine doses likely to be encountered during power plant cooling water chlorination. However, the effects of sunlight are not considered. The model can also be applied to freshwater and recirculating water systems with cooling towers. The results of the model agree with expectation, however, complete verification is not feasible at the present because analytical methods for some of the predicted species are lacking

  10. Kinetic model for predicting the concentrations of active halogens species in chlorinated saline cooling waters. Final report

    Energy Technology Data Exchange (ETDEWEB)

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

    1981-08-01

    A kinetic model has been developed for describing the speciation of chlorine-produced oxidants in seawater as a function of time. The model is applicable under a broad variety of conditions, including all pH range, salinities, temperatures, ammonia concentrations, organic amine concentrations, and chlorine doses likely to be encountered during power plant cooling water chlorination. However, the effects of sunlight are not considered. The model can also be applied to freshwater and recirculating water systems with cooling towers. The results of the model agree with expectation, however, complete verification is not feasible at the present because analytical methods for some of the predicted species are lacking.

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

    OpenAIRE

    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 inferre...

  12. 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.

  13. 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.

  14. 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.

  15. Upscaling of Long-Term U9VI) Desorption from Pore Scale Kinetics to Field-Scale Reactive Transport Models

    Energy Technology Data Exchange (ETDEWEB)

    Andy Miller

    2009-01-25

    Environmental systems exhibit a range of complexities which exist at a range of length and mass scales. Within the realm of radionuclide fate and transport, much work has been focused on understanding pore scale processes where complexity can be reduced to a simplified system. In describing larger scale behavior, the results from these simplified systems must be combined to create a theory of the whole. This process can be quite complex, and lead to models which lack transparency. The underlying assumption of this approach is that complex systems will exhibit complex behavior, requiring a complex system of equations to describe behavior. This assumption has never been tested. The goal of the experiments presented is to ask the question: Do increasingly complex systems show increasingly complex behavior? Three experimental tanks at the intermediate scale (Tank 1: 2.4m x 1.2m x 7.6cm, Tank 2: 2.4m x 0.61m x 7.6cm, Tank 3: 2.4m x 0.61m x 0.61m (LxHxW)) have been completed. These tanks were packed with various physical orientations of different particle sizes of a uranium contaminated sediment from a former uranium mill near Naturita, Colorado. Steady state water flow was induced across the tanks using constant head boundaries. Pore water was removed from within the flow domain through sampling ports/wells; effluent samples were also taken. Each sample was analyzed for a variety of analytes relating to the solubility and transport of uranium. Flow fields were characterized using inert tracers and direct measurements of pressure head. The results show that although there is a wide range of chemical variability within the flow domain of the tank, the effluent uranium behavior is simple enough to be described using a variety of conceptual models. Thus, although there is a wide range in variability caused by pore scale behaviors, these behaviors appear to be smoothed out as uranium is transported through the tank. This smoothing of uranium transport behavior transcends

  16. 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).

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. Transport of water and ions in partially water-saturated porous media. Part 2. Filtration effects

    Science.gov (United States)

    Revil, A.

    2017-05-01

    A new set of constitutive equations describing the transport of the ions and water through charged porous media and considering the effect of ion filtration is applied to the problem of reverse osmosis and diffusion of a salt. Starting with the constitutive equations derived in Paper 1, I first determine specific formula for the osmotic coefficient and effective diffusion coefficient of a binary symmetric 1:1 salt (such as KCl or NaCl) as a function of a dimensionless number Θ corresponding to the ratio between the cation exchange capacity (CEC) and the salinity. The modeling is first carried with the Donnan model used to describe the concentrations of the charge carriers in the pore water phase. Then a new model is developed in the thin double layer approximation to determine these concentrations. These models provide explicit relationships between the concentration of the ionic species in the pore space and those in a neutral reservoir in local equilibrium with the pore space and the CEC. The case of reverse osmosis and diffusion coefficient are analyzed in details for the case of saturated and partially saturated porous materials. Comparisons are done with experimental data from the literature obtained on bentonite. The model predicts correctly the influence of salinity (including membrane behavior at high salinities), porosity, cation type (K+ versus Na+), and water saturation on the osmotic coefficient. It also correctly predicts the dependence of the diffusion coefficient of the salt with the salinity.

  2. 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.

  3. 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.

  4. Kinetics of Corrosion Inhibition of Aluminum in Acidic Media by Water-Soluble Natural Polymeric Pectates as Anionic Polyelectrolyte Inhibitors.

    Science.gov (United States)

    Hassan, Refat M; Zaafarany, Ishaq A

    2013-06-17

    Corrosion inhibition of aluminum (Al) in hydrochloric acid by anionic polyeletrolyte pectates (PEC) as a water-soluble natural polymer polysaccharide has been studied using both gasometric and weight loss techniques. The results drawn from these two techniques are comparable and exhibit negligible differences. The inhibition efficiency was found to increase with increasing inhibitor concentration and decrease with increasing temperature. The inhibition action of PEC on Al metal surface was found to obey the Freundlich isotherm. Factors such as the concentration and geometrical structure of the inhibitor, concentration of the corrosive medium, and temperature affecting the corrosion rates were examined. The kinetic parameters were evaluated and a suitable corrosion mechanism consistent with the kinetic results is discussed in the paper.

  5. Kinetics of Corrosion Inhibition of Aluminum in Acidic Media by Water-Soluble Natural Polymeric Pectates as Anionic Polyelectrolyte Inhibitors

    Directory of Open Access Journals (Sweden)

    Refat M. Hassan

    2013-06-01

    Full Text Available Corrosion inhibition of aluminum (Al in hydrochloric acid by anionic polyeletrolyte pectates (PEC as a water-soluble natural polymer polysaccharide has been studied using both gasometric and weight loss techniques. The results drawn from these two techniques are comparable and exhibit negligible differences. The inhibition efficiency was found to increase with increasing inhibitor concentration and decrease with increasing temperature. The inhibition action of PEC on Al metal surface was found to obey the Freundlich isotherm. Factors such as the concentration and geometrical structure of the inhibitor, concentration of the corrosive medium, and temperature affecting the corrosion rates were examined. The kinetic parameters were evaluated and a suitable corrosion mechanism consistent with the kinetic results is discussed in the paper.

  6. Kinetics of photocatalytic removal of 2-amino-5-chloropyridine from water

    Directory of Open Access Journals (Sweden)

    Abramović Biljana F.

    2004-01-01

    Full Text Available Titanium dioxide sensitized photocatalytic degradation of a pyridine pesticide analogue, 2-amino-5-chloropyridine, was investigated by monitoring the pyridine moiety degradation, as well as by monitoring the chloride generated in the process. Effect of the initial substrate concentration on the rate of its degradation is reported. Here we show that the kinetics of both reactions are of the zero-order in the entire investigated concentration range. The Langmuir-Hinshelwood kinetic model successfully described the influence of the initial substrate concentration on the rate of the pyridine moiety degradation. It was found that dechlorination of the substrate takes place by direct photolysis. The differences in the kinetics of pyridine moiety degradation and dechlorination were explained on the basis of the electrostatic potential for the investigated compound.

  7. Measurement of water transport from saturated pumice aggregates to hardening cement paste

    DEFF Research Database (Denmark)

    Lura, Pietro; Bentz, Dale; Lange, David A.

    2006-01-01

    In internal water curing of High Performance Concrete, it is fundamental to know how and when the water contained in the internal curing agent is released into the hydrating cement paste. In this study, X-ray absorption measurements showed that considerable transport of water from saturated pumice...... the crucial factor to avoid self-desiccation shrinkage at early-age....

  8. The impacts of water stress on phloem transport in Douglas-fir trees

    Science.gov (United States)

    David Woodruff

    2014-01-01

    Despite the critical role that phloem plays in a number of plant functional processes and the potential impact of water stress on phloem structural and phloem sap compositional characteristics, little research has been done to examine how water stress influences phloem transport. The objectives of this study were to develop a more accurate understanding of how water...

  9. 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.

  10. Whole-tree water transport scales with sapwood capacitance in tropical forest canopy trees.

    Science.gov (United States)

    F.C. Meinzer; S.A. James; G. Goldstein; D. Woodruff

    2003-01-01

    The present study examines the manner in which several whole-tree water transport properties scale with species specific variation in sapwood water storage capacity. The hypothesis that constraints on relationships between sapwood capacitance and other water relations characteristics lead to predictable scaling relationships between intrinsic capacitance and whole-tree...

  11. A Compilation of Rate Parameters of Water-Mineral Interaction Kinetics for Application to Geochemical Modeling

    Science.gov (United States)

    2004-03-01

    Eggleston C. M. (2002) Dissolution kinetics of magnesite in acidic solutions: A hydrothermal atomic force microscopy study assessing step kinetics and...glass dissolution: I. An experimental study of the dissolution rates of basaltic glass as a function of aqueous Al, Si and oxalic acid concentration at...Stillings L. L., Drever J. I., Brantley S. L., Sun Y., and Oxburgh R. (1996) Rates of feldspar dissolution at pH 3-7 with 0-8mM oxalic acid . Chem

  12. Water sorption and transport in dry crispy bread crust

    NARCIS (Netherlands)

    Meinders, M.B.J.; Nieuwenhuijzen, van N.H.; Tromp, R.H.; Hamer, R.J.; Vliet, van T.

    2010-01-01

    Water sorption and dynamical properties of bread crust have been studied using gravimetric sorption experiments. Water uptake and loss were followed while relative humidity (RH) was stepwise in- or decreased (isotherm experiment) or varied between two adjusted values (oscillatory experiment).

  13. 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.

  14. Water transport through tomato roots infected with Meloidogyne incognita.

    NARCIS (Netherlands)

    Dorhout, R.; Gommers, F.J.; Kollöffel, C.

    1991-01-01


    The effect of Meloidogyne incognita on water flow in tomato roots was investigated in rooted split-stem cuttings. Total water flow through infected root parts was significantly lower than through comparable uninfected parts. Total water uptake was correlated with total length of the root

  15. Water vapor and gas transport through PEO PBT block copolymers

    NARCIS (Netherlands)

    Metz, S.J.; Potreck, Jens; Mulder, M.H.V.; Wessling, Matthias

    2002-01-01

    Introduction At the bore well natural gas is saturated with water. Downstream the presence of water may cause: formation of methane hydrates (blocking eventually the pipeline), condensation of water in the pipeline and corrosion effects. A process used for the dehydration of natural gas is glycol

  16. 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

  17. Iowa Department of Transportation. - Clean Water Act Public Notice

    Science.gov (United States)

    The EPA is providing notice of a proposed Administrative Penalty Assessment against Iowa Department of Transportation, a state agency with its primary office located at 800 Lincoln Way, Ames, IA 50010, for alleged violations at two roadway construction pro

  18. Nebraska Department of Transportation - Clean Water Act Public Notice

    Science.gov (United States)

    The EPA is providing notice of a proposed Administrative Penalty Assessment against the Nebraska Department of Transportation, a state agency located at 1500 Highway 2, Lincoln, NE 68509, for alleged violations of its municipal separate stormwater sewer sy

  19. Water as a transport medium for waste out of towns

    DEFF Research Database (Denmark)

    Harremoës, P.

    1999-01-01

    The historical background for centralised water management in the cities of the developed world is outlined in order to give the rationale for the technical solutions we have inherited from the last century. The key element is maintaining the hygienic conditions in the cities. The success...... is illustrated by the absence of water-borne diseases in the modem developed city. A new paradigm is introduced based on added concern for the use of resources, pollution of the environment and the concern for the welfare of the coming generations. The water resource is not the unsustainable aspect of urban...... water use, because water is not lost, but polluted, which can be abated. Water can be re-routed and recycled. There are many attractive local solutions for better handling of urban water. (C) 1999 IAWQ Published by Elsevier Science Ltd.-All rights reserved....

  20. 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 results of applying a kinetic model to the chlorination data supplied by Commonwealth Edison on the once-through cooling system at the Quad Cities Nuclear Station provide a validation of the model. The two examples given demonstrate that the model may be applied to either once-through cooling systems or to cooling systems involving cooling towers

  1. 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

  2. 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.

  3. Transformation of ranitidine during water chlorination and ozonation: Moiety-specific reaction kinetics and elimination efficiency of NDMA formation potential.

    Science.gov (United States)

    Jeon, Dahee; Kim, Jisoo; Shin, Jaedon; Hidayat, Zahra Ramadhany; Na, Soyoung; Lee, Yunho

    2016-11-15

    Ranitidine can produce high yields of N-nitrosodimethylamine (NDMA) upon chloramination and its presence in water resources is a concern for water utilities using chloramine disinfection. This study assessed the efficiency of water chlorination and ozonation in transforming ranitidine and eliminating its NDMA formation potential (NDMA-FP) by determining moiety-specific reaction kinetics, stoichiometric factors, and elimination levels in real water matrices. Despite the fact that chlorine reacts rapidly with the acetamidine and thioether moieties of ranitidine (k>10(8)M(-1)s(-1) at pH 7), the NDMA-FP decreases significantly only when chlorine reacts with the less reactive tertiary amine (k=3×10(3)M(-1)s(-1) at pH 7) or furan moiety (k=81M(-1)s(-1) at pH 7). Ozone reacts rapidly with all four moieties of ranitidine (k=1.5×10(5)-1.6×10(6)M(-1)s(-1) at pH 7) and its reaction with the tertiary amine or furan moiety leads to complete elimination of the NDMA-FP. Treatments of ranitidine-spiked real water samples have shown that ozonation can efficiently deactivate ranitidine in water and wastewater treatment, while chlorination can be efficient for water containing low concentration of ammonia. This result can be applied to the other structurally similar, potent NDMA precursors. Copyright © 2016 Elsevier B.V. All rights reserved.

  4. Post synthetic modification of MIL-101(Cr) for S-shaped isotherms and fast kinetics with water adsorption

    International Nuclear Information System (INIS)

    Teo, How Wei Benjamin; Chakraborty, Anutosh; Kayal, Sibnath

    2017-01-01

    Highlights: • Modification of parent MIL-101(Cr) metal organic framework (MOF) employing alkali metal ions (Li + , Na + , K + ). • Surface characteristics of the parent and alkali doped MIL-101(Cr) adsorbents. • Water uptakes are measured for the temperatures ranging from 25 °C to 60 °C under static and dynamic conditions. • Isotherms and kinetics data are fitted with Langmuir analogy models. • The 5% Li-doped MIL-101(Cr) is suitable for adsorption cooling. - Abstract: This article presents the surface characteristics of alkali (Li + , Na + , K + ) doped MIL-101(Cr) metal organic frameworks (MOFs), and the structural properties are evaluated by scanning electron micrography (SEM), X-ray diffraction (XRD), thermo-gravimetric analyser (TGA) and N 2 adsorption analysis. The amount of water uptakes are measured by a gravimetric analyser for the temperatures ranging from 298 K to 333 K and pressures up to the saturated conditions. The experimentally measured isotherms and kinetics data are fitted with the equations developed from the concept of Langmuir analogy. The isosteric heat of adsorption is calculated employing Van’t Hoff equation in the pressure-temperature-uptake co-ordinate systems. The hydrophobic length at low pressure regions is shortened by the addition of alkali dopants. It is observed that the alkali (Na, K and Li) ions on MIL-101(Cr) MOF increase the water uptakes at lower relative pressure region with fast kinetics. We have shown here that the alkali doped MIL-101(Cr) MOFs can be used as potential adsorbents for various low temperature heat transmission applications such as adsorption assisted heat pump, cooling and desalination.

  5. RESOLUTION OF THE PROBLEM OF TREATMENT OF WASTE WATER GENERATED BY CAR WASHES AND TRANSPORT ENTERPRISES

    Directory of Open Access Journals (Sweden)

    Gogina Elena Sergeevna

    2012-12-01

    big cities of Russia. At the same time, the quality of the waste water treated by local water treatment stations fails to meet the present-day standard requirements. Moreover, potable water shall not be used for the purpose of washing transport vehicles. Within the recent 10 years, MGSU has developed a number of research projects aimed at the resolution of this problem. The concept developed by the MGSU specialists is to attain the highest quality of treated waste water generated by car washes and transport enterprises using the most advanced technologies of water treatment rather than to design new water treatment plants. Various methods may be applied for this purpose: restructuring of water treatment facilities, advanced feed, updated regulations governing the operation of water treatment plants.

  6. Water characteristics and transport of the Antarctic circumpolar current in the Indian Ocean

    Digital Repository Service at National Institute of Oceanography (India)

    Muraleedharan, P.M.; Mathew, B.

    Geostrophic velocities are computed across meridians 37 degrees E and 105 degrees E using hydrographic data. The estimated mass transport is represented on a temperature - salinity diagram. The characteristics of the water within the Antarctic...

  7. 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”....

  8. Iron oxidation kinetics and phosphorus immobilization at the groundwater-surface water interface

    NARCIS (Netherlands)

    van der Grift, Bas; Rozemeijer, Joachim; Griffioen, Jasper; van der Velde, Ype

    2014-01-01

    Eutrophication of freshwater environments following diffuse nutrient loads is a widely recognized water quality problem in catchments. Fluxes of non-point P sources to surface waters originate from surface runoff and flow from soil water and groundwater into surface water. The availability of P in

  9. Kinetics of reactions of oxidation of carbon by carbon dioxide and water steam at high temperatures and low pressures

    International Nuclear Information System (INIS)

    Boulangier, Francois

    1956-01-01

    The first objective of this research thesis was to obtain new and reliable experimental results about the reaction kinetics of the oxidation of carbon by carbon dioxide and water steam, and to avoid some disturbing phenomena, for example and more particularly the appearance of electric discharges beyond 1900 K initiated by the filament thermoelectric emission. The author tried to identify the mechanism of the accelerating effect. It appears that previous experiments had been performed only in these disturbed conditions. At the lowest temperatures, the author highlighted the existence of a surface contamination by the desorption products from the apparatus [fr

  10. Kinetics of Ultrasound-Assisted Flavonoid Extraction from Agri-Food Solid Wastes Using Water/Glycerol Mixtures

    Directory of Open Access Journals (Sweden)

    Dimitris P. Makris

    2016-01-01

    Full Text Available Red grape pomace (RGP and onion solid wastes (OSW were used as raw material to produce flavonoid-enriched extracts, using ultrasound-assisted solid-liquid extraction. The extraction medium used was composed of water and glycerol and under the conditions used the extraction of flavonoids from both materials was shown to obey first-order kinetics. Maximum diffusivities (De values were 4.01 × 10−11 and 2.35 × 10−11 m2·s−1, for RGP and OSW extraction, respectively, while the corresponding activation energies (Ea were 14.00 and 15.23 kJ·mol−1.

  11. Focus on adsorptive equilibrium, kinetics and thermodynamic components of petroleum produced water biocoagulation using novel Tympanotonos Fuscatus extract

    Directory of Open Access Journals (Sweden)

    Matthew Menkiti

    2018-03-01

    Full Text Available Adsorptive component of produced water (PW coagulation using Tympanotonos Fuscatus coagulant (TFC was studied. Influence of the following parameters: pH, coagulant dose, settling time, and temperature were investigated. The functional group, crystalline nature, morphological observation and thermal characteristics of the sample were evaluated. Equilibrium data were analyzed using Langmuir, Freundlich, Temkin, Frumkin, and Dubinin-Radushkevich (D-R adsorption isotherms. The kinetics data were fitted to reversible first order, pseudo-first-order, pseudo-second-order, elovich, intra-particle diffusion and Boyd kinetic models. Adsorption Gibbs energy, enthalpy and entropy were evaluated. Equilibrium data best fitted the Langmuir isotherm (R2 > 0.99; X2 < 1.6; SSE < 1.6. Reversible first order model correlated best to the kinetics data. The values of process average Gibb's free energy, enthalpy and entropy were 30.35, 27.88 and 0.1891 kJ/mol, respectively. The process was spontaneous, feasible and endothermic in nature. The maximum efficiency of 83.1% was favored at pH 2.0. This study indicated significant adsorptive component, while using Tympanotonos Fuscatus extract as readily available, renewable, ecofriendly bio – coagulant for efficient treatments of PW.

  12. Kinetic measurements of the hydrolytic degradation of cefixime: effect of Captisol complexation and water-soluble polymers.

    Science.gov (United States)

    Mallick, Subrata; Mondal, Arijit; Sannigrahi, Santanu

    2008-07-01

    We have taken kinetic measurements of the hydrolytic degradation of cefixime, and have studied the effect of Captisol complexation and water-soluble polymers on that degradation. The phase solubility of cefixime in Captisol was determined. Kinetic measurements were carried out as a function of pH and temperature. High-performance liquid chromatography (HPLC) was performed to assay all the samples of phase-solubility analysis and kinetic measurements. Chromatographic separation of the degradation products was also performed by HPLC. FT-IR spectroscopy was used to investigate the presence of any interaction between cefixime and Captisol and soluble polymer. The phase-solubility study showed A(L)-type behaviour. The pH-rate profile of cefixime exhibited a U-shaped profile whilst the degradation of cefixime alone was markedly accelerated with elevated temperature. A strong stabilizing influence of the cefixime-Captisol complexation and hypromellose was observed against aqueous mediated degradation, as compared with povidone and macrogol. The unfavourable effect of povidone and macrogol may have been due to the steric hindrance, which prevented the guest molecule from entering the cyclodextrin cavity, whereas hypromellose did not produce any steric hindrance.

  13. Transportation of spent fuel from light water reactors

    International Nuclear Information System (INIS)

    Bernard, H.

    1993-01-01

    The French 'Compagnie Generale des Matieres Nucleaires' - COGEMA - is involved in the whole nuclear fuel cycle about 20 years. Among the different parts of the cycle, the Transport of Radioactive Materials, acting as a link between the differents plants has a great importance. As nuclear material transportation is the only fuel cycle step to be performed on public grounds, the industrial task has to be performed with the utmost stringent safety criteria. COGEMA and associates is now operating a fully mature commercial activity, with some 300 spent fuel shipments per year from its reprocessing customer's reactors to the LA HAGUE plant, either by rail, road or sea. The paper will review the organization of COGEMA transportation business, the level of technology with an update of the casks used for spent fuel, and the operational experience, with a particular view of the maintenance policy. (author)

  14. Participation to the development of a kinetic model for the energy transport and deposition by using a fast electron beam in solid targets

    International Nuclear Information System (INIS)

    Hadj-Bachir, Mokrane

    2012-06-01

    Whereas existing codes (PIC, hybrid or kinetic) used to model electron transport by describing experimentally observed physical phenomena at different time scales and space scales are notably time and memory consuming (from several hours to several days of computing time), this academic work aimed at developing, from an existing code, a simple and quasi analytical model of transport of fast electron in intense current. This model allows the calculation of energy losses of beam electrons, as well as the heating a materials crossed within a relatively short time (about a minute), with ranges of about 100 microns and a resolution of about 1 micron. After a recall on the theory of fast electron transport, the author presents the structure of the code as it existed before this improvement work, and then the introduced modifications which addressed electronic conductivity, the collisional stopping power, and the distribution function. Obtained results are finally discussed

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

    Science.gov (United States)

    Szaleniec, V.; Buytaert, W.

    2012-04-01

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

  16. Traffic and transport technology-road, railway, and water-borne transportation

    Science.gov (United States)

    1990-01-01

    This is "Part 2: Case Studies - Chapter 9" of the book, "The Japanese Experience in Technology", and includes the following subsections: Modernization and the railway; The transportation network; Issues in railway policy; Original design and producti...

  17. 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.

  18. Evaluating the costs of desalination and water transport

    NARCIS (Netherlands)

    Zhou, Y.; Tol, R.S.J.

    2005-01-01

    Many regions of the world are facing formidable freshwater scarcity. Although there is substantial scope for economizing on the consumption of water without affecting its service level, the main response to water scarcity has been to increase the supply. To a large extent, this is done by

  19. Probing water structure and transport in proton exchange membranes

    NARCIS (Netherlands)

    Ling, X.

    2018-01-01

    Proton exchange membrane fuel cells (PEMFCs) have attracted tremendous attention as alternative energy sources because of their high energy density and practically zero greenhouse gas emission - water is their only direct by-product. Critical to the function of PEMFCs is fast proton and water

  20. Simulation of Water Transport through a Lipid Membrane

    NARCIS (Netherlands)

    Marrink, Siewert-Jan; Berendsen, Herman J.C.

    1994-01-01

    To obtain insight in the process of water permeation through a lipid membrane, we performed molecular dynamics simulations on a phospholipid (DPPC)/water system with atomic detail. Since the actual process of permeation is too slow to be studied directly, we deduced the permeation rate indirectly

  1. Simultaneous transport of water and solutes under transient ...

    Indian Academy of Sciences (India)

    trol salt movement from the soil surface through the root zone to the ground water and stream flows. .... found from the slope of early-time plot of q∞ vs. St. 1/2 and q∞ from the ..... nutrients in the soil water increases, it results in greater total ...

  2. Cesium, manganese and cobalt water-sediment transfer kinetics and diffusion into mangrove sediments inferred by radiotracer experiments

    International Nuclear Information System (INIS)

    Machado, E.C.; Machado, W.; Patchineelam, S.R.

    2012-01-01

    A study on the trace elements transfer from tidal water to mangrove sediments from Guanabara Bay (southeastern Brazil) was performed in laboratory microcosms. Sediment cores were covered with tidal water spiked with 137 Cs, 54 Mn and 57 Co during 5-h experiments, and water samples were taken at regular intervals to measure uptake kinetics at the sediment-water interface. At the end of the experiments, the uptake and diffusional penetration into the sediments was evaluated. Half-removal times from water to sediments were slightly higher for 137 Cs (3.4 ± 1.7 h) than observed for 54 Mn (2.3 ± 0.2 h) and 57 Co (2.6 ± 1.1 h). After these experiments, all radioisotopes presented decreasing activities with increasing sediment depth, being the distribution of 137 Cs indicative of higher diffusion within the upper 2 cm. This study on the removal of 137 Cs, 54 Mn and 57 Co from tidal water by mangrove sediments suggests that while 57 Co and 54 Mn presented closer behaviors, there was a slightly higher mobility of 137 Cs. (author)

  3. water alteration processes and kinetics of basaltic glasses, natural analogue of nuclear glasses

    International Nuclear Information System (INIS)

    Techer, I.; Advocat, Th.; Vernaz, E.; Lancelot, J.R.; Liotard, J.M.

    1997-01-01

    Dissolution experiments of a basaltic glass were carried out at 90 deg C for different reaction progresses. The initial dissolution rate was compared with values obtained for rhyolitic glass and the R7T7 nuclear glass. The activation energy was also determined by computing literature data. The results provide similar reactional mechanism for basaltic and nuclear glasses. Dissolution rates measured under saturation conditions were compared to theoretical dissolution rates. These ones were calculated using two kinetic models: the first rate equation is the Grambow's law which only takes into account ortho-silica acid activity; the second rate equation was proposed by Daux et al., where silica and aluminum are combined to formulate the affinity. The comparison between experimental and theoretical results point out that these two models are not appropriate to describe the alteration kinetic of basaltic glasses. (authors)

  4. Zirconium metal-water oxidation kinetics. III. Oxygen diffusion in oxide and alpha Zircaloy phases

    International Nuclear Information System (INIS)

    Pawel, R.E.

    1976-10-01

    The reaction of Zircaloy in steam at elevated temperature involves the growth of discrete layers of oxide and oxygen-rich alpha Zircaloy from the parent beta phase. The multiphase, moving boundary diffusion problem involved is encountered in a number of important reaction schemes in addition to that of Zircaloy-oxygen and can be completely (albeitly ideally) characterized through an appropriate model in terms of oxygen diffusion coefficients and equilibrium concentrations for the various phases. Conversely, kinetic data for phase growth and total oxygen consumption rates can be used to compute diffusion coefficients. Equations are developed that express the oxygen diffusion coefficients in the oxide and alpha phases in terms of the reaction rate constants and equilibrium solubility values. These equations were applied to recent experimental kinetic data on the steam oxidation of Zircaloy-4 to determine the effective oxygen diffusion coefficients in these phases over the temperature range 1000--1500 0 C

  5. Investigation of kinetics and absorption isotherm models for hydroponic phytoremediation of waters contaminated with sulfate.

    Science.gov (United States)

    Saber, Ali; Tafazzoli, Milad; Mortazavian, Soroosh; James, David E

    2018-02-01

    Two common wetland plants, Pampas Grass (Cortaderia selloana) and Lucky Bamboo (Dracaena sanderiana), were used in hydroponic cultivation systems for the treatment of simulated high-sulfate wastewaters. Plants in initial experiments at pH 7.0 removed sulfate more efficiently compared to the same experimental conditions at pH 6.0. Results at sulfate concentrations of 50, 200, 300, 600, 900, 1200, 1500 and 3000 mg/L during three consecutive 7-day treatment periods with 1-day rest intervals, showed decreasing trends of both removal efficiencies and uptake rates with increasing sulfate concentrations from the first to the second to the third 7-day treatment periods. Removed sulfate masses per unit dry plant mass, calculated after 23 days, showed highest removal capacity at 600 mg/L sulfate for both plants. A Langmuir-type isotherm best described sulfate uptake capacity of both plants. Kinetic studies showed that compared to pseudo first-order kinetics, pseudo-second order kinetic models slightly better described sulfate uptake rates by both plants. The Elovich kinetic model showed faster rates of attaining equilibrium at low sulfate concentrations for both plants. The dimensionless Elovich model showed that about 80% of sulfate uptake occurred during the first four days' contact time. Application of three 4-day contact times with 2-day rest intervals at high sulfate concentrations resulted in slightly higher uptakes compared to three 7-day contact times with 1-day rest intervals, indicating that pilot-plant scale treatment systems could be sized with shorter contact times and longer rest-intervals. Copyright © 2017 Elsevier Ltd. All rights reserved.

  6. UTMTOX, Toxic Chemical Transport in Atmosphere, Ground Water, Sediments

    International Nuclear Information System (INIS)

    1988-01-01

    A - Description of program or function: UTMTOX is a unified transport model for toxic materials. It combines hydrologic, atmospheric, and sediment transport in one computer code and extends the scope to predict the transport of not only trace metals but also many chemical compounds, including organics. UTMTOX is capable of calculating 1) the atmospheric dispersion of up to 20 chemicals from a maximum of 10 point, 10 line, and 10 area sources; 2) deposition of one chemical at a time in both wet and dry form on foliage or the surface of the earth; 3) surface flow and erosion; 4) percolation through the soil to a stream channel; and 5) flow in the stream channel to the outfall of a watershed. B - Method of solution: UTMTOX calculates rates of flux of chemicals from release to the atmosphere, through deposition on a watershed, infiltration, and runoff from the soil to flow in the stream channel and the associated sediment transport. From these values, mass balances can be established, budgets for the chemical can be made, and concentrations in many environmental compartments can be estimated. Since the coupling is established among three major submodels, they can share data

  7. Transition state kinetics of Hg(II) adsorption at gibbsite-water interface

    International Nuclear Information System (INIS)

    Weerasooriya, Rohan; Tobschall, Heinz J.; Seneviratne, Wasana; Bandara, Atula

    2007-01-01

    Kinetics of adsorption plays a pivotal factor in determining the bio-availability and mobility of Hg(II) in the environment. The kinetics of Hg(II) adsorption on gibbsite was examined as a function of pH, temperature and electrolyte type. Adsorption of Hg(II) was highly non-linear where the rate of Hg(II) retention was rapid initially and was followed by gradual or somewhat slow retention behavior with increasing contact time. The respective rate constants designated as k 1 (S-1: fast step) and k 2 (S-2: slow step). Always k 1 follows the order: k 1 ClO 4 >=k 1 (NO 3 ) 4 >>k 1 Cl . Such a relationship was not observed for the S-2 route. A two-step reaction model with pseudo-first order kinetics successfully described the adsorption rates of Hg(II) on gibbsite. Arrhenius and Erying models determined the thermodynamic parameters at activation states, which correspond to S-1 and S-2 routes. In a given system, always the activation energies showed a decrease with the pH. Gibbs free energy (ΔG numbersign ), enthalpy (ΔH numbersign ), and entropy (ΔS numbersign ) values of activation states were almost similar both in NaClO 4 and NaNO 3 which signal a similar Hg(II) adsorptive mechanism on gibbsite. The configurations of different Hg(II)-surface complexes were elucidated by transmission vibration spectroscopy

  8. Electrochemical degradation of PAH compounds in process water: A kinetic study on model solutions and a proof of concept study on runoff water from harbour sediment purification

    DEFF Research Database (Denmark)

    Muff, Jens; Søgaard, Erik Gydesen

    2010-01-01

    The present study has investigated the possibility to apply electrochemical oxidation in the treatment of polycyclic aromatic hydrocarbon (PAHs) pollutants in water. The reaction kinetics of naphthalene, fluoranthene, and pyrene oxidation have been studied in a batch recirculation experimental...... oxidation side reaction at lower applied voltages. A proof of concept study in real polluted water demonstrated the applicability of the electrochemical oxidation technique for larger scale use, where especially the indirect chloride mediated oxidation approach was a promising technique. However, the risk....... Decreased current densities from 200 to 15 mA cm-2 in the NaCl electrolyte also decreased the removal rates, but significantly enhanced the current efficiencies of the PAH oxidation, based on a defined current efficiency constant, kq. This observation is believed to be due to the suppression of the water...

  9. Summary of photochemical and radiative data used in the LLNL one-dimensional transport-kinetics model of the troposphere and stratosphere: 1982

    International Nuclear Information System (INIS)

    Connell, P.S.; Wuebbles, D.J.

    1983-01-01

    This report summarizes the contents and sources of the photochemical and radiative segment of the LLNL one-dimensional transport-kinetics model of the troposphere and stratosphere. Data include the solar flux incident at the top of the atmosphere, absorption spectra for O 2 , O 3 and NO 2 , and effective absorption coefficients for about 40 photolytic processes as functions of wavelength and, in a few cases, temperature and pressure. The current data set represents understanding of atmospheric photochemical processes as of late 1982 and relies largely on NASA Evaluation Number 5 of Chemical Kinetics and Photochemical Data for Use in Stratospheric Modeling, JPL Publication 82-57 (DeMore et al., 1982). Implementation in the model, including the treatment of multiple scattering and cloud cover, is discussed in Wuebbles (1981)

  10. 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.

  11. Adsorption Equilibrium and Kinetics at Goethite-Water and Related Interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Katz, Lynn Ellen [Univ. of Texas, Austin, TX (United States)

    2017-04-15

    complexes was required for modeling Pb(II)-Se(IV) and Cd(II)-Se(IV) systems. -Both crystal face contributions and capacitance values were shown to be sensitive to varying specific surface area but were successfully accounted for in the modeling strategy. The insights gained from the macroscopic, spectroscopic and CD-MUSIC modeling developed in this study can be used to guide the implementation of less complex models which may be more applicable to field conditions. The findings of this research suggest that surface complexation models can be used as a predictive tool for fate and transport modeling of metal ions and oxyanions in fresh and saline systems typical of energy production waters and wastewaters.

  12. New kinetic-spectrophotometric method for monitoring the concentration of iodine in river and city water samples.

    Science.gov (United States)

    Farmany, A; Khosravi, A; Abbasi, S; Cheraghi, J; Hushmandfar, R; Sobhanardakani, S; Noorizadeh, H; Mortazavi, S S

    2013-01-01

    A new kinetic method has been developed for the determination of iodine in water samples. The method is based on the catalytic effect of I(-) with the oxidation of Indigo Carmine (IC) by KBrO(3) in the sulfuric acid medium. The optimum conditions obtained are 0.16 M sulfuric acid, 1 × 10(-3) M of IC, 1 × 10(-2) M KBrO(3), reaction temperature of 35°C, and reaction time of 80 s at 612 nm. Under the optimized conditions, the method allowed the quantification of I(-) in a range of 12-375 ng/mL with a detection limit of 0.46 ng/mL. The method was applied to the determination of iodine in river and city water samples with the satisfactorily results.

  13. 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)

  14. Speciative determination of total V and dissolved inorganic vanadium species in environmental waters by catalytic–kinetic spectrophotometric method

    Directory of Open Access Journals (Sweden)

    Ramazan Gürkan

    2017-02-01

    Full Text Available A kinetic determination of V(V as a catalyst was spectrophotometrically performed by using the indicator reaction of Gallamine blue (GB+ and bromate at pH 2.0. The reaction was followed by measuring absorbance change for a fixed-time of 3 min at 537 nm. The variables such as reagent concentration, pH, buffer concentration, ionic strength and temperature were optimized to improve the selectivity and sensitivity. Under the optimized conditions, the determination of V(V was performed in the range 1–100 μg L−1 with limits of detection and quantification of 0.31 and 0.94 μg L−1. The developed kinetic method is sufficiently sensitive, selective and simple. It was successfully applied to the speciative determination of total V and inorganic dissolved vanadium species, V(V and V(IV in environmental water samples. The oxidizing property of permanganate is used to differentiate between V(IV and V(V species. The V(IV content was found by subtracting the V(V content from those of total V. The recovery is above 95% for V(V spiked samples. Additionally, the accuracy was validated by analysis of a certified water sample, CRM TMDA-53.3, and the results were in good agreement with the certified value.

  15. Radiotracer methods for effluent transport studies. A possibility of application for coastal sea waters and underground waters in near-sea region; Metody znacznikowe w badaniach transportu zanieczyszczen

    Energy Technology Data Exchange (ETDEWEB)

    Strzelecki, M.; Owczarczyk, A. [Institute of Nuclear Chemistry and Technology, Warsaw (Poland)

    1994-12-31

    The surface and ground waters are a final receivers of industrial, agriculture and municipal effluents. The observation of their transport and deposition in environmental waters can be the expansion measure for ecological hazard estimation. The tracer methods are one of more convenient tools for studying the number of problems connecting with environmental waters protection. Among them the topics are described in the paper: transport of effluents in big water reservoirs and rivers as well as the effluent transport in aquifers. 9 refs.

  16. Water transport and desalination through double-layer graphyne membranes.

    Science.gov (United States)

    Akhavan, Mojdeh; Schofield, Jeremy; Jalili, Seifollah

    2018-05-16

    Non-equilibrium molecular dynamics simulations of water-salt solutions driven through single and double-layer graphyne membranes by a pressure difference created by rigid pistons are carried out to determine the relative performance of the membranes as filters in a reverse osmosis desalination process. It is found that the flow rate of water through a graphyne-4 membrane is twice that of a graphyne-3 membrane for both single and double-layer membranes. Although the addition of a second layer to a single-layer membrane reduces the membrane permeability, the double-layer graphyne membranes are still two or three orders of magnitude more permeable than commercial reverse osmosis membranes. The minimum reduction in flow rate for double-layer membranes occurs at a layer spacing of 0.35 nm with an AA stacking configuration, while at a spacing of 0.6 nm the flow rate is close to zero due to a high free energy barrier for permeation. This is caused by the difference in the environments on either side of the membrane sheets and the formation of a compact two-dimensional layer of water molecules in the interlayer space which slows down water permeation. The distribution of residence times of water molecules in the interlayer region suggests that at the critical layer spacing of 0.6 nm, a cross-over occurs in the mechanism of water flow from the collective movement of hydrogen-bonded water sheets to the permeation of individual water molecules. All membranes are demonstrated to have a high salt rejection fraction and the double-layered graphyne-4 membranes can further increase the salt rejection by trapping ions that have passed through the first membrane from the feed solution in the interlayer space.

  17. The water needs for LDV transportation in the United States

    International Nuclear Information System (INIS)

    King, Carey W.; Webber, Michael E.; Duncan, Ian J.

    2010-01-01

    Concern over increased demand for petroleum, reliable fuel supply, and global climate change has resulted in the US government passing new Corporate Average Fuel Economy standards and a Renewable Fuels Standard. Consequently, the fuel mix for light duty vehicle (LDV) travel in the United States will change over the coming years. This paper explores the embodied water consumption and withdrawal associated with two projections for future fuel use in the US LDV sector. This analysis encompasses conventional and unconventional fossil fuels, corn ethanol, cellulosic ethanol, soy biodiesel, electricity, and hydrogen. The existing mandate in the US to blend ethanol into gasoline had effectively committed 3300 billion liters of irrigation water in 2005 (approximately 2.4% of US 2005 fresh water consumption) for producing fuel for LDVs. With current irrigation practices, fuel processing, and electricity generation, it is estimated that by 2030, approximately 14,000 billion liters of water per year will be consumed and 23,000-27,000 billion liters withdrawn to produce fuels used in LDVs. Irrigation for biofuels dominates projected water usage for LDV travel, but other fuels (coal to liquids, oil shale, and electricity via plug-in hybrid vehicles) will also contribute appreciably to future water consumption and withdrawal, especially on a regional basis. (author)

  18. Water flow and solute transport through fractured rock

    International Nuclear Information System (INIS)

    Bolt, J.E.; Bourke, P.J.; Pascoe, D.M.; Watkins, V.M.B.; Kingdon, R.D.

    1990-09-01

    In densely fractured slate at the Nirex research site in Cornwall, the positions, orientations and hydraulic conductivities of the 380 fractures intersecting a drill hole between 9 and 50 m depth have been individually measured. These data have been used: to determine the dimensions of statistically representative volumes of the network of fractures and to predict, using discrete flow path modelling and the NAPSAC code, the total flows into the fractures when large numbers are simultaneously pressurised along various lengths of the hole. Corresponding measurements, which validated the NAPSAC code to factor of two accuracy for the Cornish site, are reported. Possibilities accounting for this factor are noted for experimental investigation, and continuing, more extensive, inter hole flow and transport measurements are outlined. The application of this experimental and theoretical approach for calculating radionuclide transport in less densely fractured rock suitable for waste disposal is discussed. (Author)

  19. Water flow and solute transport through fractured rock

    International Nuclear Information System (INIS)

    Bourke, P.J.; Kingdon, R.D.; Bolt, J.E.; Pascoe, D.M.; Watkins, V.M.B.

    1991-01-01

    In densely fractured slate at the Nirex research site in Cornwall, the positions, orientations and hydraulic conductivities of the 380 fractures intersecting a drill hole between 9 and 50 m depths have been individually measured. These data have been used: - to determine the dimensions of statistically representative volumes of the sheetwork of fractures; - to predict; using discrete flowpath modelling and the NAPSAC code; the total flows into the fractures when large numbers are simultaneously pressurised along various lengths of the hole; Corresponding measurements, which proved the modelling and validated the code to factor of two accuracy, are reported. Possibilities accounting for this factor are noted for experimental investigation, and continuing, more extensive inter-hole flow and transport measurements are outlined. The application of this experimental and theoretical approach for calculating radionuclide transport in less densely fractured rock suitable for waste disposal is discussed. 7 figs., 9 refs

  20. Cs-134 transfer from water or food to the Ciprinid Tinca tinca Linnaeus: uptake and loss kinetics

    International Nuclear Information System (INIS)

    Corisco, J.A.G.; Carreiro, M.C.V.

    1991-01-01

    Experiments with 134 Cs and the fish Tinca tinca Linnaeus (fam. Cyprinidae), as a part of a more extensive work, concerning a simplified freshwater trophic chain using water from Fratel dam, (at Tejo River), were undertaken. Direct uptake from water, during a period of about 30 days, leads to a kinetics expressed by the power function: CF (t) = 0.58 t 0.781 (t in days), the concentration factor (CF) referred to wet weight. Retention study, showed the existence of two biological half-lives, Tb 1 = 7 days and Tb 2 = 87 days, which might concern respectively, the 134 Cs desorption from the transit organs and the loss of the assimilated isotope from the storage organs. In the accumulation through the food chain, using planktonic crustacean Daphnia magna Straus (Cladocera) as prey, a transfer factor (TF) related to wet weight of both fish and prey, is estimated through the power function: TF (t) = 0.022 t 0.578 (t in days). Finally, the retention study following the food pathway contamination, stresses the existence of one long term component, with half-life Tb = 61 days. The transfer factor kinetics seems to point out to a rather slow process, leading to lower 134 Cs concentration values, than the contamination through the water. The loss of the assimilated 134 Cs, uptaken through both pathways, water or food, is a slow process. The longer biological half-life is very important in Radiological Protection, once it may be attributed to the radionuclide loss from the muscular mass. (author)