Estimation of tracer diffusion coefficients of ions in aqueous solution
Miller, D.G.
1982-09-07
Equations are given for estimating tracer diffusion coefficients D/sub i//sup 0/ of ions at infinite dilution in terms of limiting ionic conductances ..lambda../sub i//sup 0/. Also given are generalized Nernst-Hartley equations for binary and multicomponent diffusion coefficients D/sup 0/ and D/sub ij//sup 0/, respectively, at infinite dilution. Data, estimates, and correlations for ..lambda../sub i//sup 0/ at 25/sup 0/C and other temperatures are discussed. Estimated values of ..lambda../sub i//sup 0/ are tabulated from 0-300/sup 0/C for ions of waste isolation interest and for ions of economic interest in geothermal brines. Estimates of their tracer diffusion coefficients at infinite dilution are tabulated. A rule of thumb, good to a factor of 2, is presented. Very limited data (available only at 25/sup 0/C) indicate that D/sub i//D/sub i//sup 0/ generally declines as the concentration of salt or supporting electrolyte increases. 6 figures, 2 tables.
Comparison of ICRF-Induced Ion Diffusion Coefficients Calculated with the DC and AORSA Codes
Harvey, R. W.; Petrov, Yu.; Jaeger, E. F.; Berry, L. A.; Batchelor, D. B.; Bonoli, P. T.; Wright, J. C.
2009-11-26
The DC (Diffusion Coefficient) code obtains RF diffusion coefficients by direct numerical integration of the Lorentz force equation for ion motion in the combined equilibrium fields and the RF full wave EM fields from the AORSA full-wave code. Suitable averaging over initial gyro- and toroidal-angle of coordinate 'kicks' after a bounce-period, gives noise-free bounce-averaged diffusion coefficients. For direct comparison with zero-banana-width coefficients from AORSA, perpendicular-drift terms in the Lorentz equation are subtracted off the integration. The DC code has been coupled to the CQL3D Fokker-Planck code. For a C-Mod minority ion ICRF heating test case, the total power absorption using the diffusion coefficients agree well, and the profiles are similarly close. This supports the DC calculation and the Kennel-Engelmann-based, no-correlations, coefficient calculation in AORSA. However, resonance correlations cause large differences in the pitch angle variations of the diffusion coefficients, and in the resulting evolution of the ion distribution functions.
Comparison of ICRF-Induced Ion Diffusion Coefficients Calculated with the DC and AORSA Codes
NASA Astrophysics Data System (ADS)
Harvey, R. W.; Petrov, Yu.; Jaeger, E. F.; Berry, L. A.; Batchelor, D. B.; Bonoli, P. T.; Wright, J. C.
2009-11-01
The DC (Diffusion Coefficient) code obtains RF diffusion coefficients by direct numerical integration of the Lorentz force equation for ion motion in the combined equilibrium fields and the RF full wave EM fields from the AORSA full-wave code. Suitable averaging over initial gyro- and toroidal-angle of coordinate "kicks" after a bounce-period, gives noise-free bounce-averaged diffusion coefficients. For direct comparison with zero-banana-width coefficients from AORSA, perpendicular-drift terms in the Lorentz equation are subtracted off the integration. The DC code has been coupled to the CQL3D Fokker-Planck code. For a C-Mod minority ion ICRF heating test case, the total power absorption using the diffusion coefficients agree well, and the profiles are similarly close. This supports the DC calculation and the Kennel-Engelmann-based, no-correlations, coefficient calculation in AORSA. However, resonance correlations cause large differences in the pitch angle variations of the diffusion coefficients, and in the resulting evolution of the ion distribution functions.
Self-diffusion and activity coefficients of ions in charged disordered media
NASA Astrophysics Data System (ADS)
Jardat, Marie; Hribar-Lee, Barbara; Dahirel, Vincent; Vlachy, Vojko
2012-09-01
Self-diffusion and single ion activity coefficients of ions of size symmetric electrolytes were studied in the presence of a collection of charged obstacles (called matrix) within a "soft" version of the primitive model of electrolyte solutions. The matrix subsystem possesses a net charge, depending on the concentration and charge of obstacles. The Brownian dynamics method was used to calculate the self-diffusion coefficients of mobile species. The replica Ornstein-Zernike theory for the partly quenched systems was used to calculate the individual activity coefficients of mobile ionic species. The results reflect the competition between attractive (obstacle-counterion, co-ion-counterion), and repulsive (obstacle-co-ion) interactions in these model systems. For the simplest possible system of symmetric monovalent ions the latter effect wins: Co-ions are excluded from the area around obstacles, and this slows down their diffusion compared to that of counterions. Introduction of divalent charges into the system changes this result when the concentration of obstacles is low. We compare these results to those obtained for the corresponding fully annealed systems, i.e., where all the species are mobile. In most cases the self-diffusion and activity coefficients of counterions and co-ions in the presence of charged obstacles follow the trends of the fully annealed solution, which are dictated by the composition of the mixture. In few situations, however, the presence of charged obstacles modifies these trends. Our study allows us to clearly identify the effects due to obstacles, and to separate them from those arising from the composition of the solution. In the case of charge and size symmetric systems, the results for the individual activity coefficients fully support the hypothesis of the "electrostatic excluded volume". Thermodynamic and dynamic results are consistent in explaining the behavior of the systems studied.
Self-diffusion and activity coefficients of ions in charged disordered media.
Jardat, Marie; Hribar-Lee, Barbara; Dahirel, Vincent; Vlachy, Vojko
2012-09-21
Self-diffusion and single ion activity coefficients of ions of size symmetric electrolytes were studied in the presence of a collection of charged obstacles (called matrix) within a "soft" version of the primitive model of electrolyte solutions. The matrix subsystem possesses a net charge, depending on the concentration and charge of obstacles. The brownian dynamics method was used to calculate the self-diffusion coefficients of mobile species. The replica Ornstein-Zernike theory for the partly quenched systems was used to calculate the individual activity coefficients of mobile ionic species. The results reflect the competition between attractive (obstacle-counterion, co-ion-counterion), and repulsive (obstacle-co-ion) interactions in these model systems. For the simplest possible system of symmetric monovalent ions the latter effect wins: Co-ions are excluded from the area around obstacles, and this slows down their diffusion compared to that of counterions. Introduction of divalent charges into the system changes this result when the concentration of obstacles is low. We compare these results to those obtained for the corresponding fully annealed systems, i.e., where all the species are mobile. In most cases the self-diffusion and activity coefficients of counterions and co-ions in the presence of charged obstacles follow the trends of the fully annealed solution, which are dictated by the composition of the mixture. In few situations, however, the presence of charged obstacles modifies these trends. Our study allows us to clearly identify the effects due to obstacles, and to separate them from those arising from the composition of the solution. In the case of charge and size symmetric systems, the results for the individual activity coefficients fully support the hypothesis of the "electrostatic excluded volume". Thermodynamic and dynamic results are consistent in explaining the behavior of the systems studied. PMID:22998271
Infinite-dilution diffusion coefficients of complex ions from solution conductivity data.
Dudek, D A; Fedkiw, P S
1999-04-01
A technique is presented for determining infinite-dilution diffusion coefficients of complex ions from solution conductivity data. The method involves measuring the conductivities of dilute solutions in which the distribution of complex ions is systematically varied and statistically regressing the data to an equation that effectively relates individual ion diffusion coefficients to solution conductivity. The procedure is simple and requires no specialized equipment to perform. Unlike methods that require a concentration gradient, the solution composition is homogeneous and at equilibrium during measurements, which is a significant advantage when labile complexes are being studied. In this paper, diffusion coefficients of cuprous cyanide complexes are determined. Statistical analysis yields the infinite-dilution diffusion coefficients of Cu(CN)(2)(-), Cu(CN)(3)(2-), and Cu(CN)(4)(3-) at 25 °C as 1.43 × 10(-5) ± 9%, 1.08 × 10(-5) ± 9%, and 6.21 × 10(-6) ± 22% cm(2)/s, respectively. PMID:21662968
Ion diffusion coefficients model and molar conductivities of ionic salts in aprotic solvents.
Garrido, Leoncio; Mejía, Alberto; García, Nuria; Tiemblo, Pilar; Guzmán, Julio
2015-02-19
In the study of the electric properties of electrolytes, the determination of the diffusion coefficients of the species that intervene in the charge transport process is of great importance, particularly that of the free ions (D(+) and D(-)), the only species that contribute to the conductivity. In this work we propose a model that allows, with reasonable assumptions, determination of D(+) and D(-), and the degree of dissociation of the salt, ?, at different concentrations, using the diffusion coefficients experimentally obtained with NMR. Also, it is shown that the NMR data suffice to estimate the conductivity of the electrolytes. The model was checked by means of experimental results of conductivity and NMR diffusion coefficients obtained with solutions of lithium triflate in ethylene and propylene carbonates, as well as with other results taken from the literature. PMID:25603311
Diffusion coefficients of energetic water group ions near Comet Giacobini-Zinner
NASA Technical Reports Server (NTRS)
Tan, L. C.; Mason, G. M.; Richardson, I. G.; Ipavich, F. M.
1993-01-01
Data from the ultralow-energy charge analyzer and energetic particle anisotropy spectrometer sensors, acquired when the ICE spacecraft flew past Comet Giacobini-Zinner on September 11, 1985, are combined, and a single, self-consistent analysis technique is applied to derive a single-particle spectrum from about 200 to 1600 km/s. This information, together with the deduced bulk flow speed of the ions, is used to calculate a parallel diffusion coefficient in the transition region downstream of the bow wave (2.3 +/- 0.5) x 10 exp 17 sq cm/s; the corresponding scattering mean free path is (6 +/- 1) x 10 exp 4 km. The parallel diffusion coefficient is found to depend on the collision frequency of water group ions with Alfven waves, which are assumed to be propagating parallel (antiparallel) to the magnetic field.
Diffusion coefficients of energetic water group ions near Comet Giacobini-Zinner
NASA Astrophysics Data System (ADS)
Tan, L. C.; Mason, G. M.; Richardson, I. G.; Ipavich, F. M.
1993-03-01
Data from the ultralow-energy charge analyzer and energetic particle anisotropy spectrometer sensors, acquired when the ICE spacecraft flew past Comet Giacobini-Zinner on September 11, 1985, are combined, and a single, self-consistent analysis technique is applied to derive a single-particle spectrum from about 200 to 1600 km/s. This information, together with the deduced bulk flow speed of the ions, is used to calculate a parallel diffusion coefficient in the transition region downstream of the bow wave (2.3 +/- 0.5) x 10 exp 17 sq cm/s; the corresponding scattering mean free path is (6 +/- 1) x 10 exp 4 km. The parallel diffusion coefficient is found to depend on the collision frequency of water group ions with Alfven waves, which are assumed to be propagating parallel (antiparallel) to the magnetic field.
The role of surface energy coefficients and nuclear surface diffuseness in the fusion of heavy-ions
Ishwar Dutt; Rajeev K. Puri
2010-05-06
We discuss the effect of surface energy coefficients as well as nuclear surface diffuseness in the proximity potential and ultimately in the fusion of heavy-ions. Here we employ different versions of surface energy coefficients. Our analysis reveals that these technical parameters can influence the fusion barriers by a significant amount. A best set of these parameters is also given that explains the experimental data nicely.
Lo, Yuan Hung; Peachey, Tom; Abramson, David; McCulloch, Andrew
2013-01-01
Little is known about how small variations in ionic currents and Ca2+ and Na+ diffusion coefficients impact action potential and Ca2+ dynamics in rabbit ventricular myocytes. We applied sensitivity analysis to quantify the sensitivity of Shannon et al. model (Biophys. J., 2004) to 5%–10% changes in currents conductance, channels distribution, and ion diffusion in rabbit ventricular cells. We found that action potential duration and Ca2+ peaks are highly sensitive to 10% increase in L-type Ca2+ current; moderately influenced by 10% increase in Na+-Ca2+ exchanger, Na+-K+ pump, rapid delayed and slow transient outward K+ currents, and Cl? background current; insensitive to 10% increases in all other ionic currents and sarcoplasmic reticulum Ca2+ fluxes. Cell electrical activity is strongly affected by 5% shift of L-type Ca2+ channels and Na+-Ca2+ exchanger in between junctional and submembrane spaces while Ca2+-activated Cl?-channel redistribution has the modest effect. Small changes in submembrane and cytosolic diffusion coefficients for Ca2+, but not in Na+ transfer, may alter notably myocyte contraction. Our studies highlight the need for more precise measurements and further extending and testing of the Shannon et al. model. Our results demonstrate usefulness of sensitivity analysis to identify specific knowledge gaps and controversies related to ventricular cell electrophysiology and Ca2+ signaling. PMID:24222910
Portable vapor diffusion coefficient meter
Ho, Clifford K. (Albuquerque, NM)
2007-06-12
An apparatus for measuring the effective vapor diffusion coefficient of a test vapor diffusing through a sample of porous media contained within a test chamber. A chemical sensor measures the time-varying concentration of vapor that has diffused a known distance through the porous media. A data processor contained within the apparatus compares the measured sensor data with analytical predictions of the response curve based on the transient diffusion equation using Fick's Law, iterating on the choice of an effective vapor diffusion coefficient until the difference between the predicted and measured curves is minimized. Optionally, a purge fluid can forced through the porous media, permitting the apparatus to also measure a gas-phase permeability. The apparatus can be made lightweight, self-powered, and portable for use in the field.
Thermal Expansion and Diffusion Coefficients of Carbon
Wei, Chenyu
Thermal Expansion and Diffusion Coefficients of Carbon Nanotube-Polymer Composites Chenyu Wei* NASA for polymer-nanotube interface are used to investigate the thermal expansion and diffusion characteristics to increase the glass transition temperature Tg, and thermal expansion and diffusion coefficients
Search for selective ion diffusion through membranes
NASA Technical Reports Server (NTRS)
May, C. E.; Philipp, W. H.
1983-01-01
The diffusion rates of several ions through some membranes developed as battery separators were measured. The ions investigated were Li(+), Rb(+), Cl(-), and So4. The members were crosslinked polyvinyl alcohol, crosslinked polyacrylic acid, a copolymer of the two, crosslinked calcium polyacrylate, cellulose, and several microporous polyphenylene oxide based films. No true specificity for diffusion of any of these ions was found for any of the membranes. But the calcium polyacrylate membrane was found to exhibit ion exchange with the diffusing ions giving rise to the leaching of the calcium ion and low reproducibility. These findings contrast earlier work where the calcium polyacrylate membrane did show specificity to the diffusion of the copper ion. In general, Fick's law appeared to be obeyed. Except for the microporous membranes, the coefficients for ion diffusion through the membranes were comparable with their values in water. For the microporous membranes, the values found for the coefficients were much less, due to the tortuosity of the micropores.
Ternary liquid diffusion coefficients near plait points
W. M. Clark; R. L. Rowley
1985-01-01
Mutual diffusion coefficients were measured as a function of temperature above the 30°C plait point of the water + 2-propanol + cyclohexane system using a Gouy interferometer and a new temperature-jump procedure. The four independent diffusion coefficients were found to decrease rapidly along the constant plait-point line as the temperature approached the consolute or plait temperature. Effective critical exponents were
Diffusion coefficients of several aqueous alkanolamine solutions
Erwin D. Snijder; Marcel J. M. te Riele; Geert F. Versteeg; W. P. M. van Swaaij
1993-01-01
In absorption processes of acid gases (H[sub 2]S, CO[sub 2], COS) in alkanolamine solutions, diffusion coefficients are used for the calculation of the mass transfer rate. The Taylor dispersion technique was applied for the determination of diffusion coefficients of various systems. Experiments with the system KCl in water showed that the experimental setup provides accurate data. For the alkanolamines monoethanolamine
Ionic surface diffusion coefficients using an electrostatic patchy charge model
Richmond R. Cohen; Clayton J. Radke
1996-01-01
A three-dimensional electrostatic patchy charge model is developed to compute surface diffusion coefficients as a function of background ionic strength for sodium counter-ions adsorbed at the inner Helmholtz plane (IHP) of a charged montmorillonite | aqueous interface. The model preserves the discrete nature of the montmorillonite lattice charge by arranging discrete patches of different charge densities at the surface. The
Simple Maps with Fractal Diffusion Coefficients
R. Klages; J. R. Dorfman
1994-12-16
We consider chains of one-dimensional, piecewise linear, chaotic maps with uniform slope. We study the diffusive behaviour of an initially nonuniform distribution of points as a function of the slope of the map by solving Frobenius-Perron equation. For Markov partition values of the slope, we relate the diffusion coefficient to eigenvalues of the topological transition matrix. The diffusion coefficient obtained shows a fractal structure as a function of the slope of the map. This result may be typical for a wide class of maps, such as two dimensional sawtooth maps.
Diffusion and transport coefficients in synthetic opals
Sofo, J. O.; Mahan, G. D.; Department of Physics and Astronomy, The University of Tennessee, Knoxville, Tennessee 37996-1200
2000-07-15
Opals are structures composed of close-packed spheres in the size range of nano to micrometers. They are sintered to create small necks at the points of contact. We have solved the diffusion problem in such structures. The relation between the diffusion coefficient and the thermal and electrical conductivity is used to estimate the transport coefficients of opal structures as a function of the neck size and the mean free path of the carriers. The theory presented is also applicable to the diffusion problem in other periodic structures. (c) 2000 The American Physical Society.
Intrinsic Diffusion Coefficient of Interstitial Copper in Silicon
Istratov, A.A.; Flink, C.; Hieslmair, H.; Weber, E.R. [Department of Materials Science and Mineral Engineering, University of California, 577 Evans Hall, Berkeley, California 94720-1760 (United States)] [Department of Materials Science and Mineral Engineering, University of California, 577 Evans Hall, Berkeley, California 94720-1760 (United States); Heiser, T. [Laboratoire de Physique et Applications des Semiconducteurs, CNRS, Universite Louis Pasteur, BP 20, F67037 Strasbourg Cedex 02 (France)] [Laboratoire de Physique et Applications des Semiconducteurs, CNRS, Universite Louis Pasteur, BP 20, F67037 Strasbourg Cedex 02 (France)
1998-08-01
Transient ion drift experiments designed to obtain reliable values for the intrinsic copper diffusivity in silicon are reported. From these measurements, the diffusion barrier of Cu in Si is determined to be 0.18{plus_minus}0.01 eV . It is shown that the commonly used expression of Hall and Racette [J.thinspthinspAppl.thinspthinspPhys.thinspthinsp{bold 35}, 379 (1964)] actually gives an effective diffusion coefficient for heavily boron-doped silicon and can neither be used for other doping levels nor extrapolated to lower temperatures. A model is developed which predicts the effective diffusion coefficient as a function of temperature, doping level, and the type of dopant. {copyright} {ital 1998} {ital The American Physical Society}
Micro-Fluidic Diffusion Coefficient Measurement
Forster, F.K.; Galambos, P.
1998-10-06
A new method for diffusion coefficient measurement applicable to micro-fluidics is pre- sented. The method Iltilizes an analytical model describing laminar dispersion in rect- anglllar ~llicro_channe]s. The Illethod ~vas verified throllgh measllremen~ of fllloresceill diffusivity in water and aqueolls polymer solutions of differing concentration. The diffll- sivity of flllorescein was measlmed as 0.64 x 10-gm2/s in water, 0.49 x 10-gm2/s in the 4 gm/dl dextran solution and 0.38 x 10-9n12/s in the 8 gnl/dl dextran solution.
Trace-Element Diffusion Coefficients in Olivine
NASA Astrophysics Data System (ADS)
Spandler, C.; O'Neill, H. S.
2006-12-01
We have undertaken chemical diffusion experiments at 1300°C to determine both crystal/melt partition coefficients and diffusion coefficients for a wide range of trace elements in forsteritic olivine. Experiments were conducted at 1 atm under controlled fO2 for up to 25 days using synthetic melts made to a composition in equilibrium with olivine for major elements, and doped with selected trace elements. The melt was put into a 5 mm diameter cylindrical hole in gem quality San Carlos olivine crystals drilled paralell to the a axis. Diffusion profiles were obtained both for trace elements that were added to the starting material and diffuse into the olivine, and also for several trace elements present at natural abundances in the olivine that diffuse out. The profiles were measured across sections perpendicular to crystal/melt boundary at a variety of crystallographic orientations (confirmed by EBSD) by laser-ablation ICP-MS. A thin laser slit oriented parallel to the crystal/melt interface was traversed from the melt through the crystal. Element concentrations were fitted to the diffusion equation to obtain both diffusion coefficients and concentrations at the crystal/melt interface, and hence partition coefficients. Calculated diffusivities for many trace elements (Ca, REE, Y, Sc, V, Cr, Ni, Co, Mn, Na, Li, Be, Ti) are relatively fast (D = 10-16 to 10^{-13 m2/s at 1300°C). The diffusion of Li in olivine (approx. D = 10^{-15} m2/s) is only slightly slower than REEs and similar to divalent cations, in good agreement with inferences from zoning profiles in natural olivine [1]. This rate is considerably slower than for plagioclase and clinopyroxene [2], a result which has important implications for interpreting Li isotopic data from mantle-derived rocks. The fastest diffusing trace element we observe is Be. Applying our diffusion and partition coefficients to the model of Qin et al. [3], we calculate that the REEs of olivine-hosted melt inclusions in the mantle will extensively re-equilibrate with external magma in weeks (heavy REEs) to a few years (light REEs). These timescales are significantly shorter than the times estimated for the production and extraction of magma from the mantle or magma residence in the lower crust, implying anomalous melt inclusions are probably not a direct result of melting of heterogeneities in the mantle. Instead, anomalous melt inclusions likely form by assimilation processes shortly before eruption [4] and so may be useful monitors of such processes. Refs: [1] Parkinson et al., Abstract, Goldschmidt Conference 2006; [2] Coogan et al., EPSL 240, 415-424 (2005); [3] Qin et al. Am. Min. 77, 565-576 (1992); [4] Danyushevsky et al., J. Petrol. 45, 2531-2553 (2004).
Ji-Ming Hu; Jin-Tao Zhang; Jian-Qing Zhang; Chu-Nan Cao
2004-01-01
The diffusion coefficients of water and Cl- ion in epoxy coatings on aluminum alloys LY12 were investigated by electrochemical impedance spectroscopy (EIS). The key task in the present work remained in the model fitting of EIS data, from which coating capacitance was derived and was used to calculate water diffusion coefficient by the commonly used “capacitance method”. Moreover, by the
The mobility and diffusion of ions in gases
NASA Technical Reports Server (NTRS)
Mcdaniel, E. W.; Mason, E. A.
1973-01-01
Experimental and theoretical aspects of the mobility and diffusion of ions in gases are studied in detail. Some of the subjects discussed include ion-ion interaction, boundary condition and ion and electron behavior. Also discussed in separate chapters are the problems of the diffusion coefficients and the afterglow techniques. Finally, a special chapter studies the kinetic theory of diffusion and mobility, stressing the low-, medium- and high-field theory.
Determination of Diffusion Coefficients in Sandy Sediments Using Resistivity Techniques
Wang Dongsheng; Gao Zengwen; Du Pengfei
2009-01-01
Diffusion coefficients at the sediment-water interface are essential for prediction of flux rates across the interface. For calculating bulk sediments diffusion coefficients from free solution diffusion coefficients, Formation factor, F, can be estimated from Phi, porosity of sediments. To determine formation factor, resistivity of pore water and sandy sediments with different diameter, originated from Qingdao's seashore, were measured by using
An Ion Diffusion Model in Semi-Permeable Clay Materials
Liu, Chongxuan
2007-08-01
Ion diffusion in semi-impermeable clay materials dynamically interacts with electrostatic fields (or diffuse double layers) associated with clay particles. Current theory of ion transport in porous media containing fixed charges on solid materials, however, cannot explicitly account for the dynamic interactions. Here we proposed a model by coupling electrodynamics and nonequilibrium thermodynamics to describe ion diffusion in the clay materials. The developed model was validated by comparing the calculated and measured apparent ion diffusion coefficients in clay materials as a function of ionic strength, which affects the overlap extent of the electrostatic double layers associated with adjacent clay particles. The model shows that ion diffusion in clay materials is a complex function of factors including surface charge density, tortuosity, porosity, chemico-osmotic coefficient, and ion self-diffusivity. At transitional states, ion diffusive fluxes are dynamically related to the electrostatic fields, which shrink or expand as ion diffusion. At steady states, the electrostatic fields are time-invariant and ion diffusive fluxes conform to flux and concentration gradient relationships; and apparent diffusivity can be expressed by the ion diffusivity in bulk electrolytes corrected by a tortuosity factor and concentration gradient variations at the interfaces between clay materials and bulk solutions.
Continuum estimate of the heavy quark momentum diffusion coefficient $?$
Olaf Kaczmarek
2014-09-12
Among quantities playing a central role in the theoretical interpretation of heavy ion collision experiments at RHIC and LHC are so-called transport coefficients. Out of those heavy quark diffusion coefficients play an important role e.g. for the analysis of the quenching of jets containing c or b quarks (D or B mesons) as observed at RHIC and LHC. We report on a lattice investigation of heavy quark momentum diffusion within pure SU(3) plasma above the deconfinement transition with the quarks treated to leading order in the heavy mass expansion. We measure the relevant colour-electric Euclidean correlator and based on several lattice spacings perform the continuum extrapolation. This extends our previous studies progressing towards a removal of lattice artifacts and a physical interpretation of the results. We find that the correlation function clearly exceeds its perturbative counterpart which suggests that at temperatures just above the critical one, non-perturbative interactions felt by the heavy quarks are stronger than within the weak-coupling expansion. Using an Ansatz for the spectral function which includes NNLO perturbative contributions we were able to determine, for the first time, a continuum estimate for the heavy quark momentum diffusion coefficient.
Calculation and application of combined diffusion coefficients in thermal plasmas
NASA Astrophysics Data System (ADS)
Murphy, Anthony B.
2014-03-01
The combined diffusion coefficient method is widely used to treat the mixing and demixing of different plasma gases and vapours in thermal plasmas, such as welding arcs and plasma jets. It greatly simplifies the treatment of diffusion for many gas mixtures without sacrificing accuracy. Here, three subjects that are important in the implementation of the combined diffusion coefficient method are considered. First, it is shown that different expressions for the combined diffusion coefficients, arising from different definitions for the stoichiometric coefficients that assign the electrons to the two gases, are equivalent. Second, an approach is presented for calculating certain partial differential terms in the combined temperature and pressure diffusion coefficients that can cause difficulties. Finally, a method for applying the combined diffusion coefficients in computational models, which typically require diffusion to be expressed in terms of mass fraction gradients, is given.
Calculation and application of combined diffusion coefficients in thermal plasmas
Murphy, Anthony B.
2014-01-01
The combined diffusion coefficient method is widely used to treat the mixing and demixing of different plasma gases and vapours in thermal plasmas, such as welding arcs and plasma jets. It greatly simplifies the treatment of diffusion for many gas mixtures without sacrificing accuracy. Here, three subjects that are important in the implementation of the combined diffusion coefficient method are considered. First, it is shown that different expressions for the combined diffusion coefficients, arising from different definitions for the stoichiometric coefficients that assign the electrons to the two gases, are equivalent. Second, an approach is presented for calculating certain partial differential terms in the combined temperature and pressure diffusion coefficients that can cause difficulties. Finally, a method for applying the combined diffusion coefficients in computational models, which typically require diffusion to be expressed in terms of mass fraction gradients, is given. PMID:24603457
Measurements of molecular and thermal diffusion coefficients in ternary mixtures
NASA Astrophysics Data System (ADS)
Leahy-Dios, Alana; Bou-Ali, Mounir M.; Platten, Jean K.; Firoozabadi, Abbas
2005-06-01
Thermal diffusion coefficients in three ternary mixtures are measured in a thermogravitational column. One of the mixtures consists of one normal alkane and two aromatics (dodecane-isobutylbenzene-tetrahydronaphthalene), and the other two consist of two normal alkanes and one aromatic (octane-decane-1-methylnaphthalene). This is the first report of measured thermal diffusion coefficients (for all species) of a ternary nonelectrolyte mixture in literature. The results in ternary mixtures of octane-decane-1-methylnaphthalene show a sign change of the thermal diffusion coefficient for decane as the composition changes, despite the fact that the two normal alkanes are similar. In addition to thermal diffusion coefficients, molecular diffusion coefficients are also measured for three binaries and one of the ternary mixtures. The open-end capillary-tube method was used in the measurement of molecular diffusion coefficients. The molecular and thermal diffusion coefficients allow the estimation of thermal diffusion factors in binary and ternary mixtures. However, in the ternaries one also has to calculate phenomenological coefficients from the molecular diffusion coefficients. A comparison of the binary and ternary thermal diffusion factors for the mixtures comprised of octane-decane-1-methylnaphthalene reveals a remarkable difference in the thermal diffusion behavior in binary and ternary mixtures.
Annunziata, Onofrio
Extraction of Thermodynamic Data from Ternary Diffusion Coefficients. Use of Precision Diffusion of the four ternary diffusion coefficients and the Onsager reciprocal relations to extract derivatives chloride as a function of the extent of supersaturation. We also compute the diffusion Onsager coefficients
Hong Chen; Ting Sun; Dianpeng Sui; Jia Dong
2011-01-01
Cellulose acetate dialysis membrane (CDM) has been used in the diffusive gradients in thin films (DGT) technique, where accurate diffusion coefficients are essential for the assessment of the concentrations of labile metal in solution. Effective concentration difference model (ECDM), based on the assumption that the effective diffusion coefficient of metal ion in the dialysis membrane is determined by the effective
Diffusion coefficient of three-dimensional Yukawa liquids
Dzhumagulova, K. N.; Ramazanov, T. S.; Masheeva, R. U. [IETP, Al Farabi Kazakh National University, 71, al Farabi ave., Almaty 050040 (Kazakhstan)] [IETP, Al Farabi Kazakh National University, 71, al Farabi ave., Almaty 050040 (Kazakhstan)
2013-11-15
The purpose of this work is an investigation of the diffusion coefficient of the dust component in complex plasma. The computer simulation of the Yukawa liquids was made on the basis of the Langevin equation, which takes into account the influence of buffer plasma on the dust particles dynamics. The Green–Kubo relation was used to calculate the diffusion coefficient. Calculations of the diffusion coefficient for a wide range of the system parameters were performed. Using obtained numerical data, we constructed the interpolation formula for the diffusion coefficient. We also show that the interpolation formula correctly describes experimental data obtained under microgravity conditions.
Velocity-Space Diffusion Coefficients Due to Full-Wave ICRF Fields in Toroidal Geometry
Harvey, R.W.; Jaeger, F.; Berry, L.A.; Batchelor, D.B.; D'Azevedo, E.; Carter, M.D.; Ershov, N.M.; Smirnov, A.P.; Bonoli, P.; Wright, J.C.; Smithe, D.N.
2005-09-26
Jaeger et al. have calculated bounce-averaged QL diffusion coefficients from AORSA full-wave fields, based on non-Maxwellian distributions from CQL3D Fokker-Planck code. A zero banana-width approximation is employed. Complementing this calculation, a fully numerical calculation of ion velocity diffusion coefficients using the full-wave fields in numerical tokamak equilibria has been implemented to determine the finite orbit width effects. The un-approximated Lorentz equation of motion is integrated to obtain the change in velocity after one complete poloidal transit of the tokamak. Averaging velocity changes over initial starting gyro-phase and toroidal angle gives bounce-averaged diffusion coefficients. The coefficients from the full-wave and Lorentz orbit methods are compared for an ITER DT second harmonic tritium ICRF heating case: the diffusion coefficients are similar in magnitude but reveal substantial finite orbit effects.
Notes on Updated Diffusion Coefficients* University of Delaware
Wang, Hai
by the Sandia Transport subroutine library [2]. Recent studies [3,4] showed that even the exponential function for diffusion coefficients is provided for selected pairs. Within the framework of Sandia PREMIX [5] and similar for the high-temperature diffusion coefficients of small pairs: the H-Ar case." Combustion Theory and Modeling
Water diffusion coefficient in clay material from drying data
Saber Chemkhi; Féthi Zagrouba
2005-01-01
In this paper we present an experimental investigation in the drying of clay material. Three type of purified clay are used in this study. We work under different experimental conditions changing the temperature or the relative humidity of the drying air. Drying kinetics and diffusion coefficient are presented and commented on. Generally the experimental determination of the diffusion coefficient as
Yingqi Zhang; Hui-hai Liu; Quanlin Zhou; Stefan Finsterle
2006-01-01
Heterogeneities of diffusion properties are likely to influence the effective matrix diffusion coefficient determined from tracer breakthrough curves. The objectives of this study are (1) to examine if it is appropriate to use a single, effective matrix diffusion coefficient to predict breakthrough curves in a fractured formation, (2) to examine if a postulated scale dependence of the effective matrix diffusion
Flux-limited diffusion coefficient applied to reactor analysis
NASA Astrophysics Data System (ADS)
Keller, Steven Ede
2007-12-01
A new definition of the diffusion coefficient for use in reactor physics calculations is evaluated in this thesis. It is based on naturally flux-limited diffusion theory (FDT), sometimes referred to as Levermore-Pomraning diffusion theory. Another diffusion coefficient more loosely based on FDT is also evaluated in this thesis. Flux-limited diffusion theory adheres to the physical principle of flux-limiting, which is that the magnitude of neutron current is not allowed to exceed the scalar flux. Because the diffusion coefficients currently used in the nuclear industry are not flux-limited they may violate this principle in regions of large spatial gradients, and because they encompass other assumptions, they are only accurate when used in the types of calculations for which they were intended. The evaluations were performed using fine-mesh diffusion theory. They are in one spatial dimension and in 47, 4, and 2 energy groups, and were compared against a transport theory benchmark using equivalent energy structures and spatial discretizations. The results show that the flux-limited diffusion coefficient (FD) outperforms the standard diffusion coefficient in calculations of single assemblies with vacuum boundaries, according to flux- and eigenvalue-errors. In single assemblies with reflective boundary calculations, the FD yielded smaller improvements, and tended to improve only the fast-group results. The results also computationally confirm that the FD adheres to flux-limiting, while the standard diffusion coefficient does not.
Measurement of the diffusion coefficient for chrysotile and crocidolite fibers
NASA Astrophysics Data System (ADS)
Gentry, J. W.; Spurny, K. R.; Schormann, J.; Opiela, H.; Weiss, G.
Diffusion coefficients for chrysolite and crocidolite fibers were measured with a Sinclair collimated hole diffusion battery and a condensation nuclei counter. The diffusion coefficient for the chrysotile fibers was found to be ~ 4-5 × 10 -7cm 2s -1 and was independent of the frequency of the generator. The crocidolite fibers were 6 × 10 -7cm 2s -1 and show somewhat more scatter. Comparison of the measured diffusion coefficients with calculated values from scanning electron micrographs indicated good agreement for the crocidolite fibers; but that experimental values were twice that of the calculated values for chrysotile.
A model for determination of multicomponent diffusion coefficients in foods
Patricia E. Gerla; Amelia C. Rubiolo
2003-01-01
The simultaneous diffusion of NaCl, lactic acid and water in cheese during brining, were experimentally and theoretically evaluated using multicomponent and pseudobinary mass transport models. The average concentration data of each solute in the solid at different process times were correlated with theoretical models determining the diffusion coefficients values for each solute. Applying a ternary model, main and cross diffusion
On the anomalous fast ion energy diffusion in toroidal plasmas due to cavity modes
N. N. Gorelenkov; N. J. Fisch; E. Fredrickson
2010-01-01
An enormous wave-particle diffusion coefficient along paths suitable for alpha channeling had been deduced in mode-converted ion Bernstein wave experiments on the Tokamak Fusion Test Reactor (TFTR). The only plausible explanation advanced for such a large diffusion coefficient was the excitation of internal cavity modes which induce particle diffusion along identical diffusion paths, but at much higher rates. Although such
On The Anomalous Fast Ion Energy Diffusion in Toroidal Plasmas Due to Cavity Modes
N. N. Gorelenkov; N. J. Fisch; E. Fredrickson
2010-01-01
An enormous wave-particle diffusion coefficient along paths suitable for alpha channeling had been deduced in mode converted ion Bernstein wave experiments on Tokamak Fusion Test Reactor (TFTR) the only plausible explanation advanced for such a large diffusion coefficient was the excitation of internal cavity modes which induce particle diffusion along identical diffusion paths, but at much higher rates. Although such
Improved diffusion coefficients generated from Monte Carlo codes
Herman, B. R.; Forget, B.; Smith, K. [Massachusetts Institute of Technology, Department of Nuclear Science and Engineering, 77 Massachusetts Avenue, Cambridge, MA 02139 (United States); Aviles, B. N. [Knolls Atomic Power Laboratory, Bechtel Marine Propulsion Corporation, P.O. Box 1072, Schenectady, NY 12301-1072 (United States)
2013-07-01
Monte Carlo codes are becoming more widely used for reactor analysis. Some of these applications involve the generation of diffusion theory parameters including macroscopic cross sections and diffusion coefficients. Two approximations used to generate diffusion coefficients are assessed using the Monte Carlo code MC21. The first is the method of homogenization; whether to weight either fine-group transport cross sections or fine-group diffusion coefficients when collapsing to few-group diffusion coefficients. The second is a fundamental approximation made to the energy-dependent P1 equations to derive the energy-dependent diffusion equations. Standard Monte Carlo codes usually generate a flux-weighted transport cross section with no correction to the diffusion approximation. Results indicate that this causes noticeable tilting in reconstructed pin powers in simple test lattices with L2 norm error of 3.6%. This error is reduced significantly to 0.27% when weighting fine-group diffusion coefficients by the flux and applying a correction to the diffusion approximation. Noticeable tilting in reconstructed fluxes and pin powers was reduced when applying these corrections. (authors)
Local carbon diffusion coefficient measurement in the S-1 spheromak
Mayo, R.M.; Levinton, F.M.; Meyerhofer, D.D.; Chu, T.K.; Paul, S.F.; Yamada, M.
1988-10-01
The local carbon diffusion coefficient was measured in the S - 1 spheromak by detecting the radial spread of injected carbon impurity. The radial impurity density profile is determined by the balance of ionization and diffusion. Using measured local electron temperature T/sub e/ and density n/sub e/, the ionization rate is determined from which the particle diffusion coefficient is inferred. The results found in this work are consistent with Bohm diffusion. The absolute magnitude of D/sub /perpendicular// was determined to be (4/approximately/6) /times/ D/sub Bohm/. 25 refs., 13 figs., 2 tabs.
Semiclassical model for the ionic self-diffusion coefficient in white dwarfs.
Daligault, Jérôme; Murillo, Michael S
2005-03-01
Under the extreme conditions of massive white dwarfs, which have ionic densities that exceed 10(29) cm(-3) , the ions can be both very strongly coupled and partially degenerate. We present a simple model for self-diffusion in such white dwarfs that utilizes the known one-component plasma diffusion coefficient and scalings derived from the short-time expansions of the velocity autocorrelation function and the memory function. Since the ions are weakly degenerate, we utilize a simple semiclassical correction to the classical dynamics. We find enhanced diffusion, relative to the purely classical calculation, which is more significant at smaller values of the Coulomb coupling parameter. PMID:15903589
Semiclassical model for the ionic self-diffusion coefficient in white dwarfs
Daligault, Jerome; Murillo, Michael S.
2005-03-01
Under the extreme conditions of massive white dwarfs, which have ionic densities that exceed 10{sup 29} cm{sup -3}, the ions can be both very strongly coupled and partially degenerate. We present a simple model for self-diffusion in such white dwarfs that utilizes the known one-component plasma diffusion coefficient and scalings derived from the short-time expansions of the velocity autocorrelation function and the memory function. Since the ions are weakly degenerate, we utilize a simple semiclassical correction to the classical dynamics. We find enhanced diffusion, relative to the purely classical calculation, which is more significant at smaller values of the Coulomb coupling paramete000.
Study of diffusion coefficients of glasses under zero-G
NASA Technical Reports Server (NTRS)
Kinser, D. L.
1975-01-01
Diffusion studies of the glass forming ion are examined in zero-g environments and diffusion data obtained from these experiments are unique because of earth based experimental problems. The choice of system for diffusion studies is discussed along with the lab processing. The space processing is described consisting of a heating cycle designed to maximize time exposed to the diffusion temperature without exposing the low viscosity melt to gravitational forces.
Single-particle tracking: the distribution of diffusion coefficients.
Saxton, M J
1997-01-01
In single-particle tracking experiments, the diffusion coefficient D may be measured from the trajectory of an individual particle in the cell membrane. The statistical distribution of single-trajectory diffusion coefficients is examined by Monte Carlo calculations. The width of this distribution may be useful as a measure of the heterogeneity of the membrane and as a test of models of hindered diffusion in the membrane. For some models, the distribution of the short-range diffusion coefficient is much narrower than the observed distribution for proteins diffusing in cell membranes. To aid in the analysis of single-particle tracking measurements, the distribution of D is examined for various definitions of D and for various trajectory lengths. PMID:9083678
The temperature variation of hydrogen diffusion coefficients in metal alloys
NASA Technical Reports Server (NTRS)
Danford, M. D.
1990-01-01
Hydrogen diffusion coefficients were measured as a function of temperature for a few metal alloys using an electrochemical evolution technique. Results from these measurements are compared to those obtained by the time-lag method. In all cases, diffusion coefficients obtained by the electrochemical method are larger than those by the time-lag method by an order of magnitude or more. These differences are attributed mainly to hydrogen trapping.
NASA Astrophysics Data System (ADS)
Morgan, Benjamin J.; Madden, Paul A.
2014-04-01
Ionic transport in conventional ionic solids is generally considered to proceed via independent diffusion events or "hops." This assumption leads to well-known Arrhenius expressions for transport coefficients, and is equivalent to assuming diffusion is a Poisson process. Using molecular dynamics simulations of the low-temperature B1, B3, and B4 AgI polymorphs, we have compared rates of ion hopping with corresponding Poisson distributions to test the assumption of independent hopping in these common structure types. In all cases diffusion is a non-Poisson process, and hopping is strongly correlated in time. In B1 the diffusion coefficient can be approximated by an Arrhenius expression, though the physical significance of the parameters differs from that commonly assumed. In low temperature B3 and B4, diffusion is characterized by concerted motion of multiple ions in short closed loops. Diffusion coefficients cannot be expressed in a simple Arrhenius form dependent on single-ion free energies, and intrinsic diffusion must be considered a many-body process.
Y. Zhang; H. Liu; Q. Zhou; S. Finsterle
2005-09-07
Matrix diffusion can significantly retard solute transport in fractured formations. Understanding matrix diffusion is crucial for predicting the arrival time, peak concentration, and tail of a contaminant breakthrough curve. Previous studies show that the effective matrix diffusion coefficient may be scale dependent. This study examines how heterogeneities of diffusion properties affect the effective matrix diffusion coefficient. Two types of heterogeneity in a channelized flow system are considered in the study: (1) interchannel heterogeneity, and (2) intrachannel heterogeneity. The objectives of this study are (1) to examine if it is appropriate to use a single, effective matrix diffusion coefficient in a standard solution model to predict breakthrough curves (BTC) in a fractured formation, (2) if so, how this effective value is related to the degree of the matrix diffusion coefficient variability; and (3) to examine if the observed scale dependence of the effective matrix-diffusion coefficient is caused by heterogeneity in diffusion properties. The results show that the use of a single effective matrix diffusion coefficient is appropriate only if the inter- and intrachannel variability of diffusion properties is small. The scale dependence of the effective matrix diffusion coefficient is not caused by either type of the studied heterogeneity.
L. Dammak; R. Lteif; G. Bulvestre; G. Pourcelly; B. Auclair
2001-01-01
Two ion-exchange membrane characteristics, the quantity of absorbed electrolyte and the electrical membrane conductivity have been measured and correlated for three cation-exchange membranes (CM2, CMx and MK-40), two electrolytes (KCl and LiCl), over a large concentration range of the solution (0.1 M?C0?3.0 M). The membrane conductivity has been measured according to a French standard. However, because of the lack of
Determination of 222Rn Diffusion Coefficient in Japanese Soils
Dadong Iskandar; Takao Iida; Shiro Nakashima
Radon (222Rn) diffusion coefficient as one of some important parameters of 222Rn transport in the soil has been measured using soil radon diffusion monitor (SRDM). The system of SRDM consists of two scintillation detectors, sample container located between these detectors, photomultiplier tubes, amplifiers, single channel analyzers and personal computer. The source of 222Rn is put in the one of the
On 1D diffusion problems with a gradient-dependent diffusion coefficient
Hammett, Greg
with a simple diffusion equation in cylindrical polar coordinates: ( ) 1T T r T S t r r r = + (1a) NowOn 1D diffusion problems with a gradient-dependent diffusion coefficient (submitted to JCP, 2007 conductivity and diffusivity functions, such as GLF23[2], that have a strong and non-analytic dependence
Vybornov, O. Yu.; Snegirev, N.N.; Statsenko, I.V.; Dovbysh, N.G.
1986-10-10
Short-circuiting of the electrodes and failure of the cells may occur during charging of storage batteries. This undesirable effect is caused by growth of filamentary dendrites within the separator channels and not by mechanical puncture. Dendrite growth is proportional to the solubility and rate of ion diffusion within the separators. The purpose of the present work was to study these processes. The diffusion coefficients of potassium hydroxide and zincate in separators made of polyethylene with grafted acrylic acid were measured.
Calculation of self-diffusion coefficients in iron
Zhang, Baohua, E-mail: zhangbh148@qq.com [Laboratory for High Temperature and High Pressure Study of the Earth's Interior, Institute of Geochemistry, Chinese Academy of Sciences, Guiyang, Guizhou 550002, China and Institute for Study of the Earth's Interior, Okayama University, Misasa, Tottori-ken 682-0193 (Japan)] [Laboratory for High Temperature and High Pressure Study of the Earth's Interior, Institute of Geochemistry, Chinese Academy of Sciences, Guiyang, Guizhou 550002, China and Institute for Study of the Earth's Interior, Okayama University, Misasa, Tottori-ken 682-0193 (Japan)
2014-01-15
On the basis of available P-V-T equation of state of iron, the temperature and pressure dependence of self-diffusion coefficients in iron polymorphs (?, ?, ? and ? phases) have been successfully reproduced in terms of the bulk elastic and expansivity data by means of a thermodynamical model that interconnects point defects parameters with bulk properties. The calculated diffusion parameters, such as self-diffusion coefficient, activation energy and activation volume over a broad temperature range (500-2500 K) and pressure range (0-100 GPa), compare favorably well with experimental or theoretical ones when the uncertainties are considered.
Curvature-coupling dependence of membrane protein diffusion coefficients
Stefan M. Leitenberger; Ellen Reister-Gottfried; Udo Seifert
2007-09-20
We consider the lateral diffusion of a protein interacting with the curvature of the membrane. The interaction energy is minimized if the particle is at a membrane position with a certain curvature that agrees with the spontaneous curvature of the particle. We employ stochastic simulations that take into account both the thermal fluctuations of the membrane and the diffusive behavior of the particle. In this study we neglect the influence of the particle on the membrane dynamics, thus the membrane dynamics agrees with that of a freely fluctuating membrane. Overall, we find that this curvature-coupling substantially enhances the diffusion coefficient. We compare the ratio of the projected or measured diffusion coefficient and the free intramembrane diffusion coefficient, which is a parameter of the simulations, with analytical results that rely on several approximations. We find that the simulations always lead to a somewhat smaller diffusion coefficient than our analytical approach. A detailed study of the correlations of the forces acting on the particle indicates that the diffusing inclusion tries to follow favorable positions on the membrane, such that forces along the trajectory are on average smaller than they would be for random particle positions.
Diffusion of ions in sea water and in deep-sea sediments
Yuan-Hui Li; Sandra Gregory
1974-01-01
The tracer-diffusion coefficient of ions in water, D j 0 , and in sea water, D j * , differ by no more than zero to 8 per cent. When sea water diffuses into a dilute solution of water, in order to maintain the electro-neutrality, the average diffusion coefficients of major cations become greater but of major anions smaller than
Study of diffusion coefficients of glasses under Zero-G
NASA Technical Reports Server (NTRS)
Kinser, D. L.
1977-01-01
A diffusion experiment for glasses was formulated, such theoretical and earth bound results as were available were outlined, and the preliminary earth based experimental work in preparation for a weightless experiment was done. The fundamental premise of the work was that diffusion studies of the glass forming ion can be conducted in zero-g environments, and diffusion data obtained from these experiments are unique and valuable because of earth based experimental difficulties.
The diffusion of ions in unconsolidated sediments
Manheim, F. T.
1970-01-01
Diffusion in unconsolidated sediments generally proceeds at rates ranging from half to one twentieth of those applying to diffusion of ions and molecules in free solution. Diffusion rates are predictable with respect to porosity and path tortuosity in host sediments, and can be conveniently measured by determinations of electrical resistivity on bulk sediment samples. Net ion flux is further influenced by reactions of diffusing species with enclosing sediments, but such influences should not be confused with or lumped with diffusion processes. ?? 1970.
Rice, M E; Gerhardt, G A; Hierl, P M; Nagy, G; Adams, R N
1985-07-01
Diffusion coefficients of catecholamine neurotransmitters, their metabolites and related species was measured in brain extracellular fluid using in vivo voltammetric techniques. Nanoliter volumes of the species were pressure-ejected into the rat caudate nucleus and their concentration profiles were determined at nearby voltammetric detector electrodes. Thorough testing was carried out to show that the present methodology gave results which agreed with brain diffusion coefficients measured previously by ion-selective microelectrode techniques. All of the species which are anionic at pH 7.4 have brain diffusion coefficients about one-third of their solution counterparts in accord with earlier studies of diffusion in tortuous media. However, the brain diffusion coefficients of all the cation species are about three-times slower than those of the anions. This phenomenon is believed to be caused by ion binding with the polyanionic glycosaminoglycans and related species in brain tissue. In vitro model experiments lend support to this interpretation. This new information on biogenic amines and their metabolites provides meaningful predictions of the spatio-temporal concentration distribution of these species in the extracellular fluid. PMID:2866468
POTENTIAL SCALE DEPENDENCE OF EFFECTIVE MATRIX DIFFUSION COEFFICIENT
H. Liu; Q. Zhou; Y. Zhang
2006-03-13
It is well known that matrix diffusion (mass transfer between fractures and the rock matrix through molecular diffusion) can significantly retard solute transport processes in fractured rock, and therefore is important for analyzing a variety of problems, including geological disposal of nuclear waste. Matrix-diffusion-coefficient values measured from small rock samples in the laboratory are generally used for modeling field-scale solute transport in fractured rock. However, by compiling results from a number of field tracer tests corresponding to different geological settings, this study demonstrates that the effective matrix diffusion coefficient at field scale is generally larger than that at lab scale and tends to increase with testing scale. Preliminary interpretations of this observation are also investigated. We found that this interesting scale dependence may be related to the complexity of flow-path geometry in fractured rock.
Drag and diffusion co-efficients of heavy quarks in hard thermal loop approximations
Surasree Mazumder; Trambak Bhattacharyya; Jan-e Alam
2013-01-24
The drag and diffusion coefficients of heavy quarks propagating through quark gluon plasma (QGP) have been evaluated using Hard Thermal Loop (HTL) approximations. The HTL corrections to the relevant propagators and vertices have been considered. It is observed that the magnitudes of both the transport coefficients are changed significantly from values obtained by earlier approaches where either (i) the $t$ channel divergence in T=0 pQCD matrix element is shielded simply by Debye mass. or (ii) only HTL resummed propagator is used ignoring the HTL corrections at the interaction vertices. The implications of these changes in the transport coefficients on the heavy ion phenomenology have been discussed.
Transport coefficients of gaseous ions in an electric field
NASA Technical Reports Server (NTRS)
Whealton, J. H.; Mason, E. A.
1974-01-01
A general theory of ion mobility formulated by Kihara (1953) is extended to ion diffusion and to mixtures of neutral gases. The theory assumes that only binary collisions between ions and neutral particles need to be taken into account and that the velocity distribution function of the neutral particles is Maxwellian. These assumptions make it possible to use a linearized Boltzmann equation. Questions of mobility are considered along with aspects of diffusion and deviations from Fick's law of diffusion.
Radial diffusion and ion partitioning in the Io torus
NASA Technical Reports Server (NTRS)
Cheng, A. F.
1986-01-01
A model is presented for radial diffusion and charge state partitioning of sulfur and oxygen ions in the Io torus, including effects of electron impact and charge exchange. When applied to Voyager 1 radial profiles of total ion flux tube content, the model shows that the ion residence time in the torus, tau(D), as defined in spectroscopic studies of ion partitioning, is related to the radial diffusion coefficient, D(LL), at L = 7 by tau(D) approximately 8/D(LL)(7). This result appears to bring spectroscopic estimates of the ion residence time (tau/D/ greater than about 60 to 100 days) into reasonable agreement with estimates of D(LL) from magnetospheric diffusion studies, D(LL) equals approximately 10 to the -6th/s.
Exact curvilinear diffusion coefficients in the repton model
Arnaud Buhot
2005-09-01
The Rubinstein-Duke or repton model is one of the simplest lattice model of reptation for the diffusion of a polymer in a gel or a melt. Recently, a slightly modified model with hardcore interactions between the reptons has been introduced. The curvilinear diffusion coefficients of both models are exactly determined for all chain lengths. The case of periodic boundary conditions is also considered.
Empirical constraints on closure temperatures from a single diffusion coefficient
NASA Astrophysics Data System (ADS)
Lee, J. K. W.
The elucidation of thermal histories by geochronological and isotopic means is based fundamentally on solid-state diffusion and the concept of closure temperatures. Because diffusion is thermally activated, an analytical solution of the closure temperature (Tc*) can only be obtained if the diffusion coefficient D of the diffusion process is measured at two or more different temperatures. If the diffusion coefficient is known at only one temperature, however, the true closure temperature (Tc*) cannot be calculated analytically because there exist an infinite number of possible (apparent) closure temperatures (Tc) which can be generated by this single datum. By introducing further empirical constraints to limit the range of possible closure temperatures, however, mathematical analysis of a modified form of the closure temperature equation shows that it is possible to make both qualitative and quantitative estimates of Tc* given knowledge of only one diffusion coefficient DM measured at one temperature TM. Qualitative constraints of the true closure temperature Tc* are obtained from the shapes of curves on a graph of the apparent Tc (Tc) vs. activation energy E, in which each curve is based on a single diffusion coefficient measurement DM at temperature TM. Using a realistic range of E, the concavity of the curve shows whether TM is less than, approximately equal to, or greater than Tc*. Quantitative estimates are obtained by considering two dimensionless parameters [
The electron diffusion coefficient along the energy in bounded
Kaganovich, Igor
The electron diffusion coefficient along the energy in bounded collisionless and weakly collisional discharge 5. Cathode region of a DC discharge 6. Conclusions #12;Introduction The characteristic electron energies in stationary gas discharges are fixed by the plasma maintenance condition on the level of several
Simple method for determining water diffusion coefficient in conducting polymers
Pentti Passiniemi
1995-01-01
Water increases electrical conductivity of polyaniline. A simple method of the conductivity measurement for determining the diffusion coefficient D of water in conducting polymer matrices is presented in this work. The geometry of the conducting polymer samples can vary in wide range and the initial water content can be totally arbitrary. With the method based on the general theory D(H2O)
Does the photon-diffusion coefficient depend on absorption?
Boas, David
Does the photon-diffusion coefficient depend on absorption? T. Durduran and A. G. Yodh Department independent of absorption, i.e., D0 v/3 s . After presentation of the general theoretical arguments underlying this assertion, Monte Carlo simulations are performed and explicitly reveal that the absorption- independent
Simple deterministic dynamical systems with fractal diffusion coefficients
R. Klages; J. R. Dorfman
1998-07-10
We analyze a simple model of deterministic diffusion. The model consists of a one-dimensional periodic array of scatterers in which point particles move from cell to cell as defined by a piecewise linear map. The microscopic chaotic scattering process of the map can be changed by a control parameter. This induces a parameter dependence for the macroscopic diffusion coefficient. We calculate the diffusion coefficent and the largest eigenmodes of the system by using Markov partitions and by solving the eigenvalue problems of respective topological transition matrices. For different boundary conditions we find that the largest eigenmodes of the map match to the ones of the simple phenomenological diffusion equation. Our main result is that the difffusion coefficient exhibits a fractal structure by varying the system parameter. To understand the origin of this fractal structure, we give qualitative and quantitative arguments. These arguments relate the sequence of oscillations in the strength of the parameter-dependent diffusion coefficient to the microscopic coupling of the single scatterers which changes by varying the control parameter.
Comparison of field-measured radon diffusion coefficients with laboratory-measured coefficients
Lepel, E.A.; Silker, W.B.; Thomas, V.W.; Kalkwarf, D.R.
1983-04-01
Experiments were conducted to compare radon diffusion coefficients determined for 0.1-m depths of soils by a steady-state method in the laboratory and diffusion coefficients evaluated from radon fluxes through several-fold greater depths of the same soils covering uranium-mill tailings. The coefficients referred to diffusion in the total pore volume of the soils and are equivalent to values for the quantity, D/P, in the Generic Environmental Impact Statement on Uranium Milling prepared by the US Nuclear Regulatory Commission. Two soils were tested: a well-graded sand and an inorganic clay of low plasticity. For the flux evaluations, radon was collected by adsorption on charcoal following passive diffusion from the soil surface and also from air recirculating through an aluminum tent over the soil surface. An analysis of variance in the flux evaluations showed no significant difference between these two collection methods. Radon diffusion coefficients evaluated from field data were statistically indistinguishable, at the 95% confidence level, from those measured in the laboratory; however, the low precision of the field data prevented a sensitive validation of the laboratory measurements. From the field data, the coefficients were calculated to be 0.03 +- 0.03 cm/sup 2//s for the sand cover and 0.0036 +- 0.0004 cm/sup 2//s for the clay cover. The low precision in the coefficients evaluated from field data was attributed to high variation in radon flux with time and surface location at the field site.
Variable Eddington factors and flux-limiting diffusion coefficients
Whalen, P.P.
1982-01-01
Variable Eddington factors and flux limiting diffusion coefficients arise in two common techniques of closing the moment equations of transport. The first two moment equations of the full transport equation are still frequently used to solve many problems of radiative or particle transport. An approximate analysis, developed by Levermore, exhibits the relation between the coefficients of the two different techniques. This analysis is described and then used to test the validity of several commonly used flux limiters and Eddington factors. All of the ad-hoc flux limiters have limited validity. All of the variable Eddington factors derived from some underlying description of the angular distribution function are generally valid. The use of coefficients from Minerbo's elegant maximum entropy Eddington factor analysis is suggested for use in either flux limited diffusion or variable Eddington factor equations.
The effects of deionization processes on meteor radar diffusion coefficients below 90 km
NASA Astrophysics Data System (ADS)
Younger, J. P.; Lee, C. S.; Reid, I. M.; Vincent, R. A.; Kim, Y. H.; Murphy, D. J.
2014-08-01
The decay times of VHF radar echoes from underdense meteor trails are reduced in the lower portions of the meteor region. This is a result of plasma neutralization initiated by the attachment of positive trail ions to neutral atmospheric molecules. Decreased echo decay times cause meteor radars to produce erroneously high estimates of the ambipolar diffusion coefficient at heights below 90 km, which affects temperature estimation techniques. Comparisons between colocated radars and satellite observations show that meteor radar estimates of diffusion coefficients are not consistent with estimates from the Aura Microwave Limb Sounder satellite instrument and that colocated radars operating at different frequencies estimate different values of the ambipolar diffusion coefficient for simultaneous detections of the same meteors. Loss of free electrons from meteor trails due to attachment to aerosols and chemical processes were numerically simulated and compared with observations to determine the specific mechanism responsible for low-altitude meteor trail plasma neutralization. It is shown that three-body attachment of positive metal ions significantly reduces meteor radar echo decay times at low altitudes compared to the case of diffusion only that atmospheric ozone plays little part in the evolution of low-altitude underdense meteor trails and that the effect of three-body attachment begins to exceed diffusion in echo decay times at a constant density surface.
Optimal estimation of diffusion coefficients from single-particle trajectories
NASA Astrophysics Data System (ADS)
Vestergaard, Christian L.; Blainey, Paul C.; Flyvbjerg, Henrik
2014-02-01
How does one optimally determine the diffusion coefficient of a diffusing particle from a single-time-lapse recorded trajectory of the particle? We answer this question with an explicit, unbiased, and practically optimal covariance-based estimator (CVE). This estimator is regression-free and is far superior to commonly used methods based on measured mean squared displacements. In experimentally relevant parameter ranges, it also outperforms the analytically intractable and computationally more demanding maximum likelihood estimator (MLE). For the case of diffusion on a flexible and fluctuating substrate, the CVE is biased by substrate motion. However, given some long time series and a substrate under some tension, an extended MLE can separate particle diffusion on the substrate from substrate motion in the laboratory frame. This provides benchmarks that allow removal of bias caused by substrate fluctuations in CVE. The resulting unbiased CVE is optimal also for short time series on a fluctuating substrate. We have applied our estimators to human 8-oxoguanine DNA glycolase proteins diffusing on flow-stretched DNA, a fluctuating substrate, and found that diffusion coefficients are severely overestimated if substrate fluctuations are not accounted for.
Secondary Ion Mass Spectrometry for Mg Tracer Diffusion: Issues and Solutions
Tuggle, Jay [Virginia Polytechnic Institute and State University; Giordani, Andrew [Virginia Polytechnic Institute and State University; Kulkarni, Nagraj S [ORNL; Warmack, Robert J Bruce [ORNL; Coffey, Kevin [University of Central Florida; Sohn, Yong Ho [University of Central Florida; HunterJr., Jerry [Virginia Polytechnic Institute and State University
2014-01-01
A Secondary Ion Mass Spectrometry (SIMS) method has been developed to measure stable Mg isotope tracer diffusion. This SIMS method was then used to calculate Mg self- diffusivities and the data was verified against historical data measured using radio tracers. The SIMS method has been validated as a reliable alternative to the radio-tracer technique for the measurement of Mg self-diffusion coefficients and can be used as a routine method for determining diffusion coefficients.
Goldsmith, M; Hor, D; Damadian, R
1975-01-01
The single ion activity coefficients of K+ and Cl- counter-ions were determined in concentrated polyelectrolyte solutions. The polyelectrolytes investigated included DNA and several proteins. Results indicate that ion gradients of up to 40:1 do not lower the counter-ion activity coefficient below 0.5. Thus, published values of the intracellular activity coefficient of K+ are not incompatible with cellular models utilizing cytoplasmic ion exchange. PMID:1187814
Role of the Molar Volume on Estimated Diffusion Coefficients
NASA Astrophysics Data System (ADS)
Santra, Sangeeta; Paul, Aloke
2015-09-01
The role of the molar volume on the estimated diffusion parameters has been speculated for decades. The Matano-Boltzmann method was the first to be developed for the estimation of the variation of the interdiffusion coefficients with composition. However, this could be used only when the molar volume varies ideally or remains constant. Although there are no such systems, this method is still being used to consider the ideal variation. More efficient methods were developed by Sauer-Freise, Den Broeder, and Wagner to tackle this problem. However, there is a lack of research indicating the most efficient method. We have shown that Wagner's method is the most suitable one when the molar volume deviates from the ideal value. Similarly, there are two methods for the estimation of the ratio of intrinsic diffusion coefficients at the Kirkendall marker plane proposed by Heumann and van Loo. The Heumann method, like the Matano-Boltzmann method, is suitable to use only when the molar volume varies more or less ideally or remains constant. In most of the real systems, where molar volume deviates from the ideality, it is safe to use the van Loo method. We have shown that the Heumann method introduces large errors even for a very small deviation of the molar volume from the ideal value. On the other hand, the van Loo method is relatively less sensitive to it. Overall, the estimation of the intrinsic diffusion coefficient is more sensitive than the interdiffusion coefficient.
The effect of recombination and attachment on meteor radar diffusion coefficient profiles
NASA Astrophysics Data System (ADS)
Lee, C. S.; Younger, J. P.; Reid, I. M.; Kim, Y. H.; Kim, J.-H.
2013-04-01
Estimates of the ambipolar diffusion coefficient producedusing meteor radar echo decay times display an increasing trend below 80-85 km, which is inconsistent with a diffusion-only theory of the evolution of meteor trails. Data from the 33 MHz meteor radar at King Sejong Station, Antarctica, have been compared with observations from the Aura Earth Observing System Microwave Limb Sounder satellite instrument. It has been found that the height at which the diffusion coefficient gradient reverses follows the height of a constant neutral atmospheric density surface. Numerical simulations of meteor trail diffusion including dissociative recombination with atmospheric ions and three-body attachment of free electrons to neutral molecules indicate that three-body attachment is responsible for the distortion of meteor radar diffusion coefficient profiles at heights below 90 km, including the gradient reversal below 80-85 km. Further investigation has revealed that meteor trails with low initial electron line density produce decay times more consistent with a diffusion-only model of meteor trail evolution.
Vertical eddy diffusion coefficient from the LANDSAT imagery
NASA Technical Reports Server (NTRS)
Viswanadham, Y. (principal investigator); Torsani, J. A.
1982-01-01
Analysis of five stable cases of the smoke plumes that originated in eastern Cabo Frio (22 deg 59'S; 42 deg 02'W), Brazil using LANDSAT imagery is presented for different months and years. From these images the lateral standard deviation (sigma sub y) and the lateral eddy diffusion coefficient (K sub y) are obtained from the formula based on Taylor's theory of diffusion by continuous moment. The rate of kinetic energy dissipation (e) is evaluated from the diffusion parameters sigma sub y and K sub y. Then, the vertical diffusion coefficient (K sub z) is estimated using Weinstock's formulation. These results agree well with the previous experimental values obtained over water surfaces by various workers. Values of e and K sub z show the weaker mixing processes in the marine stable boundary layer. The data sample is apparently to small to include representative active turbulent regions because such regions are so intermittent in time and in space. These results form a data base for use in the development and validation of mesoscale atmospheric diffusion models.
Zhou, Quanlin
rock Yingqi Zhang,1 Hui-hai Liu,1 Quanlin Zhou,1 and Stefan Finsterle1 Received 16 August 2005; revised diffusion coefficient for fractured rock, Water Resour. Res., 42, W04405, doi:10.1029/2005WR004513. 1 in fractured rock. Understand- ing the diffusion of contaminants from fractures into the matrix is essential
NASA Astrophysics Data System (ADS)
Kowsari, M. H.; Alavi, Saman; Ashrafizaadeh, Mahmud; Najafi, Bijan
2008-12-01
Molecular dynamics simulations are used to study the dynamics and transport properties of 12 room-temperature ionic liquids of the 1-alkyl-3-methylimidazolium [amim]+ (alkyl=methyl, ethyl, propyl, and butyl) family with PF6-, NO3-, and Cl- counterions. The explicit atom transferable force field of Canongia Lopes et al. [J. Phys. Chem. B 108, 2038 (2004)] is used in the simulations. In this first part, the dynamics of the ionic liquids are characterized by studying the mean-square displacement (MSD) and the velocity autocorrelation function (VACF) for the centers of mass of the ions at 400 K. Trajectory averaging was employed to evaluate the diffusion coefficients at two temperatures from the linear slope of MSD(t) functions in the range of 150-300 ps and from the integration of the VACF(t) functions at 400 K. Detailed comparisons are made between the diffusion results from the MSD and VACF methods. The diffusion coefficients from the integration of the VACFs are closer to experimental values than the diffusion coefficients calculated from the slope of MSDs. Both methods can show good agreement with experiment in predicting relative trends in the diffusion coefficients and determining the role of the cation and anion structures on the dynamical behavior of this family of ionic liquids. The MSD and self-diffusion of relatively heavier imidazolium cations are larger than those of the lighter anions from the Einstein results, except for the case of [bmim][Cl]. The cationic transference number generally decreases with temperature, in good agreement with experiments. For the same anion, the cationic transference numbers decrease with increasing length of the alkyl chain, and for the same cation, the trends in the cationic transference numbers are [NO3]-<[Cl]-<[PF6]-. The trends in the diffusion coefficient in the series of cations with identical anions are [emim]+>[pmim]+>[bmim]+ and those for anions with identical cations are [NO3]->[PF6]->[Cl]-. The [dmim]+ has a relatively low diffusion coefficient due to its symmetric structure and good packing in the liquid phase. The major factor for determining the magnitude of the self-diffusion is the geometric shape of the anion of the ionic liquid. Other important factors are the ion size and the charge delocalization in the anion.
Chowdhury, Mohammed Tareque Takekawa, Reiji; Iwai, Yoshiki; Kuwata, Naoaki; Kawamura, Junichi
2014-03-28
The lithium ion diffusion coefficient of a 93% Li ?-alumina single crystal was measured for the first time using pulsed field gradient (PFG) NMR spectroscopy with two different crystal orientations. The diffusion coefficient was found to be 1.2 × 10{sup ?11} m{sup 2}/s in the direction perpendicular to the c axis at room temperature. The Li ion diffusion coefficient along the c axis direction was found to be very small (6.4 × 10{sup ?13} m{sup 2}/s at 333 K), which suggests that the macroscopic diffusion of the Li ion in the ?-alumina crystal is mainly two-dimensional. The diffusion coefficient for the same sample was also estimated using NMR line narrowing data and impedance measurements. The impedance data show reasonable agreement with PFG-NMR data, while the line narrowing measurements provided a lower value for the diffusion coefficient. Line narrowing measurements also provided a relatively low value for the activation energy and pre-exponential factor. The temperature dependent diffusion coefficient was obtained in the temperature range 297–333 K by PFG-NMR, from which the activation energy for diffusion of the Li ion was estimated. The activation energy obtained by PFG-NMR was smaller than that obtained by impedance measurements, which suggests that thermally activated defect formation energy exists for 93% Li ?-alumina single crystals. The diffusion time dependence of the diffusion coefficient was observed for the Li ion in the 93% Li ?-alumina single crystal by means of PFG-NMR experiments. Motion of Li ion in fractal dimension might be a possible explanation for the observed diffusion time dependence of the diffusion coefficient in the 93% Li ?–alumina system.
Irma M. J. J. van de Ven-Lucassen; Thijs J. H. Vlugt; Antonius J. J. van der Zanden; Piet J. A. M. Kerkhof
1999-01-01
Self-diffusion coefficients and Maxwell-Stefan diffusion coefficients in liquids have been determined by the equilibrium molecular dynamics calculation of the appropriate Green-Kubo equation. Simulations of water, methanol and mixtures of water and methanol have been carried out to calculate the diffusion coefficients at 300 K. In order to study the influence of the force field on the calculated self-diffusion coefficients of
Role of triplet correlations in anomalous self-diffusion coefficient
NASA Astrophysics Data System (ADS)
Gaganpreet; Srivastava, Sunita; Tankeshwar, K.
2012-09-01
Self-diffusion coefficient and velocity auto correlation function of fluid interacting via the Gaussian core potential have been studied using Mori-Zwanzig memory function formalism. Two and three body contributions to second and fourth frequency sum rules of velocity auto correlation function have been calculated. These sum rules and an ansatz for the memory function have been used to study the time evolution of velocity auto correlation function for different densities and temperatures. Results obtained are compared with the available molecular dynamics simulation results and are found to be in good agreement. Contribution due to three body correlations is found to play a significant role in anomalous behaviour of self-diffusion coefficient and velocity auto correlation function.
Rate coefficients of some important interstellar ion-neutral reactions
NASA Astrophysics Data System (ADS)
Ghosh, S. N.; Ghosh, K. K.
1982-02-01
It is pointed out that in contrast to neutral-neutral reactions, which are mainly endothermic, most of the ion-neutral reactions in interstellar space are exothermic. The energy released by a reaction of the latter type is less than the dissociation energy of the molecule. It is thought that reactions of this type may play a dominant role in the interstellar medium. The information on the rate coefficients of polyatomic ion-neutral reactions is meager. A semiclassical approach is adopted here for calculating the rate coefficient and its temperature dependence. The coefficients of certain important ion-neutral reactions in the interstellar medium calculated by this method are given.
Proton transfer and the diffusion of H+ and OH- ions along water wires
NASA Astrophysics Data System (ADS)
Lee, Song Hi; Rasaiah, Jayendran C.
2013-09-01
Hydrogen and hydroxide ion transport in narrow carbon nanotubes (CNTs) of diameter 8.1 Å and lengths up to 582 Å are investigated by molecular dynamics simulations using a dissociating water model. The diffusion coefficients of the free ions in an open chain are significantly larger than in periodically replicated wires that necessarily contain D or L end defects, and both are higher than they are in bulk water. The free hydroxide ion diffuses faster than the free hydronium ion in short CNTs, unlike diffusion in liquid water, and both coefficients increase and converge to nearly the same value with increasing tube length. The diffusion coefficients of the two ions increase further when the tubes are immersed in a water reservoir and they move easily out of the tube, suggesting an additional pathway for proton transport via OH- ions in biological channels.
Nanoscale mapping of ion diffusion in a lithium-ion battery cathode
Balke, N.; Jesse, S.; Morozovska, A.; Eliseev, E.; Chung, D.; Kim, Y.; Adamczyk, L.; Garcia, R.
2010-08-29
The movement of lithium ions into and out of electrodes is central to the operation of lithium-ion batteries. Although this process has been extensively studied at the device level, it remains insufficiently characterized at the nanoscale level of grain clusters, single grains and defects. Here, we probe the spatial variation of lithium-ion diffusion times in the battery-cathode material LiCoO{sub 2} at a resolution of ~100 nm by using an atomic force microscope to both redistribute lithium ions and measure the resulting cathode deformation. The relationship between diffusion and single grains and grain boundaries is observed, revealing that the diffusion coefficient increases for certain grain orientations and single-grain boundaries. This knowledge provides feedback to improve understanding of the nanoscale mechanisms underpinning lithium-ion battery operation.
Hydrodynamic correlations and diffusion coefficient of star polymers in solution.
Singh, Sunil P; Huang, Chien-Cheng; Westphal, Elmar; Gompper, Gerhard; Winkler, Roland G
2014-08-28
The center-of-mass dynamics of star polymers in dilute solution is analyzed by hybrid mesoscale simulations. The fluid is modeled by the multiparticle collision dynamics approach, a particle-based hydrodynamic simulation technique, which is combined with molecular dynamics simulations for the polymers. Star polymers of various functionalities are considered. We determine the center-of-mass velocity correlation functions, the corresponding mean square displacements, and diffusion coefficients. The velocity correlation functions exhibit a functionality-dependent and structure-specific intermediate time regime, with a slow decay. It is followed by the long-time tail t(-3/2), which is solely determined by the fluid. Infinite-system-size diffusion coefficients are determined from the velocity correlation function by a combination of simulation and analytical results, as well as from the center-of-mass mean square displacement for various systems sizes and extrapolation. In terms of the hydrodynamic radius, the star polymer hydrodynamic diffusion coefficient exhibits the same universal system-size dependence as a spherical colloid. The functionality dependence of the ratio of hydrodynamic radii and the radii of gyration agrees well with experimental predictions. PMID:25173039
Takeda, M.; Hiratsuka, T.; Ito, K.; Finsterle, S.
2011-02-01
Diffusion anisotropy is a critical property in predicting migration of substances in sedimentary formations with very low permeability. The diffusion anisotropy of sedimentary rocks has been evaluated mainly from laboratory diffusion experiments, in which the directional diffusivities are separately estimated by through-diffusion experiments using different rock samples, or concurrently by in-diffusion experiments in which only the tracer profile in a rock block is measured. To estimate the diffusion anisotropy from a single rock sample, this study proposes an axisymmetric diffusion test, in which tracer diffuses between a cylindrical rock sample and a surrounding solution reservoir. The tracer diffusion between the sample and reservoir can be monitored from the reservoir tracer concentrations, and the tracer profile could also be obtained after dismantling the sample. Semi-analytical solutions are derived for tracer concentrations in both the reservoir and sample, accounting for an anisotropic diffusion tensor of rank two as well as the dilution effects from sampling and replacement of reservoir solution. The transient and steady-state analyses were examined experimentally and numerically for different experimental configurations, but without the need for tracer profiling. These experimental configurations are tested for in- and out-diffusion experiments using Koetoi and Wakkanai mudstones and Shirahama sandstone, and are scrutinized by a numerical approach to identify favorable conditions for parameter estimation. The analysis reveals the difficulty in estimating diffusion anisotropy; test configurations are proposed for enhanced identifiability of diffusion anisotropy. Moreover, it is demonstrated that the axisymmetric diffusion test is efficient in obtaining the sorption parameter from both steady-state and transient data, and in determining the effective diffusion coefficient if isotropic diffusion is assumed. Moreover, measuring reservoir concentrations in an axisymmetric diffusion experiment coupled with tracer profiling may be a promising approach to estimate of diffusion anisotropy of sedimentary rocks.
Zhu, Qingyu; Moggridge, Geoff D.; D’Agostino, Carmine
2015-04-29
- carbon tetrachloride, acetone-chloroform and diethyl ether-chloroform at 25oC, and water- N-methylpyrrolidone at 20oC. The mutual diffusion and tracer diffusion coefficients and VLE data of the mixtures are from the same sources as those in Moggridge... -chloroform and acetone-diethyl ether where the VLE profile shows a negative boiling pressure azeotrope, there is no way to start the integration from the azeotrope with the same assumptions. In this case, the thermodynamic correction factors are calculated using...
NASA Technical Reports Server (NTRS)
Tenney, D. R.; Unnam, J.
1978-01-01
Diffusion calculations were performed to establish the conditions under which concentration dependence of the diffusion coefficient was important in single, two, and three phase binary alloy systems. Finite-difference solutions were obtained for each type of system using diffusion coefficient variations typical of those observed in real alloy systems. Solutions were also obtained using average diffusion coefficients determined by taking a logarithmic average of each diffusion coefficient variation considered. The constant diffusion coefficient solutions were used as reference in assessing diffusion coefficient variation effects. Calculations were performed for planar, cylindrical, and spherical geometries in order to compare the effect of diffusion coefficient variations with the effect of interface geometries. In most of the cases considered, the diffusion coefficient of the major-alloy phase was the key parameter that controlled the kinetics of interdiffusion.
Response of radiation belt simulations to different radial diffusion coefficients
NASA Astrophysics Data System (ADS)
Drozdov, A.; Shprits, Y.; Subbotin, D.; Kellerman, A. C.
2013-12-01
Resonant interactions between Ultra Low Frequency (ULF) waves and relativistic electrons may violate the third adiabatic invariant of motion, which produces radial diffusion in the electron radiation belts. This process plays an important role in the formation and structure of the outer electron radiation belt and is important for electron acceleration and losses in that region. Two parameterizations of the resonant wave-particle interaction of electrons with ULF waves in the magnetosphere by Brautigam and Albert [2000] and Ozeke et al. [2012] are evaluated using the Versatile Electron Radiation Belt (VERB) diffusion code to estimate their relative effect on the radiation belt simulation. The period of investigation includes quiet time and storm time geomagnetic activity and is compared to data based on satellite observations. Our calculations take into account wave-particle interactions represented by radial diffusion transport, local acceleration, losses due to pitch-angle diffusion, and mixed diffusion. We show that the results of the 3D diffusion simulations depend on the assumed parametrization of waves. The differences between the simulations and potential missing physical mechanisms are discussed. References Brautigam, D. H., and J. M. Albert (2000), Radial diffusion analysis of outer radiation belt electrons during the October 9, 1990, magnetic storm, J. Geophys. Res., 105(A1), 291-309, doi:10.1029/1999JA900344 Ozeke, L. G., I. R. Mann, K. R. Murphy, I. J. Rae, D. K. Milling, S. R. Elkington, A. A. Chan, and H. J. Singer (2012), ULF wave derived radiation belt radial diffusion coefficients, J. Geophys. Res., 117, A04222, doi:10.1029/2011JA017463.
John C. Slattery; R. Byron Bird
1958-01-01
A corresponding-states correlation of low-density binary- and self-diffusion coefficients is presented. The equations are simple to use, are sdciently accurate for most calculations, and correlate those data used in their derivation somewhat better than calculations based on the Lennard-Jones potential if potential parameters have to be estimated from the critical properties. The Enskog kinetic theory of dense gases is used
Assessment of scale effects on effective diffusion coefficients
NASA Astrophysics Data System (ADS)
Ingram, L.; Hendry, J.; Wassenaar, L.; Barbour, L.
2003-04-01
Understanding contaminant movement in diffusion-dominated systems is important for the accurate prediction of long-term solute transport. At present, measurement of the effective diffusion coefficient (De) of clay-rich systems is determined using small-scale laboratory experiments. The application of these measurements to field studies assumes that De is not scale-dependent. Because of the empirical nature of equations describing the diffusion process, as well as the scale-dependent nature of other properties (e.g., hydraulic conductivity) controlling contaminant transport, this assumption warrants investigation. The objective of this study was to assess the scale dependence of De by comparing the De values obtained from three conservative tracers (?D, ?18O and chloride) at two scales of field-testing and laboratory-based double reservoir diffusion testing. Thein situ field-testing system consisted of purpose-built piezometers, pressure transducers, inflatable packers, and a circulation pump. All testing was conducted on an 80 m thick, clay-rich till sequence located in Saskatchewan, Canada. Results indicate the scale effects on conservative transport by diffusion are minimal. Using the same methodology, ongoing studies are being conducted in this system to determine effects of scaling on reactive transport.
T. Sugiyama; T. W. Bremner; Y. Tsuji
1996-01-01
Chloride diffusion coefficient and gas permeability of concrete were experimentally determined. The relationship between them is discussed. Chloride diffusion coefficient was determined using saturated concrete by an accelerated electrical testing method. The chloride diffusion coefficient was found to be controlled by the water-to-cement ratio with about 2.2 times higher chloride diffusion coefficient for concrete with the water-to-cement ratio of 0.6
NASA Astrophysics Data System (ADS)
Ludlow, G. R.
2012-12-01
Resonant quasilinear diffusion time scales are examined for upgoing auroral O+ ions in resonance with ion acoustic waves. The waves are destabilized by simultaneous upgoing H+ and O+ ion beams and propagate in a mode parallel to the ambient magnetic field with phase velocity UO + CO, where UO is the oxygen streaming velocity and CO is the oxygen sound speed. Although the waves resonate with both ion species, the diffusion time scales for H+ are insignificant while those for O+ maximize in a narrow region in parallel velocity within the O+ beam distribution. Diffusion is primarily perpendicular to the background magnetic field, except at the edges of the beam perpendicular velocity distribution where it becomes more parallel. With typical values of the electric field energy density in the diffusion coefficients one sees diffusion time scales in the range 5 to 25 seconds in the narrow parallel velocity region. The narrow parallel velocity region sweeps through the O+ beam as it moves into weaker field regions, corresponding roughly to an altitude range of 5000 - 10000 km. The rate at which the maximum diffusion region sweeps through the beam is slow enough to allow O+ beam ions to significantly diffuse.
M. STOCKDALE
Synopsis Literature reports of rates of trans-epidermal water loss through skin exposed to differing external relative humidities have been used to generate water diffusion coefficients by means of Fick's law. These have been related, within a given series, to the diffusion coefficient at a standard average water activity to give relative water diffusion coefficients. These have been combined, together with
Experimental determination of the diffusion coefficient of water in transformer solid insulation
D. F. García; B. Garcia; J. C. Burgos; N. García Hernando
2012-01-01
This paper presents the methodology used and the results obtained in the determination of diffusion coefficient of moisture into non-impregnated transformer insulating paper. In order to determine the diffusion coefficient, drying curves of paper samples were obtained from thermogravimetric experiments. The parameters of the diffusion coefficient were found by applying an optimization process based on genetic algorithms. The error function
Moisture Diffusion Coefficients for Modeling the First and Second Drying Sections of Green Bricks
Uta Telljohann; Karsten Junge; Eckehard Specht
2008-01-01
A model has been developed that describes the dependence of the moisture diffusion coefficient on the water fraction. Until the end of shrinkage has been achieved, the moisture diffusion coefficient is proportional to the second power of the water fraction. Due to shrinkage, the relevant capillary spaces available for water transport become smaller. Consequently, the moisture diffusion coefficient decreases continually.
Jocelyn Veilleux; Sylvain Coulombe
2010-01-01
This article describes a new method to measure the mass diffusion coefficient of a fluorescent dye in a liquid, inside a millichannel geometry. The proposed method, based on Total Internal Reflection Fluorescence (TIRF) microscopy, enables the measurement of the diffusion coefficient for mass transport parallel to the millichannel wall. It determines the diffusion coefficient that provides the best fit of
Lee, EokKyun
Correlation between the Kolmogorov-Sinai entropy and the self-diffusion coefficient in simple . In an intriguing paper by Dzugutov 7 , the self-diffusion coefficient in simple atomic condensed sys- tems.0, and the Kolmogorov-Sinai entropy KS entropy and self-diffusion coefficients were calculated. It is found that the KS
Calculation of combined diffusion coefficients in SF{sub 6}-Cu mixtures
Zhong, Linlin; Wang, Xiaohua, E-mail: xhw@mail.xjtu.edu.cn; Rong, Mingzhe, E-mail: mzrong@mail.xjtu.edu.cn; Wu, Yi [State Key Laboratory of Electrical Insulation and Power Equipment, School of Electrical Engineering, Xi'an Jiaotong University, Xi'an 710049 (China); Murphy, Anthony B. [CSIRO Manufacturing Flagship, P.O. Box 218, Lindfield, NSW 2070 (Australia)
2014-10-15
Diffusion coefficients play an important role in the description of the transport of metal vapours in gas mixtures. This paper is devoted to the calculation of four combined diffusion coefficients, namely, the combined ordinary diffusion coefficient, combined electric field diffusion coefficient, combined temperature diffusion coefficient, and combined pressure diffusion coefficient in SF{sub 6}-Cu mixtures at temperatures up to 30?000?K. These four coefficients describe diffusion due to composition gradients, applied electric fields, temperature gradients, and pressure gradients, respectively. The influence of copper fluoride and sulfide species on the diffusion coefficients is shown to be negligible. The effect of copper proportion and gas pressures on these diffusion coefficients is investigated. It is shown that increasing the proportion of copper generally increases the magnitude of the four diffusion coefficients, except for copper mole fractions of 90% or more. It is further found that increasing the pressure reduces the magnitude of the coefficients, except for the combined temperature diffusion coefficient, and shifts the maximum of all four coefficients towards higher temperatures. The results presented in this paper can be applied to the simulation of high-voltage circuit breaker arcs.
Radon diffusion coefficients in soils of varying moisture content
NASA Astrophysics Data System (ADS)
Papachristodoulou, C.; Ioannides, K.; Pavlides, S.
2009-04-01
Radon is a naturally occurring radioactive gas that is generated in the Earth's crust and is free to migrate through soil and be released to the atmosphere. Due to its unique properties, soil gas radon has been established as a powerful tracer used for a variety of purposes, such as exploring uranium ores, locating geothermal resources and hydrocarbon deposits, mapping geological faults, predicting seismic activity or volcanic eruptions and testing atmospheric transport models. Much attention has also been given to the radiological health hazard posed by increased radon concentrations in the living and working environment. In order to exploit radon profiles for geophysical purposes and also to predict its entry indoors, it is necessary to study its transport through soils. Among other factors, the importance of soil moisture in such studies has been largely highlighted and it is widely accepted that any measurement of radon transport parameters should be accompanied by a measurement of the soil moisture content. In principle, validation of transport models in the field is encountered by a large number of uncontrollable and varying parameters; laboratory methods are therefore preferred, allowing for experiments to be conducted under well-specified and uniform conditions. In this work, a laboratory technique has been applied for studying the effect of soil moisture content on radon diffusion. A vertical diffusion chamber was employed, in which radon was produced from a 226Ra source, was allowed to diffuse through a soil column and was finally monitored using a silicon surface barrier detector. By solving the steady-state radon diffusion equation, diffusion coefficients (D) were determined for soil samples of varying moisture content (m), from null (m=0) to saturation (m=1). For dry soil, a D value of 4.1×10-7 m2s-1 was determined, which increased moderately by a factor of ~3 for soil with low moisture content, i.e. up to m ~0.2. At higher water fractions, a decrease in D was initiated and became particularly pronounced approaching complete saturation; at m =0.9, D was as low as 2×10-9 m2s-1. A series of field experiments has also been conducted using alpha-track CR-39 detectors to follow the moisture-dependence of radon diffusion through soil under natural conditions. Diffusion coefficients were determined as a function of surface soil moisture assuming a one-dimensional diffusive radon transport model. Comparison between results obtained by the two methods showed that laboratory studies may provide a good indication of radon diffusion coefficients to be expected in the field. However, values determined in the field were systematically lower than those assessed in the laboratory. This finding could be attributed to soil-dependent parameters, such as differences in pore space geometry between the soil used in laboratory experiments and the undisturbed soil. In the latter case, the higher degree of compaction imposes a more tortuous pathway to soil gas, while at the same time the diffusive gas flux is hindered by local-scale zones of higher bulk density or water content.
NASA Astrophysics Data System (ADS)
Araruna, F. D.; Braz e Silva, P.; Carvalho, R. R.; Rojas-Medar, M. A.
2015-06-01
We consider the motion of a viscous incompressible fluid consisting of two components with a diffusion effect obeying Fick's law in ?3. We prove that there exists a small time interval where the fluid variables converge uniformly as the viscosity and the diffusion coefficient tend to zero. In the limit, we find a non-homogeneous, non-viscous, incompressible fluid governed by an Euler-like system.
Drift and longitudinal diffusion of lithium ions in helium
T. H. Lovaas; H. R. Skullerud; O.-H. Kristensen; D. Linhjell
1987-01-01
The drift velocity and the longitudinal diffusion coefficient have been measured for Li+ ions in He and 296 K and for 7
NASA Technical Reports Server (NTRS)
Ukanwa, A. O.
1974-01-01
This experiment was performed in Skylab 3 with two objectives in mind. First, the experimental self-diffusion coefficients for liquid zinc were to be determined in a convection-free environment. Secondly the reduction in convective mixing in earth gravity by going into the zero-gravity environment of space was to be estimated. The experiment was designed to utilize high temperatures and linear thermal gradients provided by the M518 Multipurpose Electric Furnace, and the radioactivity of zinc-65 of 245-day half-life to investigate self-diffusion in liquid zinc. The distribution of zinc-65 tracer, after melting, maintaining at soak temperature for 1 hour of soak time and then resolidifying, was obtained by sample sectioning. The concentration of activity of each section (microcurie-gram) was plotted against positions along the sample axial and radial position. Experimental data and theoretical results from solution of Fick's law of diffusion in one dimensional were compared. Samples tested on earth showed very rapid diffusion. Diffusion coefficient in unit gravity was 50 times the zero-gravity diffusion coefficient of Skylab.
Laboratory Determination of Water Retention and Diffusion Coefficient in Unsaturated Sand
K. Badv; M. R. Faridfard
2005-01-01
Laboratory methods were presented to measure water retention and chloride diffusion coefficient in unsaturated medium sand. A tempe-diffusion cell was designed and disturbed and undisturbed methods were used in the experiments. In the disturbed method, new sand sample was used in each diffusion test and diffusion coefficient was determined based on the observed and predicted concentrations versus soil depth, and
NASA Astrophysics Data System (ADS)
Garzó, Vicente; Murray, J. Aaron; Vega Reyes, Francisco
2013-04-01
The mass flux of a low-density granular binary mixture obtained previously by solving the Boltzmann equation by means of the Chapman-Enskog method is considered further. As in the elastic case, the associated transport coefficients D, Dp, and D' are given in terms of the solutions of a set of coupled linear integral equations which are approximately solved by considering the first and second Sonine approximations. The diffusion coefficients are explicitly obtained as functions of the coefficients of restitution and the parameters of the mixture (masses, diameters, and concentration) and their expressions hold for an arbitrary number of dimensions. In order to check the accuracy of the second Sonine correction for highly inelastic collisions, the Boltzmann equation is also numerically solved by means of the direct simulation Monte Carlo (DSMC) method to determine the mutual diffusion coefficient D in some special situations (self-diffusion problem and tracer limit). The comparison with DSMC results reveals that the second Sonine approximation to D improves the predictions made from the first Sonine approximation. We also study the granular segregation driven by a uni-directional thermal gradient. The segregation criterion is obtained from the so-called thermal diffusion factor ?, which measures the amount of segregation parallel to the temperature gradient. The factor ? is determined here by considering the second-order Sonine forms of the diffusion coefficients and its dependence on the coefficients of restitution is widely analyzed across the parameter space of the system. The results obtained in this paper extend previous works carried out in the tracer limit (vanishing mole fraction of one of the species) by some of the authors of the present paper.
Vicente Garzó; J. Aaron Murray; Francisco Vega Reyes
2013-03-26
The mass flux of a low-density granular binary mixture obtained previously by solving the Boltzmann equation by means of the Chapman-Enskog method is considered further. As in the elastic case, the associated transport coefficients $D$, $D_p$ and $D'$ are given in terms of the solutions of a set of coupled linear integral equations which are approximately solved by considering the first and second Sonine approximations. The diffusion coefficients are explicitly obtained as functions of the coefficients of restitution and the parameters of the mixture (masses, diameters and concentration) and their expressions hold for an arbitrary number of dimensions. In order to check the accuracy of the second Sonine correction for highly inelastic collisions, the Boltzmann equation is also numerically solved by means of the direct simulation Monte Carlo (DSMC) method to determine the mutual diffusion coefficient $D$ in some special situations (self-diffusion problem and tracer limit). The comparison with DSMC results reveals that the second Sonine approximation to $D$ improves the predictions made from the first Sonine approximation. We also study the granular segregation driven by a uni-directional thermal gradient. The segregation criterion is obtained from the so-called thermal diffusion factor $\\Lambda$, which measures the amount of segregation parallel to the temperature gradient. The factor $\\Lambda$ is determined here by considering the second-order Sonine forms of the diffusion coefficients and its dependence on the coefficients of restitution is widely analyzed across the parameter space of the system. The results obtained in this paper extend previous works carried out in the tracer limit (vanishing mole fraction of one of the species) by some of the authors of the present paper.
Mixing rules for multicomponent mixture mass diffusion coefficients and thermal diffusion factors.
Harstad, K G; Bellan, J
2004-03-22
Mixing rules are derived for mass diffusion coefficient and thermal diffusion factor matrices by developing compatibility conditions between the fluid mixture equations obtained from nonequilibrium thermodynamics and Grad's 13-moment kinetic theory. The mixing rules are shown to be in terms of the species mole fractions and binary processes. In particular, the thermal diffusion factors for binary mixtures obtained by the Chapman-Enskog expansion procedure are suitably generalized for many-component mixtures. Some practical aspects of the results are discussed including the utilization of these mixing rules for high pressure situations. PMID:15267444
Fukada, Satoshi; Anderl, Robert A.; Sagara, Akio; Nishikawa, Masabumi
2005-07-15
Diffusion coefficients of hydrogen isotopes in Flibe were correlated with making reference to previous relating data of F{sup -} ion self-diffusivity and Flibe viscosity and so on. Rates of tritium permeation through structural materials in a fusion reactor system with Flibe blanket were estimated comparatively under conditions with or without a Flibe permeation barrier. A way to lower the tritium leak rate below a level regulated by law was proposed, and its effectiveness was discussed.
Continuum Absorption Coefficient of Atoms and Ions
NASA Technical Reports Server (NTRS)
Armaly, B. F.
1979-01-01
The rate of heat transfer to the heat shield of a Jupiter probe has been estimated to be one order of magnitude higher than any previously experienced in an outer space exploration program. More than one-third of this heat load is due to an emission of continuum radiation from atoms and ions. The existing computer code for calculating the continuum contribution to the total load utilizes a modified version of Biberman's approximate method. The continuum radiation absorption cross sections of a C - H - O - N ablation system were examined in detail. The present computer code was evaluated and updated by being compared with available exact and approximate calculations and correlations of experimental data. A detailed calculation procedure, which can be applied to other atomic species, is presented. The approximate correlations can be made to agree with the available exact and experimental data.
Computing quasi-linear diffusion coefficients using the delta-f particle-in-cell method
Austin, T. M.; Smithe, D. N.; Ranjbar, V.
2009-11-26
Linear wave codes AORSA and TORIC couple to the bounce-averaged nonlinear Fokker-Planck code CQL3D through quasi-linear diffusion coefficients. Both linear wave codes rely on the quasi-local approximation that includes only first-order parallel and perpendicular gradient variations of cyclotron frequency and ignores field line curvature along with temperature and density gradient effects. The delta-f particle-in-cell (DFPIC) method has been successfully used for simulating ion-cyclotron fast wave behavior. This method also permits particle behavior such as multiple pass resonance, banana orbits, and superadiabaticity. We present new work on generating quasi-linear diffusion coefficients using the DFPIC method that will permit the electromagnetic particle-in-cell (EMPIC) code, VORPAL, to couple to CQL3D and to compare to AORSA and TORIC. A new multiple weight delta-f approach will be presented that converts velocity derivatives to action derivatives and yields a full tensor quasi-linear diffusion coefficient.
Film-pore diffusion modeling for the sorption of metal ions from aqueous effluents onto peat.
Chen, B; Hui, C W; McKay, G
2001-10-01
The sorption of three metal ions, namely, copper, nickel and lead onto sphagnum peat moss has been studied using an agitated batch sorber system. The equilibrium isotherms were determined and kinetic runs were performed over a range of concentrations for each metal ion. A film-pore diffusion mass transfer model has been developed based on a single effective diffusion coefficient for each system. Error analysis of the experimental and theoretical data indicated relatively large errors at low initial metal ion concentrations. Therefore the model was modified to introduce a surface coverage concentration dependent effective diffusivity to account for a contribution from surface diffusion. PMID:11547855
Hammett, Greg
to these implicit algorithms that cures this difficulty. To illustrate the method, we start with a simple diffusionShort Note On 1D diffusion problems with a gradient-dependent diffusion coefficient S.C. Jardin a: Numerical methods Newtons method Diffusion equations Magnetic fusion In solving the 1D (flux surface
Sodium ion diffusion in Al2O3: a distinct perspective compared with lithium ion diffusion.
Jung, Sung Chul; Kim, Hyung-Jin; Choi, Jang Wook; Han, Young-Kyu
2014-11-12
Surface coating of active materials has been one of the most effective strategies to mitigate undesirable side reactions and thereby improve the overall battery performance. In this direction, aluminum oxide (Al2O3) is one of the most widely adopted coating materials due to its easy synthesis and low material cost. Nevertheless, the effect of Al2O3 coating on carrier ion diffusion has been investigated mainly for Li ion batteries, and the corresponding understanding for emerging Na ion batteries is currently missing. Using ab initio molecular dynamics calculations, herein, we first find that, unlike lithiation, sodiation of Al2O3 is thermodynamically unfavorable. Nonetheless, there can still exist a threshold in the Na ion content in Al2O3 before further diffusion into the adjacent active material, delivering a new insight that both thermodynamics and kinetics should be taken into account to describe ionic diffusion in any material media. Furthermore, Na ion diffusivity in NaxAl2O3 turns out to be much higher than Li ion diffusivity in LixAl2O3, a result opposite to the conventional stereotype based on the atomic radius consideration. While hopping between the O-rich trapping sites via an Na-O bond breaking/making process is identified as the main Na ion diffusion mechanism, the weaker Na-O bond strength than the Li-O counterpart turns out to be the origin of the superior diffusivity of Na ions. PMID:25286155
Measurement of diffusion coefficient of propylene glycol in skin tissue
NASA Astrophysics Data System (ADS)
Genin, Vadim D.; Bashkatov, Alexey N.; Genina, Elina A.; Tuchin, Valery V.
2015-03-01
Optical clearing of the rat skin under the action of propylene glycol was studied ex vivo. It was found that collimated transmittance of skin samples increased, whereas weight and thickness of the samples decreased during propylene glycol penetration in skin tissue. A mechanism of the optical clearing under the action of propylene glycol is discussed. Diffusion coefficient of propylene glycol in skin tissue ex vivo has been estimated as (1.35±0.95)×10-7 cm2/s with the taking into account of kinetics of both weight and thickness of skin samples. The presented results can be useful for enhancement of many methods of laser therapy and optical diagnostics of skin diseases and localization of subcutaneous neoplasms.
Diffusion studies with radioactive ions
NASA Astrophysics Data System (ADS)
Räisänen, J.; Whitlow, H. J.
2014-01-01
An overview of the modified radiotracer based diffusion studies carried out at IGISOL is provided. The experimental procedures are briefly described followed by examples involving IGISOL as the key facility. In this respect the studies related to silicon-germanium (Si1 - xGex) alloys and on the related diffusion systematics are summarized. Another group of examples is related to mobility determination of lead isotopes in glass for verifying retrospective radon measurements. Finally an outlook to future possibilities related to employing radiotracers in solid state research is provided.
Magnetic configuration in ion diffusion region
NASA Astrophysics Data System (ADS)
Zhang, Y.; Shen, C.; Liu, Z.; Rong, Z.
2014-12-01
To put it simply, magnetic reconnection is characterized by the sharp change of magnetic configuration from anti-parallel shape to interconnected shape. However, the present of guide field before reconnection onset and Hall field during reconnection onset make the magnetic configuration related to reconnection more complicated. In this presentation, utilizing the 4-points Cluster magnetic measurements and applying the Magnetic Rotation Analysis (MRA), we investigate the spacial variaty of physical parameters reflecting how the magnetic field lines in ion diffusion region distribute and configure: magnetic gradient and direction, curvature direction and curvature radius. Based on the resulted parameters, for the first time, we recover the quantified map of magnetic configuration in ion diffusion regions. The behavior of particles in ion diffusion region can be reevaluated in the frame of the achieved magnetic configuration.
O. Truc; J. P. Ollivier; M. Carcassès
2000-01-01
This paper presents a new method for measuring the chloride diffusion coefficient in concrete from steady state migration tests. First, we review concepts of the steady-state diffusion and migration tests. We emphasize that these tests have limitations if we use them in the classical way. Then, we show how it is possible to determine the chloride diffusion coefficient from a
Determination of the diffusion coefficient of tissue, cuticle, cutin and wax of apple
Els A Veraverbeke; Pieter Verboven; Nico Scheerlinck; My Lan Hoang
2003-01-01
The cuticle of apple basically consists of a cutin and wax layer in parallel each with different diffusion properties. Diffusion coefficients were determined for the apple cultivars ‘Jonagold’, ‘Jonagored’ and ‘Elstar’ to accurately describe moisture transport through the cuticular membrane. Separate diffusion coefficients were estimated for tissue, cutin and wax of each cultivar by fitting model predictions, obtained with the
Diffusion coefficient and radial gradient of galactic cosmic rays
Modzelewska, Renata
2015-01-01
We present the temporal changes of the diffusion coefficient K of galactic cosmic rays (GCRs) at the Earth orbit calculated based on the experimental data using two different methods. The first approach is based on the Parker convection-diffusion approximation of GCR modulation [1]: i.e. K~Vr=dI where dI is the variation of the GCR intensity measured by neutron monitors (NM),V is the solar wind velocity and r is the radial distance. The second approach is based on the interplanetary magnetic field (IMF) data. It was suggested that parallel mean free path can be expressed in terms of B as in [2]-[4]. Using data of the product of the parallel mean free path and radial gradient of GCR calculated based on the GCR anisotropy data (Ahluwalia et al., this conference ICRC 2013, poster ID: 487 [5]), we estimate the temporal changes of the radial gradient of GCR at the Earth orbit. We show that the radial gradient exhibits a strong solar cycle dependence (11-year variation) and a weak solar magnetic cycle dependence (2...
The solid-phase diffusion coefficient (Dm) and material-air partition coefficient (Kma) are key parameters for characterizing the sources and transport of semivolatile organic compounds (SVOCs) in the indoor environment. In this work, a new experimental method was developed to es...
Prediction of Self-Diffusion Coefficients of Fluids Based on Friction and Free Volume Theories
NASA Astrophysics Data System (ADS)
Zhong, Qiu; Yang, Liping; Tao, Ye; Luo, Caiyun; Xu, Zijun; Xi, Tonggeng
2015-07-01
With a combination of friction and free volume theories, a new equation for calculating the self-diffusion coefficient is presented based on molecular dynamics simulation data in the literature. The equation could be applied to calculate the self-diffusion coefficient of real fluids in the gas or liquid phase. The equation was used to calculate the self-diffusion coefficients of 18 substances. The absolute average relative deviation was 13.79 %.
Arunyawongsakorn, U.; Johnson, C.S. Jr.; Gabriel, D.A.
1985-04-01
Holographic relaxation spectroscopy has been used to measure tracer diffusion coefficients for photochromically labeled bovine serum albumin in solutions having total bovine serum albumin concentrations in the range 3.25 to 257 g/liter. In the limit of zero concentration, the diffusion coefficient was found to be 5.9 X 10(-7) cm/sup 2//s and the initial slope was zero. The concentration dependence of the diffusion coefficient was not significantly affected by the fraction of protein molecules which were labeled. Holographic relaxation spectroscopy permits rapid, accurate determination of tracer diffusion coefficients for proteins in mixtures.
Shalchi, A., E-mail: andreasm4@yahoo.com [Department of Physics and Astronomy, University of Manitoba, Winnipeg, Manitoba R3T 2N2 (Canada)
2013-09-01
We explore perpendicular diffusion based on the unified nonlinear transport theory. We derive simple analytical forms for the perpendicular mean free path and investigate the influence of different model spectra. We show that for cases where the field line random walk is normal diffusive, the perpendicular diffusion coefficient consists of only two transport regimes. Details of the spectral shape are less important, especially those of the inertial range. Only the macroscopic properties of the turbulence spectrum control the perpendicular diffusion coefficient. Simple formulae for the perpendicular diffusion coefficient are derived which can easily be implemented in solar modulation or shock acceleration codes.
Spin Diffusion Coefficient of A1-PHASE of Superfluid 3He at Low Temperatures
NASA Astrophysics Data System (ADS)
Afzali, R.; Pashaee, F.
The spin diffusion coefficient tensor of the A1-phase of superfluid 3He at low temperatures and melting pressure is calculated using the Boltzmann equation approach and Pfitzner procedure. Then considering Bogoliubov-normal interaction, we show that the total spin diffusion is proportional to 1/T2, the spin diffusion coefficient of superfluid component D\\uparrowxzxz is proportional to T-2, and the spin diffusion coefficient of super-fluid component D\\uparrowxxxx (=D\\uarrowxyxy) is independent of temperature. Furthermore, it is seen that superfluid components play an important role in spin diffusion of the A1-phase.
High silicon self-diffusion coefficient in dry forsterite
NASA Astrophysics Data System (ADS)
Katsura, T.; Fei, H.; Hegoda, C.; Yamazaki, D.; Wiedenbeck, M.; Yurimoto, H.; Shcheka, S.
2012-12-01
Plastic deformation of mantle minerals is believed to be controlled by self-diffusion of the slowest species, which is silicon in silicate minerals. Olivine is the main constituent of upper mantle. Therefore, silicon self-diffusion coefficient (DSi) in olivine provides the basic information of upper mantle rheology. Dohmen et al. [1] and Jaoul et al. [2] measured the DSi at ambient pressure under dry conditions in natural olivine and iron-free forsterite, respectively. However, their results were ~2-3 orders of magnitude lower than that estimated from deformation experiments [3]. In this study, we revisited DSi in forsterite and resolved this discrepancy [4]. Forsterite single crystals were polished in colloidal silica solution, deposited with 300-500 nm of 29Si enriched Mg2SiO4 films, covered by 100 nm of ZrO2 films, and annealed at 1600-1800 K from ambient pressure up to 13 GPa using an ambient pressure furnace and multi-anvil apparatus. The surface roughness after diffusion were reduced to <50 nm by polishing again in colloidal silica solution. Diffusion profiles were obtained by SIMS. Water contents in the samples were <1 ?g/g by FT-IR [4]. logDSi were determined to be -19.7±0.4 and -18.1±0.3 log[m2/s] under ambient pressure at 1600 and 1800 K, respectively. These values were 2.4 orders of magnitude higher than that determined by Jaoul et al. [2] in forsterite, as well as that reprted by Dohmen et al. [1] in natural olivine. Their low DSi could be obtained due to the bad contact of the coated films with the substrate. Our results well explain the high dislocation climb rates in deformation experiments [4]. We also determined a small negative pressure dependence of DSi with an activation volume of 1.7±0.4 cm3/mol, and an activation energy of ~410 kJ/mol. Calibratied to the same temperature, the nearly linear relationship of DSi against pressure in dry forsterite in this study, iron and water bearing wadsleyite and ringwoodite by Shimojuku et al. [5] demostrates that effects of iron, water, and structural difference of (Mg,Fe)2SiO4 polymorphs on silicon diffusion are small. Viscosity in upper mantle should be almost constant with depth by assuming it inversely proportional to DSi [4]. [1] Dohmen et al. (2002), GRL 29 (21), 2030. [2] Jaoul et al. (1981), Anelasticity in the Earth, Geodyn. 4, 95-100. [3] Goetze and Kohlstedt (1973), JGR 78 (26), 5961-5971. [4] Fei et al. (2012), EPSL 345-348, 95-103. [5] Shimojuku et al. (2009), EPSL 284, 103-112.
Rui Lin Wang; Kin Yip Tam; Richard G. Compton
1997-01-01
A chronoabsorptometric method has been used to determine the diffusion coefficients of electrogenerated radical ions from a wide range of compounds. The technique was first verified using the well-established ferro\\/ferricyanide system and excellent agreement between experiment and literature noted. The effect of solvent on the diffusion coefficient was exemplified by means of the N,N,N?,N?-tetramethyl-p-phenylenediamine radical cation in water, ethanol and
Diffusion Coefficients of Three Organic Solutes in Aqueous Sodium Dodecyl Sulfate Solutions
Xiao-ning Yang; Michael A. Matthews
2000-01-01
Tracer diffusion coefficients of phenol, toluene, and benzoic acid in aqueous solutions of sodium dodecyl sulfate (SDS) were measured by the Taylor dispersion technique. In addition, the viscosities and densities of the SDS solutions were measured. For phenol and toluene, the effect of micelle formation on the diffusion coefficient is pronounced. When the SDS concentration is below the critical micelle
In this study, we measure effective diffusion coefficients for trichloroethene in undisturbed soil samples taken from Picatinny Arsenal, New Jersey. The measured effective diffusion coefficients ranged from 0.0053 to 0.0609 cm^{2}/s over a range of air...
Abstract In this study, we measure effective diffusion coefficients for trichloroethene in undisturbed soil samples taken from Picatinny Arsenal, New Jersey. The measured effective diffusion coefficients ranged from 0.0053 to 0.0609 cm2/s over a range of air...
Technology Transfer Automated Retrieval System (TEKTRAN)
Knowledge of the diffusion coefficient is necessary for modeling gas transport in soils and other porous media. This study was conducted to determine the relationship between the diffusion coefficient and pore structure parameters, such as the fractal dimension of pores (Dmp), the shortest path leng...
Low coefficient of thermal expansion polyimides containing metal ion additives
NASA Technical Reports Server (NTRS)
Stoakley, D. M.; St. Clair, A. K.
1992-01-01
Polyimides have become widely used as high performance polymers as a result of their excellent thermal stability and toughness. However, lowering their coefficient of thermal expansion (CTE) would increase their usefulness for aerospace and electronic applications where dimensional stability is a requirement. The incorporation of metal ion-containing additives into polyimides, resulting in significantly lowered CTE's, has been studied. Various metal ion additives have been added to both polyamic acid resins and soluble polyimide solutions in the concentration range of 4-23 weight percent. The incorporation of these metal ions has resulted in reductions in the CTE's of the control polyimides of 12 percent to over 100 percent depending on the choice of additive and its concentration.
NASA Astrophysics Data System (ADS)
Saito, Yuria; Yamamoto, Hitoshi; Nakamura, Osamu; Kageyama, Hiroyuki; Ishikawa, Hiroshi; Miyoshi, Tatsuo; Matsuoka, Masao
Pulsed field gradient NMR measurements were carried out to determine the self-diffusion coefficients of the Li ion ( DLi) and anion ( DF) by 7Li and 19F species. The DF of LiCF 3SO 3 in propylene carbonate (PC) solvent increased with the decrease of molar concentration and larger than DLi in whole concentration region. The DLi also increased with the concentration decrease and then saturated in the lower concentration region. The effective ionic radius of lithium estimated from the DLi was about four times larger than that of naked Li ion. This indicates the solvation effect of PC on dissociated Li ions. In order to enhance the Li ion transport number of electrolytes, two types of acidic materials, trimethoxyborane ((CH 3O) 3B) and trimethyleneborate ((CH 2) 3(BO 3C 3H 6) 2) were added into PC solution of LiCF 3SO 3 changing the mixing ratio of the salt to the acid. The DF decreased with the increase of (CH 3O) 3B content in spite of the decrease of the solution viscosity. The addition of (CH 2) 3(BO 3C 3H 6) 2, on the other hand, induced decrease of both DLi and DF, mainly due to the increase of the solution viscosity. These results suggest that (CH 3) 3BO 3 is effective to increase the transport number due to the acidic trapping effect on anions.
Kazuhiko Seki; Sanoop Ramachandran; Shigeyuki Komura
2011-07-22
The diffusion coefficient of a circular shaped inclusion in a liquid membrane is investigated by taking into account the interaction between membranes and bulk solvents of arbitrary thickness. As illustrative examples, the diffusion coefficients of two types of inclusions - a circular domain composed of fluid with the same viscosity as the host membrane and that of a polymer chain embedded in the membrane are studied.The diffusion coefficients are expressed in terms of the hydrodynamic screening lengths which vary according to the solvent thickness. When the membrane fluid is dragged by the solvent of finite thickness, via stick boundary conditions, multiple hydrodynamic screening lengths together with the weight factors to the diffusion coefficients are obtained from the dispersion relation. The condition for which the diffusion coefficients can be approximated by the expression including only a single hydrodynamic screening length are also shown.
NASA Astrophysics Data System (ADS)
Seki, Kazuhiko; Ramachandran, Sanoop; Komura, Shigeyuki
2011-08-01
The diffusion coefficient of an inclusion in a liquid membrane is investigated by taking into account the interaction between membranes and bulk solvents of arbitrary thickness. As illustrative examples, the diffusion coefficients of two types of inclusions, a circular domain composed of fluid with the same viscosity as the host membrane and that of a polymer chain embedded in the membrane, are studied. The diffusion coefficients are expressed in terms of the hydrodynamic screening lengths, which vary according to the solvent thickness. When the membrane fluid is dragged by the solvent of finite thickness, via stick boundary conditions, multiple hydrodynamic screening lengths together with the weight factors to the diffusion coefficients are obtained from the characteristic equation. The conditions for which the diffusion coefficients can be approximated by the expression including only a single hydrodynamic screening length are also shown.
NASA Astrophysics Data System (ADS)
Ilia Anisa, Nor; Azian, Noor; Sharizan, Mohd; Iwai, Yoshio
2014-04-01
6-gingerol and 6-shogaol are the main constituents as anti-inflammatory or bioactive compounds from zingiber officinale Roscoe. These bioactive compounds have been proven for inflammatory disease, antioxidatives and anticancer. The effect of temperature on diffusion coefficient for 6-gingerol and 6-shogaol were studied in subcritical water extraction. The diffusion coefficient was determined by Fick's second law. By neglecting external mass transfer and solid particle in spherical form, a linear portion of Ln (1-(Ct/Co)) versus time was plotted in determining the diffusion coefficient. 6-gingerol obtained the higher yield at 130°C with diffusion coefficient of 8.582x10-11 m2/s whilst for 6-shogaol, the higher yield and diffusion coefficient at 170°C and 19.417 × 10-11 m2/s.
Measurements of self-diffusion coefficients of water in porous membranes by PFG-NMR
Kazuya Nitta; Makoto Natsuisaka; Akihiko Tanioka
1999-01-01
Self-diffusion coefficients of water in inhomogeneous materials — porous cellulose acetate membranes (MF: average pore sizes 0.025, 0.8 and 8.0 ?m) and ceramic membrane (CM: average pore size 4.4 ?m) — were measured as a function of diffusion time using PFG-NMR. The relationship between the water diffusion coefficient and the membrane structure, as determined by SEM, was examined. The magnitude
Ternary mutual diffusion coefficients of KCl-LaCl 3 -water mixtures from taylor dispersion profiles
Zhiping Deng; Derek G. Leaist
1992-01-01
The Taylor dispersion (peak-broadening) method is used to measure ternary mutual diffusion coefficients at 25°C for fifteen different compositions of the system KCl-LaCl3-water at ionic strengths from 0.02 to 0.24 mol-dm-3. The diffusion coefficients are evaluated by least-squares analysis of the refractive index profiles across the dispersed solute peaks. Diffusing LaCl3 is found to cotransport significant amounts of KCl. Monte
Measurement of ageing effect on chloride diffusion coefficients in cementitious matrices
NASA Astrophysics Data System (ADS)
Andrade, C.; Castellote, M.; d'Andrea, R.
2011-05-01
Most of the low-level nuclear waste disposal facilities are based in engineered multi barrier systems where reinforced concrete is one of the basic materials. The calculation of the time until steel reinforcement depassivation is a need due to the demand of prediction of the service life of concrete structures in radioactive repositories. In doing that, one of the main steps is the transport of chloride ions towards the reinforcement, as one of the most aggressive agents for the rebars in concrete is chloride ions. Ageing of concrete related to chloride penetration leads to significant decrease of the "apparent diffusion" coefficient with time. If this effect is not considered, considerable bias can be introduced when predicting service life of reinforced concrete of repositories. Several effects have been addressed on their influence on the ageing of concrete, including the evolution with time of the concrete pore refinement, the binding of chlorides to the cement phases and to the changes of chloride "surface concentration". These effects have been studied in specimens made with different mixes trying to represent a wide range of mineral addition proportions. The analysis of their evolution with time has shown that the resistivity alone or the joint consideration of resistivity and binding capacity ( Cb/ Cf), are appropriate parameters to appraise the diffusivity ageing. For practical reasons, an accelerated procedure is proposed in order to calculate ageing for short periods of time.
J. Baranski; E. Bich; E. Vogel; J. K. Lehmann
2003-01-01
A measuring system for the determination of binary diffusion coefficients of gases has been developed. The lower and upper half cells of the Loschmidt diffusion cell are fixed, one upon the other, contrary to the usual shearing cells. A sliding component between the half cells is moved to connect them and to start the diffusion. The concentration changes due to
Technology Transfer Automated Retrieval System (TEKTRAN)
The diffusion coefficient of water in biobased hydrogels were measured utilizing a simple NMR method. This method tracks the migration of deuterium oxide through imaging data that is fit to a diffusion equation. The results show that a 5 wt% soybean oil based hydrogel gives aqueous diffusion of 1.37...
Simple deterministic dynamical systems with fractal diffusion coefficients R. Klages1,
Klages, Rainer
Simple deterministic dynamical systems with fractal diffusion coefficients R. Klages1, * and J. R January 1999 We analyze a simple model of deterministic diffusion. The model consists of a one that the largest eigenmodes of the map match the ones of the simple phenomenological diffusion equation. Our main
Impurity Diffusion Coefficients of Al and Zn in Mg Determined from Solid-to-Solid Diffusion Couples
Kammerer, Catherine [University of Central Florida, Orlando; Kulkarni, Nagraj S [ORNL; Warmack, Robert J Bruce [ORNL; Perry, Kelly A [ORNL; Belova, Irina [University of Newcastle, NSW, Australia; Murch, Prof. Graeme [University of Newcastle, NSW, Australia; Sohn, Yong Ho [University of Central Florida
2013-08-01
Increasing use and development of lightweight Mgalloys have led to the desire for more fundamental research in and understanding of Mg-based systems. As property enhancing components, Al and Zn are two of the most important and common alloying elements for Mg-alloys. We have investigated the concentration dependent interdiffusion of Al and Zn in Mg using diffusion couples of pure polycrystalline Mg mated to Mg solid solutions containing either <9 at.% Al or <3 at.% Zn. Concentration profiles were determined by electron micro-probe microanalysis of the diffusion zone. The interdiffusion coefficients were determined by the classical Boltzmann-Matano method within the Mg solid solution. As the concentration of Al or Zn approaches the dilute ends, we employ an analytical approach based on the Hall method to estimate the impurity diffusion coefficients. Results of Al and Zn impurity diffusion in Mg are reported and compared to published impurity diffusion coefficients typically determined by thin film techniques.
Yamen Hamdouni
2010-05-23
The elements of the quantum mechanical diffusion matrix, leading to a Gibbs equilibrium state for a set of $N$ coupled quantum harmonic oscillators are derived within Lindblad's axiomatic approach. Consequences of the fundamental constraints on the quantum friction coefficients are discussed. We derive the equations of motion for the expectation values and variances, and we solve them analytically. We apply our results to the description of the charge and mass asymmetry coordinates in heavy-ion collisions, and we investigate the effect of dissipation on tunneling in sub-barrier processes.
Nonlinearity Effects of Lateral Density Diffusion Coefficient on Gain-Guided VCSEL Performance
NASA Technical Reports Server (NTRS)
Li, Jian-Zhong; Cheung, Samson H.; Ning, C. Z.; Biegel, Bryan (Technical Monitor)
2001-01-01
Electron and hole diffusions in the plane of semiconductor quantum wells play an important part in the static and dynamic operations of semiconductor lasers. In this paper, we apply a hydrodynamic model developed from the semiconductor Bloch equations to numerically study the effects of nonlinearity in the diffusion coefficient on single mode operation and direct modulation of a gain-guided InGaAs/GaAs multiple quantum well laser, operating not too far from threshold. We found that a small diffusion coefficient is advantageous for lowering the threshold current and increasing the modulation bandwidth. Most importantly, the effects of nonlinearity in the coefficient can be approximately reproduced by replacing the coefficient with an effective constant diffusion coefficient, which corresponds roughly to the half height density of the density distribution.
NONLINEAR STRUCTURE TENSOR USING DIFFUSION COEFFICIENTS BASED ON IMAGE
Chang-Ock Lee; Jooyoung Hahn
A low level image processing, for examples, image denoising and finding a local structure in an image, is one of essential processes in computer vision. The nonlinear structure tensor (1) based on an anisotropic nonlinear diffusion processes has shown its capability for presenting useful information of an image, such as homogeneous regions, edges, and corners. The diffusion process to obtain
Predicting cation diffusion coefficients in clays and clay rocks
Thomas Gimmi; Georg Kosakowski; Martin A. Glaus
2010-01-01
Clay rocks are considered in several European countries as potential host rock formations for the underground disposal of radioactive waste. Because of their very low hydraulic conductivities, spreading of radionuclides through such formations may predominantly occur by molecular diffusion. Many experimental studies are thus being performed to investigate the diffusion of cations and other potential contaminants through various clay rocks
Laboratory determination of chloride diffusion coefficient in an intact shale
F. S. Barone; R. K. Rowe; R. M. Quigley
1990-01-01
An experimental investigation of diffusive transport of a nonreactive solute (chloride) in saturated, intact Queenston Shale is described. Laboratory tests were performed by placing distilled water in contact with samples of shale having a high initial concentration of chloride in their pore water. Chloride was then permitted to diffuse out of the shale and into the distilled water reservoir for
Marupatch Jamnongwong; Karine Loubiere; Nicolas Dietrich; Gilles Hébrard
2010-01-01
This present paper proposes new investigations aiming at: (i) studying the effect on oxygen diffusion coefficients of the presence in clean water of some compounds usually encountered in biological media and (ii) quantifying their consequences on liquid-side mass transfer coefficients. The oxygen diffusion coefficients D were firstly measured in various synthetic liquid phases containing either salt (NaCl), sugar (glucose) or
Otoniel Corzo; Nelson Bracho
2007-01-01
The water effective diffusion coefficient of sardine sheets during vacuum pulse osmotic dehydration was determined. Sardine sheets (20.1×15.0×6.4mm3) were osmotic dehydrated at brine concentrations between 0.15 and 0.27g NaCl\\/g, and temperatures between 32 and 38°C. The water effective diffusion coefficient ranged approximately from 1.46×10?10m2\\/s to 2.41×10?10m2\\/s. In general, diffusion coefficient increased with increasing concentration and temperature. Dependence on temperature followed
Torquato, Salvatore
Effective conductivity, dielectric constant, and diffusion coefficient of digitized composite media, dielectric constant and diffusion coefficient of digitized composite media. This is accomplished by first of digitized representations of composite materials via Brownian motion simulations. We note that for reasons
Pean, Clarisse; Daffos, Barbara; Rotenberg, Benjamin; Levitz, Pierre; Haefele, Matthieu; Taberna, Pierre-Louis; Simon, Patrice; Salanne, Mathieu
2015-10-01
Supercapacitors are electrochemical devices which store energy by ion adsorption on the surface of a porous carbon. They are characterized by high power delivery. The use of nanoporous carbon to increase their energy density should not hinder their fast charging. However, the mechanisms for ion transport inside electrified nanopores remain largely unknown. Here we show that the diffusion is characterized by a hierarchy of time scales arising from ion confinement, solvation, and electrosorption effects. By combining electrochemistry experiments with molecular dynamics simulations, we determine the in-pore conductivities and diffusion coefficients and their variations with the applied potential. We show that the diffusion of the ions is slower by 1 order of magnitude compared to the bulk electrolyte. The desolvation of the ions occurs on much faster time scales than electrosorption. PMID:26369420
2015-01-01
Supercapacitors are electrochemical devices which store energy by ion adsorption on the surface of a porous carbon. They are characterized by high power delivery. The use of nanoporous carbon to increase their energy density should not hinder their fast charging. However, the mechanisms for ion transport inside electrified nanopores remain largely unknown. Here we show that the diffusion is characterized by a hierarchy of time scales arising from ion confinement, solvation, and electrosorption effects. By combining electrochemistry experiments with molecular dynamics simulations, we determine the in-pore conductivities and diffusion coefficients and their variations with the applied potential. We show that the diffusion of the ions is slower by 1 order of magnitude compared to the bulk electrolyte. The desolvation of the ions occurs on much faster time scales than electrosorption. PMID:26369420
NASA Astrophysics Data System (ADS)
Ray, E.; Bunton, P.; Pojman, J. A.
2007-10-01
A simple technique for determining the diffusion coefficient between two miscible liquids is presented based on observing concentration-dependent ultraviolet-excited fluorescence using a digital camera. The ultraviolet-excited visible fluorescence of corn syrup is proportional to the concentration of the syrup. The variation of fluorescence with distance from the transition zone between the fluids is fit by the Fick's law solution to the diffusion equation. By monitoring the concentration at successive times, the diffusion coefficient can be determined in otherwise transparent materials. The technique is quantitative and makes measurement of diffusion accessible in the advanced undergraduate physics laboratory.
NASA Astrophysics Data System (ADS)
Harvey, Stephen C.; Mellado, Pelayo; García de la Torre, José
1983-02-01
We present an algorithm for the calculation of the resistance coefficients and diffusion coefficients for the translational and rotational motions of a particle composed of two rigid subunits joined at a single point of articulation. By modeling each subunit as a collection of hydrodynamic resistance elements or beads, the method allows the full inclusion of all hydrodynamic interactions. The generalized coordinates have been chosen in such a way that it is easy to treat cases with seven, eight, or nine degrees of freedom (the subunits being joined at a hinge, a universal joint, or a swivel), as well as the intermediate cases where the internal motions are opposed by restoring forces, and analytic expressions are given for the resistance and diffusion coefficients for these cases. The examination of the dependence of the various coefficients on the choice of the origin of the coordinate system reveals that the rotational diffusion coefficients are independent of the location of the origin, so any convenient point (such as the point of articulation) can be used for the analysis of rotational diffusion. On the other hand, the calculated translational diffusion coefficient does depend on the choice of origin, and we discuss the still unresolved problem of how to find the origin that will give a value corresponding to the experimentally observed translational diffusion coefficient. One specific application of the method is examined in detail, that of a particle made up of three identical spheres with one sphere for each arm and the central sphere serving as the joint. The various rotational diffusion coefficients of the model particle are given, and it is seen that ignoring hydrodynamic interactions produces large effects in the calculated values. Calculations on this same model also demonstrate the sensitivity of the calculated translational diffusion coefficient both to the effects of ignoring hydrodynamic interactions and to the choice of coordinate system.
Experimental determination of the diffusion coefficient of dimethylsulfide in water
E. S. Saltzman; D. B. King; K. Holmen; C. Leck
1993-01-01
Estimates of the sea-to-air flux of dimethylsulfide (DMS) are based on sea surface concentration measurements and gas exchange calculations. Such calculations are dependent on the diffusivity of DMS (DDMS), which has never been experimentally determined. In this study the diffusivity of DMS in pure water was measured over a temperature range of 5°-30°C. The measurements were made using a dynamic
NASA Astrophysics Data System (ADS)
Jafari Raad, Seyed Mostafa; Azin, Reza; Osfouri, Shahriar
2015-03-01
Storage and disposal of CO2 as the main component of greenhouse gases in saline aquifers require careful measurement of diffusivity for predicting rate of transfer and cumulative amount of trapped gas. Little information is available on diffusion of CO2 in highly concentrated saline aquifers at reservoir conditions. In this study, diffusivity of CO2 was measured into different solutions, including saline aquifer taken from oil field, distilled water and synthetic solutions prepared from four most common ions, Mg2+, Ca2+, K+, Na+. The roles of salvation effect and hydration phenomenon were studied on diffusivity of dissolved CO2. Synthetic solutions were prepared at concentration ranges of 83-200 g/l. Experimental measurements were reported at temperature and pressure ranges of 30-40 °C and 5,880-6,265 kPa, respectively. Results show that both type and concentration of ion affect CO2 diffusivity. Diffusion coefficient was found dependent on effective radius of hydrated ions. Also, CO2 diffusivity increase by increasing strength of bonds between ion and neighbor water molecules. Also, presence of ions in water solution creates hydration competition between solution metal ions and aqua ions from diffusive gas. The Mg2+ cation, which has strongest hydration competition among other ions, has an increasing effect on gas diffusivity into saline aquifer. However, increasing ion concentration in solution decreases diffusivity of CO2 due to growth in fraction of contact ion pairs. Results of this study provide unique measures of CO2 diffusion coefficient in saline aquifer at high pressure and temperature conditions and conceptual information about effect of each common saline formation ion on gas diffusivity.
Manzini, Gianmarco [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Cangiani, Andrea [University of Leicester, Leicester (United Kingdom); Sutton, Oliver [University of Leicester, Leicester (United Kingdom)
2014-10-02
This document presents the results of a set of preliminary numerical experiments using several possible conforming virtual element approximations of the convection-reaction-diffusion equation with variable coefficients.
Binary mutual diffusion coefficients of aqueous alcohols. Methanol to 1-heptanol
Hao, L.; Leaist, D.G.
1996-03-01
Mutual diffusion coefficients, measured by Taylor dispersion at 25 C, are reported for binary aqueous solutions of methanol, ethanol, isomeric propanols and butanols, 1-pentanol, 1-hexanol, and 1-heptanol. Limiting diffusion coefficients (D{sup 0}) for the 1-alkanols are found to decrease with alcohol molar volume V approximately as V{sup {minus}1/2}. Although values of D{sup 0} for aqueous 1-propanol and 2-propanol are nearly identical within experimental error, the limiting diffusion coefficients of the isomeric butanols differ by up to 10% and increase in the order D{sup 0}(2-methyl-2-propanol) < D{sup 0}(2-butanol) {approx} D{sup 0}(2-methyl-1-propanol) < D{sup 0}(1-butanol). The butanol results illustrate the difficulty of predicting accurate diffusion coefficients for aqueous solutions.
On the determinatino of high-pressure mass-diffusion coefficients for binary mixtures
NASA Technical Reports Server (NTRS)
Bellan, J.; Harstad, K.
2003-01-01
A model for high-pressure binary diffusion coefficient calculation is proposed based on considerations originating from recasting both the low pressure kinetic theory and the Stokes-Einstein infinite dilution expressions into forms consistent with corresponding states theory.
Lai, C.C.; Tan, C.S. (National Tsing Hua Univ., Hsinchu (Taiwan, Province of China). Dept. of Chemical Engineering)
1995-02-01
Molecular diffusion coefficients of ethyl acetate, toluene, phenol, and caffeine in supercritical carbon dioxide were measured by a chromatographic peak broadening technique in a coated capillary column at temperatures of 308, 318, and 328 K and pressures up to 145 bar. A linear adsorption in the polymer layer coated on the inner wall of the capillary column was observed. The experimentally determined diffusion coefficients showed substantial agreement with those reported in the literature. The diffusion coefficients were in the order of 10[sup [minus]4] cm[sup 2]/s and decreased with increasing carbon dioxide density. Based on the molecular diffusion coefficient data reported here and those published elsewhere, an empirically modified Wilke-Chang equation was proposed which was found to be more quantitative than some existing equations such as the Stokes-Einstein and Wilke-Chang equations.
V. M. M. Lobo; D. B. Murtinho; M. H. Gil; F. P. Garcia; A. J. M. Valente
1996-01-01
An open-ended capillary cell has been developed to measure thermodynamic diffusion coefficients of electrolytes, in aqueous solution, in swelled polymeric membranes. Also a new method to determine the integral diffusion coefficient of water in membranes is presented. In this work we present a description of the methods as well as the experimental results of the diffusion coefficients of potassium chloride
Vanderkooi, J M; Wright, W W; Erecinska, M
1994-08-17
The reactivity of nitric oxide under a given condition is a complex function of its diffusivity and the concentration of reacting partners. Quenching by NO of luminescence from Ru and Pd chelates of mesoporphyrin IX, two molecules which exhibit phosphorescence at room temperature, was utilized to evaluate the gas concentration and apparent diffusion coefficients. The properties of Ru-mesoporphyrin, a dye not previously employed as a probe for O2 or NO, were determined and the assay was verified and used to quantify NO produced by decomposition of nitrosocysteine. The pseudo-second order quenching constants were obtained from Stern-Volmer plots measured under various conditions and used to calculate diffusion coefficients for nitric oxide in solutions, proteins and membranes. The diffusion coefficients were greater at 37 than at 25 degrees C and, at a given temperature, smaller in proteins and membranes than in water. The conclusion is that NO and O2 closely resemble each other in diffusivity but that NO is slightly less lipophilic, resulting in somewhat faster apparent diffusion in protein and slower diffusivity in lipid, relative to O2. Taking a mean diffusion coefficient for NO of 10(-7) cm2s-1, then within 10 s the mean path is 10(-3) cm, or less than the diameter of a single cell. However, at low NO and O2 concentrations, the halflife of NO will be considerably longer than 10 s, and consequently the path of NO diffusion much greater. PMID:8075157
Doru Constantin; Patrick Oswald
2015-04-09
We measure diffusion coefficients in the lamellar phase of the nonionic binary system C$_{12}$EO$_6$/H$_2$O using fluorescence recovery after photobleaching. The diffusion coefficient across the lamellae shows an abrupt increase upon approaching the lamellar-isotropic phase transition. We interpret this feature in terms of defects connecting the surfactant structure. An estimation of the defect density and of the variation in defect energy close to the transition is given in terms of a simple model.
NASA Astrophysics Data System (ADS)
Martinavi?ius, A.; Abrasonis, G.; Möller, W.
2011-10-01
The nitrogen diffusivity in single-crystalline AISI 316L austenitic stainless steel (ASS) during ion nitriding has been investigated at different crystal orientations ((001), (110), (111)) under variations of ion flux (0.3-0.7 mA cm-2), ion energy (0.5-1.2 keV), and temperature (370-430 °C). The nitrogen depth profiles obtained from nuclear reaction analysis are in excellent agreement with fits using the model of diffusion under the influence of traps, from which diffusion coefficients were extracted. At fixed ion energy and flux, the diffusivity varies by a factor up to 2.5 at different crystal orientations. At (100) orientation, it increases linearly with increasing ion flux or energy. The findings are discussed on the basis of atomistic mechanisms of interstitial diffusion, potential lattice distortions, local decomposition, and ion-induced lattice vibrational excitations.
Martinavicius, A.; Abrasonis, G.; Moeller, W. [Institute of Ion Beam Physics and Materials Research, Helmholtz-Zentrum Dresden-Rossendorf (HZDR), P.O. Box 510119, Dresden 01314 (Germany)
2011-10-01
The nitrogen diffusivity in single-crystalline AISI 316L austenitic stainless steel (ASS) during ion nitriding has been investigated at different crystal orientations ((001), (110), (111)) under variations of ion flux (0.3-0.7 mA cm{sup -2}), ion energy (0.5-1.2 keV), and temperature (370-430 deg. C). The nitrogen depth profiles obtained from nuclear reaction analysis are in excellent agreement with fits using the model of diffusion under the influence of traps, from which diffusion coefficients were extracted. At fixed ion energy and flux, the diffusivity varies by a factor up to 2.5 at different crystal orientations. At (100) orientation, it increases linearly with increasing ion flux or energy. The findings are discussed on the basis of atomistic mechanisms of interstitial diffusion, potential lattice distortions, local decomposition, and ion-induced lattice vibrational excitations.
A. Koliadima; J. Kapolos; L. Farmakis
2009-01-01
Reversed flow gas chromatography was applied to measure the diffusion coefficient of SO2 in water, the partition coefficient of SO2 in air–water interface, and the rate constant, kR, for chemical reaction between SO2 and water at various temperature and pH values. A linear increment of the diffusion coefficients of SO2 in water with temperature is drawn while the partition coefficients
NASA Astrophysics Data System (ADS)
Dietrich, Olaf; Hubert, Alexander; Heiland, Sabine
2014-06-01
The purpose of this study was to analyze and evaluate a model of restricted water diffusion between equidistant permeable membranes for cell-size and permeability measurements in biological tissue. Based on the known probability distribution of diffusion distances after the diffusion time ? in a system of permeable membranes characterized by three parameters (membrane permeability P, membrane distance L, and free diffusivity D0), an equivalent dimensionless model was derived with a probability distribution characterized by only a single (dimensionless) tissue parameter \\tilde{P}. Evaluating this proposed model function, the dimensionless diffusion coefficient \\tilde{D}_{eff}(\\tilde{\\tau };\\,\\tilde{P}) was numerically calculated for 60 values of the dimensionless diffusion time \\tilde{\\tau } and 35 values of \\tilde{P}. Diffusion coefficients were measured in a carrot by diffusion-weighted magnetic resonance imaging (MRI) at 18 diffusion times between 9.9 and 1022.7 ms and fitted to the simulation results \\tilde{D}_{eff}(\\tilde{\\tau };\\,\\tilde{P}) to determine L, P, and D0. The measured diffusivities followed the simulated dependence of \\tilde{D}_{eff}(\\tilde{\\tau };\\tilde{P}). Determined cell sizes varied from 21 to 76 ?m, permeabilities from 0.007 to 0.039 ?m-1, and the free diffusivities from 1354 to 1713 ?m2?s-1. In conclusion, the proposed dimensionless tissue model can be used to determine tissue parameters (D0, L, P) based on diffusion MRI with multiple diffusion times. Measurements in a carrot showed a good agreement of the cell diameter, L, determined by diffusion MRI and by light microscopy.
Collection Of Charge By Diffusion From Ion Track
NASA Technical Reports Server (NTRS)
Edmonds, Larry D.
1992-01-01
Collection of electric charge carriers from track of energetic ion through silicon electronic device studied using diffusion model representing transport of charge from ion track to sink. Effects of ionizing radiation approximated by simple equations.
Jun Zhang; Dongwei Hou; Yuan Gao; Sun Wei
2011-01-01
The moisture diffusion coefficient of concrete is critical for moisture distribution calculation in concrete members. This article aims at building an experimental model to solve the moisture transfer coefficient of early age concrete and investigating its variation law with age as well. The model is based on experimental measurements on the interior humidity of concrete specimens under fully plastic sealing
Antiferroelectric liquid crystal model with ions diffusion
P. L. del Castillo; P. L. Lucas; N. Bennis; A. Spadlo; D. Rodriguez-Perez
2006-12-27
Antiferroelectric liquid crystals can be considered as a promising alternative to nematic mixtures in the area of microdisplays. Switching behaviour of the molecules has been modelled as two adjacent smectic layers. However, some studies made so far reveal that electrooptical response can be seriously affected by ion content of the test cells, specially in the area of asymmetric cells. Regarding such influence, both molecules and ions have been studied in the present work under the influence of an external electric field. The mechanisms governing ionic behaviour considered so far in the simulations have been diffusion, which was dealt through the Nerst-Planck equation, and electrostatic interaction, which mixes ionic and antiferroelectric liquid crystal effects by means of Gauss equation. In addition, voltage pulses applied to the simulated antiferroelectric liquid crystal cell, have been considered under different waveforms for possible driving schemes in display applications. Results show time evolution of ions within the cell, under different external applied electric fields and their delocalization from alignment layers when high frequency AC pulses are included in the structure of the switching waveform.
Hielscher, Andreas
Evaluation of Fourier Transform Coefficients for The Diagnosis of Rheumatoid Arthritis From Diffuse: Diffuse Optical Tomography, Computer-Aided Diagnosis, Rheumatoid Arthritis 1. INTRODUCTION Rheumatoid arthritis (RA) is an autoimmune disorder that affects 0.5-1.0% of adults in industrialized countries
Emad Kassem; Eyad Masad; Robert Lytton; Rifat Bulut
2009-01-01
The presence of moisture in asphalt pavements detrimentally affects the bond between the aggregate and binder and the bond within the binder. The loss of these bonds leads to the deterioration of asphalt pavements. In regions with low rainfall, moisture diffusion is an important source of moisture transport in asphalt mixtures. The diffusion coefficient is a necessary input for models
Yasuhiro Hasegawa; James E. Formato; Lawrence L. Latour; Jorge A. Gutierrez; Kai-Feng Liu; Julio H. Garcia; Christopher H. Sotak; Marc Fisher
1996-01-01
BACKGROUND AND PURPOSE: The aim of this study was to determine the effects of temporary severe hypoglycemia on the apparent diffusion coefficient (ADC) acquired by diffusion-weighted MRI of brain water with the use of serial multislice ADC mapping in rats. Severe hypoglycemia reduces the extracellular space volume, as does ischemia. Demonstrating a reduction of ADC with hypoglycemia should increase our
Espanol, P.; Rubio, M.A.; Zuniga, I. Cavendish Laboratory, Cambridge University, Madingley Road CB3 0HE )
1995-01-01
We discuss the role of the dynamic Oseen tensor in setting the time scales involved in the scaling of the time-dependent self-diffusion coefficient measured by diffusing wave spectroscopy. We elucidate the paradoxical short time behavior for which scaling is observed and clarify the possible discrepancies between theory and experiments.
Some properties of the diffusion coefficient for asymmetric simple exclusion processes.
Some properties of the diffusion coefficient for asymmetric simple exclusion processes. C. Landim 1 diffusion, Green--Kubo formula, Navier-- Stokes equations Asymmetric simple exclusion processes. 1 IMPA , S. Olla 2 and H. T. Yau 3 Summary: Hydrodynamical limit of asymmetric simple exclusion processes
An alternative model for estimating liquid diffusion coefficients requiring no viscosity data
NASA Technical Reports Server (NTRS)
Morales, Wilfredo
1993-01-01
An equation, based on the free volume of a liquid solvent, was derived via dimensional analysis, to predict binary diffusion coefficients. The equation assumed that interaction between the solute and liquid solvent molecules followed a Lennard-Jones potential. The equation was compared to other diffusivity equations and was found to give good results over the temperature range examined.
NITRIC ACID-AIR DIFFUSION COEFFICIENT: EXPERIMENTAL DETERMINATION
Trace gaseous HNO3 in air is removed in a laminar flow nylon tube. The HNO3 deposition pattern was obtained by sectioning the tube, extracting with an aqueous solution, and measuring the concentration by ion chromatography. Mass transport analysis of the deposition pattern demons...
Calculation of the coefficient and dynamics of water diffusion in graphite joints
NASA Astrophysics Data System (ADS)
Wang, Jun; Liu, Wen-Bin
2006-06-01
The coefficient and dynamics of water diffusion in adhesive-graphite joints were calculated insitu with energy dispersive X-ray (EDX) analysis, a method that is significantly simpler than elemental analysis. Water diffusion coefficient and dynamics of adhesive-graphite joints treated by different surface treatment menthods were also investigated. Calculation results indicated that the water diffusion rate in adhesive-graphite joints treated by sandpaper was higher than that treated by chemical oxidation or by silane couple agent. Also the durability of graphite joints treated by coupling agent is superior to that treated by chemical oxidation or sandpaper burnishing.
Temperature-Dependent Diffusion Coefficients from ab initio Computations: Hydrogen in Nickel
E Wimmer; W Wolf; J Sticht; P Saxe; C Geller; R Najafabadi; G Young
2006-03-16
The temperature-dependent mass diffusion coefficient is computed using transition state theory. Ab initio supercell phonon calculations of the entire system provide the attempt frequency, the activation enthalpy, and the activation entropy as a function of temperature. Effects due to thermal lattice expansion are included and found to be significant. Numerical results for the case of hydrogen in nickel demonstrate a strong temperature dependence of the migration enthalpy and entropy. Trapping in local minima along the diffusion path has a pronounced effect especially at low temperatures. The computed diffusion coefficients with and without trapping bracket the available experimental values over the entire temperature range between 0 and 1400 K.
Temperature dependence of diffusion coefficient of nitrogen gas in water: A molecular dynamics study
NASA Astrophysics Data System (ADS)
Sharma, Keshav; Adhikari, Narayan P.
2014-04-01
We have carried out the molecular dynamics (MD) simulation to study the structural properties and to estimate the diffusivity of molecular nitrogen (N2) gas (solute) in extended simple point charge model (SPC/E) water (solvent) with N2 mole fraction of 0.018 at different temperatures. For the structural properties of the system, we have determined radial distribution function (RDF). The solute-solute, solute-solvent and solvent-solvent RDF have been evaluated. Self-diffusion coefficient of N2 was estimated by evaluating mean-squared displacement (MSD) and velocity autocorrelation function (VACF) separately. The diffusion coefficients obtained from the two methods agree within 3%. The results are in agreement with the experimentally determined values within 10%. The self-diffusion coefficient of water (H2O) was also estimated by evaluating MSD. Mutual diffusion coefficient of the system have also been estimated invoking Darken's relation. The temperature dependance of the diffusion coefficients were found to follow Arrhenius relation.
Ku?ba, Jósef; Li, Li; Gryczynski, Ignacy; Piszczek, Grzegorz; Johnson, Michael; Lakowicz, Joseph R
2002-01-01
We describe measurements of lateral diffusion in membranes using resonance energy transfer. The donor was a rhenium (Re) metal-ligand complex lipid, which displays a donor decay time near 3 micros. The long donor lifetime resulted in an ability to measure lateral diffusion coefficient below 10(-8) cm(2)/s. The donor decay data were analyzed using a new numerical algorithm for calculation of resonance energy transfer for donors and acceptors randomly distributed in two dimensions. An analytical solution to the diffusion equation in two dimensions is not known, so the equation was solved by the relaxation method in Laplace space. This algorithm allows the donor decay in the absence of energy transfer to be multiexponential. The simulations show that mutual lateral diffusion coefficients of the donor and acceptor on the order of 10(-8) cm(2)/s are readily recovered from the frequency-domain data with donor decay times on the microsecond timescale. Importantly, the lateral diffusion coefficients and acceptor concentrations can be recovered independently despite correlation between these parameters. This algorithm was tested and verified using the donor decays of a long lifetime rhenium lipid donor and a Texas red-lipid acceptor. Lateral diffusion coefficients ranged from 4.4 x 10(-9) cm(2)/s in 1,2-dimyristoyl-sn-glycero-3-[phospho-rac-(1-glycerol)] (DMPG) at 10 degrees C to 1.7 x 10(-7) cm(2)/s in 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC) at 35 degrees C. These results demonstrated the possibility of direct measurements of lateral diffusion coefficients using microsecond decay time luminophores. PMID:11867452
NASA Astrophysics Data System (ADS)
Yang, Linlin; Sun, Hai; Fu, Xudong; Wang, Suli; Jiang, Luhua; Sun, Gongquan
2014-07-01
A novel method for measuring effective diffusion coefficient of porous materials is developed. The oxygen concentration gradient is established by an air-breathing proton exchange membrane fuel cell (PEMFC). The porous sample is set in a sample holder located in the cathode plate of the PEMFC. At a given oxygen flux, the effective diffusion coefficients are related to the difference of oxygen concentration across the samples, which can be correlated with the differences of the output voltage of the PEMFC with and without inserting the sample in the cathode plate. Compared to the conventional electrical conductivity method, this method is more reliable for measuring non-wetting samples.
Hong Zhao; Arne J. Pearlstein
2002-01-01
Based on a closed surface of triangles fitted to atomic coordinates determined crystallographically, Brune and Kim [Proc. Natl. Acad. Sci. USA 90, 3835-3839 (1993)] proposed a boundary-element Stokes-flow technique for ab initio computation of a translational diffusion coefficient and the rotational diffusion tensor Dr of globular proteins. They applied their approach to atomic coordinates for a tetragonal structure of hen
Hiroaki Tanaka; Sachiko Takahashi; Mari Yamanaka; Izumi Yoshizaki; Masaru Sato; Satoshi Sano; Moritoshi Motohara; Tomoyuki Kobayashi; Susumu Yoshitomi; Tetsuo Tanaka; Seijiro Fukuyama
2006-01-01
The diffusion coefficients of lysozyme and alpha-amylase were measured in the various polyethylene glycol (PEG) solutions.\\u000a Obtained diffusion coefficients were studied with the viscosity coefficient of the solution. It was found that the diffusion\\u000a process of the protein was suppressed with a factor of v?, where ? is a relative viscosity coefficient of the PEG solution. The value of ?
Eddy diffusion coefficients and their upper limits based on application of the similarity theory
NASA Astrophysics Data System (ADS)
Vlasov, M. N.; Kelley, M. C.
2015-07-01
The equation for the diffusion velocity in the mesosphere and the lower thermosphere (MLT) includes the terms for molecular and eddy diffusion. These terms are very similar. For the first time, we show that, by using the similarity theory, the same formula can be obtained for the eddy diffusion coefficient as the commonly used formula derived by Weinstock (1981). The latter was obtained by taking, as a basis, the integral function for diffusion derived by Taylor (1921) and the three-dimensional Kolmogorov kinetic energy spectrum. The exact identity of both formulas means that the eddy diffusion and heat transport coefficients used in the equations, both for diffusion and thermal conductivity, must meet a criterion that restricts the outer eddy scale to being much less than the scale height of the atmosphere. This requirement is the same as the requirement that the free path of molecules must be much smaller than the scale height of the atmosphere. A further result of this criterion is that the eddy diffusion coefficients Ked, inferred from measurements of energy dissipation rates, cannot exceed the maximum value of 3.2 × 106 cm2 s-1 for the maximum value of the energy dissipation rate of 2 W kg-1 measured in the mesosphere and the lower thermosphere (MLT). This means that eddy diffusion coefficients larger than the maximum value correspond to eddies with outer scales so large that it is impossible to use these coefficients in eddy diffusion and eddy heat transport equations. The application of this criterion to the different experimental data shows that some reported eddy diffusion coefficients do not meet this criterion. For example, the large values of these coefficients (1 × 107 cm2 s-1) estimated in the Turbulent Oxygen Mixing Experiment (TOMEX) do not correspond to this criterion. The Ked values inferred at high latitudes by Lübken (1997) meet this criterion for summer and winter polar data, but the Ked values for summer at low latitudes are larger than the Ked maximum value corresponding to the criterion. Analysis of the experimental data on meteor train observations shows that energy dissipation with a small rate of about 0.2 W kg-1 sometimes can induce turbulence with eddy scales very close to the scale height of the atmosphere. Our results also explain the discrepancy between the large cooling rates calculated by Vlasov and Kelley (2014) and the temperatures given by the MSIS-E-90 model because, in these cases, the measured eddy diffusion coefficients used in calculating the cooling rates are larger than the maximum value presented above.
Buffie, K.; Shalchi, A.; Heesen, V. E-mail: v.heesen@soton.ac.uk
2013-02-10
Diffusion coefficients are usually used to describe the propagation of cosmic rays through the universe. Whereas such transport parameters can be obtained from experiments in the solar system, it is difficult to determine diffusion coefficients in the Milky Way or in external galaxies. Recently, a value for the perpendicular diffusion coefficient in the nearby starburst galaxy NGC 253 has been proposed. In the present paper, we reproduce this value theoretically by using an advanced analytical theory for perpendicular diffusion.
Solvable Examples of Drift and Diffusion of Ions in Non-uniform Electric Fields
Cahn, Robert; Cahn, Robert N.; Jackson, John David
2008-05-30
The drift and diffusion of a cloud of ions in a fluid are distorted by an inhomogeneous electric field. If the electric field carries the center of the distribution in a straight line and the field configuration is suitably symmetric, the distortion can be calculated analytically. We examine the specific examples of fields with cylindrical and spherical symmetry in detail assuming the ion distributions to be of a generally Gaussian form. The effects of differing diffusion coefficients in the transverse and longitudinal directions are included.
Balch, J; Guéguen, C
2015-01-01
In situ measurements of labile metal species using diffusive gradients in thin films (DGT) passive samplers are based on the diffusion rates of individual species. Although most studies have dealt with chemically isolated humic substances, the diffusion of dissolved organic matter (DOM) across the hydrogel is not well understood. In this study, the diffusion coefficient (D) and molecular weight (MW) of 11 aquatic DOM and 4 humic substances (HS) were determined. Natural, unaltered aquatic DOM was capable of diffusing across the diffusive gel membrane with D values ranging from 2.48×10(-6) to 5.31×10(-6) cm(2) s(-1). Humic substances had diffusion coefficient values ranging from 3.48×10(-6) to 6.05×10(-6) cm(2) s(-1), congruent with previous studies. Molecular weight of aquatic DOM and HS samples (?500-1750 Da) measured using asymmetrical flow field-flow fractionation (AF4) strongly influenced D, with larger molecular weight DOM having lower D values. No noticeable changes in DOM size properties were observed during the diffusion process, suggesting that DOM remains intact following diffusion across the diffusive gel. The influence of molecular weight on DOM mobility will assist in further understanding and development of the DGT technique and the uptake and mobility of contaminants associated with DOM in aquatic environments. PMID:25112575
Harris, Kenneth R; Kanakubo, Mitsuhiro
2015-10-01
Ion self-diffusion coefficients (DSi) have been measured for the ionic liquid 1-butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)amide [BMIM][Tf2N] at pressures to 200 MPa between 25 and 75 °C and at 0.1 MPa between 10 and 90 °C. Self-diffusion coefficients are reported for 1-ethyl-, 1-hexyl- and 1-octyl-3-methylimidazolium bis(trifluoromethanesulfonyl)amide salts at 0.1 MPa, supplemented by viscosity, electrical conductivity and density measurements. Velocity cross-correlation (VCC, fij) and distinct diffusion coefficients (D) are calculated from the data. Both DSi and D are analysed in terms of (fractional) Stokes-Einstein-Sutherland (SES) equations. SES and Walden plots show almost identical slopes, with high-pressure isotherms and the atmospheric pressure isobar falling on common, single lines for each property for [BMIM][Tf2N]. SES plots for the anion self-diffusion coefficients for the [RMIM][Tf2N] (R = alkyl) series are coincident, whereas those for the cations depend on their alkyl substitution, as do the Walden plots. In common with other [Tf2N](-) salts, the VCC follow the order f-- < f++ < f+-. The Nernst-Einstein deviation parameter ? for [BMIM][Tf2N] is independent of temperature and pressure. Those for the other [Tf2N](-) salts are independent of temperature. ? increases in magnitude with increasing alkyl chain length on the cation. The transport properties of [BMIM][Tf2N] are re-examined in terms of density scaling using reduced conductivities and reduced molar conductivities for the first time. Identical scaling parameters (?) are obtained for the several reduced transport properties. This result is supported by data for other ionic liquids. It is suggested that the ? for ionic liquids may depend on packing fraction. PMID:26313817
Kim, Boeun; Yi, Kangjae; Jung, Sunyoung; Ji, Seoyeon; Choi, Mincheol
2014-01-01
Diffusion-weighted imaging (DWI) and apparent diffusion coefficient (ADC) mapping are functional magnetic resonance imaging techniques for detecting water diffusion. DWI and the ADC map were performed for intracranial lesions in two dogs. In necrotizing leukoencephalitis, cavitated lesions contained a hypointense center with a hyperintense periphery on DWI, and hyperintense signals on the ADC maps. In metastatic sarcoma, masses including a necrotic region were hypointense with DWI, and hyperintense on the ADC map with hyperintense perilesional edema on DWI and ADC map. Since DWI and ADC data reflect the altered water diffusion, they can provide additional information at the molecular level. PMID:24675836
Rescaling of diffusion coefficients in two-time scale chemical systems
NASA Astrophysics Data System (ADS)
Strier, Damián E.; Ponce Dawson, Silvina
2000-01-01
We study reaction-diffusion systems which involve processes that occur on different time scales. In particular, we apply a multiscale analysis to obtain a reduced description of the slow dynamics. Under certain assumptions this reduction yields a new set of reaction-diffusion equations with rescaled diffusion coefficients. We analyze the Selkov model [E. E. Selkov, Eur. J. Biochem. 4, 79 (1968)] and the ferrocyanide-iodide-sulfite reaction [E. C. Edblom et al., J. Am. Chem. Soc. 108, 2826 (1986)] to determine whether the rescaling in this case may account for the difference of diffusivities that the formation of certain types of patterns requires.
NASA Astrophysics Data System (ADS)
Liu, Xiaoyu; Guo, Zhishi; Roache, Nancy F.
2014-06-01
The solid-phase diffusion coefficient (Dm) and material/air partition coefficient (Kma) are key parameters for characterizing the sources and transport of semivolatile organic compounds (SVOCs) in the indoor environment. In this work, a new experimental method was developed to estimate parameters Dm and Kma. The SVOCs chosen for study were polychlorinated biphenyl (PCB) congeners, including PCB-52, PCB-66, PCB-101, PCB-110, and PCB-118. The test materials included polypropylene, high density polyethylene, low density polyethylene, polytetrafluoroethylene, polyether ether ketone, glass, stainless steel and concrete. Two 53-L environmental chambers were connected in series, with the relatively stable SVOCs source in the source chamber and the test materials, made as small “buttons”, in the test chamber. Prior to loading the test chamber with the test materials, the test chamber had been dosed with SVOCs for 12 days to “coat” the chamber walls. During the tests, the material buttons were removed from the test chamber at different exposure times to determine the amount of SVOC absorbed by the buttons. SVOC concentrations at the inlet and outlet of the test chamber were also monitored. The data were used to estimate the partition and diffusion coefficients by fitting a sink model to the experimental data. The parameters obtained were employed to predict the accumulation of SVOCs in the sink materials using an existing mass transfer model. The model prediction agreed reasonably well with the experimental data.
2014-01-01
Background Support vector regression (SVR) and Gaussian process regression (GPR) were used for the analysis of electroanalytical experimental data to estimate diffusion coefficients. Results For simulated cyclic voltammograms based on the EC, Eqr, and EqrC mechanisms these regression algorithms in combination with nonlinear kernel/covariance functions yielded diffusion coefficients with higher accuracy as compared to the standard approach of calculating diffusion coefficients relying on the Nicholson-Shain equation. The level of accuracy achieved by SVR and GPR is virtually independent of the rate constants governing the respective reaction steps. Further, the reduction of high-dimensional voltammetric signals by manual selection of typical voltammetric peak features decreased the performance of both regression algorithms compared to a reduction by downsampling or principal component analysis. After training on simulated data sets, diffusion coefficients were estimated by the regression algorithms for experimental data comprising voltammetric signals for three organometallic complexes. Conclusions Estimated diffusion coefficients closely matched the values determined by the parameter fitting method, but reduced the required computational time considerably for one of the reaction mechanisms. The automated processing of voltammograms according to the regression algorithms yields better results than the conventional analysis of peak-related data. PMID:24987463
He, M G; Zhang, S; Zhang, Y; Peng, S G
2015-05-01
As for the measurement of diffusion coefficient in transparent liquids by digital holographic interferometry, there are many kinds depending on the mathematical model and experimental setup. The method of using the distance of the peaks in concentration difference profile to determine diffusion coefficient by Mach-Zehnder interferometric experimental setup, is easy to handle. In order to improve the accuracy and convenience of measurement in this method, we combine procedures of hologram analysis used by Mialdun et al (2011) and those by He et al (2009). By using polynomial to fit the continuous phase difference (interference phase) of object beam, it can be more convenient and accurate to determine the distance between the two peaks. Besides, the shift of initial time has been discussed as a separated topic at the first time and two functions for minimization have been given for determination of the initial time in this paper. With the development, diffusion coefficient of KCl in water at 0.33mol/L and 25 °C has been measured. The diffusion coefficient is 1.844 × 10(-9) m2/s with the uncertainty of ± 0.012 × 10(-9) m2/s. Our measurement has more similar result with other methods than holographic interferometry. The relative uncertainty of diffusion coefficient in our experiment is less than 1% and total uncertainty of temperature is within ± 0.04 K. PMID:25969184
Theoretical evaluation of diffusion coefficients of (Al2O3)n clusters in different bath gases
NASA Astrophysics Data System (ADS)
Sharipov, Alexander S.; Loukhovitski, Boris I.; Tsai, Chuen-Jinn; Starik, Alexander M.
2014-04-01
The binary diffusion coefficients of two low lying isomers of (Al2O3) n , n = 1...4, clusters in different bath gases, that most frequently met in the nature and in the technical applications: H2, N2, O2, CO, H2O as well as their self-diffusion coefficients have been calculated on the basis of kinetic theory and dipole reduced formalism. The parameters of interaction potential have been determined taking into account the contributions of a dispersion, dipole-dipole and dipole-induced dipole interactions between alumina clusters and bath molecules. The dipole moments, polarizabilities and collision diameters of clusters have been obtained by using quantum chemical calculations of cluster structure. The approximations for temperature dependencies of diffusion coefficients for two low-lying isomers of each considered alumina clusters are reported. It is demonstrated that an account for the contributions of the second for each type of clusters does not affect substantially the value of net diffusion coefficient. The diffusion coefficients of the isomers of small (Al2O3) n clusters can differ notably in the case when their dipole moments are distinct and they interact with strongly dipole molecules.
Radon diffusion coefficients in 360 waterproof materials of different chemical composition.
Jiránek, M; Kotrbatá, M
2011-05-01
This paper summarises the results of radon diffusion coefficient measurements in 360 common waterproof materials available throughout Europe. The materials were grouped into 26 categories according to their chemical composition. It was found that the diffusion coefficients of materials used for protecting houses against radon vary within eight orders from 10(-15) to 10(-8) m(2) s(-1). The lowest values were obtained for bitumen membranes with an Al carrier film and for ethylene vinyl acetate membranes. The highest radon diffusion coefficient values were discovered for sodium bentonite membranes, rubber membranes made of ethylene propylene diene monomer and polymer cement coatings. The radon diffusion coefficients for waterproofings widely used for protecting houses, i.e. flexible polyvinyl chloride, high-, low-density polyethylene, polypropylene and bitumen membranes, vary in the range from 3 × 10(-12) to 3 × 10(-11) m(2) s(-1). Tests were performed which confirmed that the radon diffusion coefficient is also an effective tool for verifying the air-tightness of joints. PMID:21450700
A study of Li-ion diffusion kinetics in the fullerene-coated Si anodes of lithium ion batteries
NASA Astrophysics Data System (ADS)
Arie, Arenst Andreas; Lee, Joong Kee
2010-05-01
The diffusion coefficient of lithium ions in fullerene-coated silicon thin film electrodes, prepared by the plasma-assisted deposition technique, was estimated by a specific electrochemical measurement known as cyclic voltammetry (CV) and then compared with that of a bare silicon film used as the anode in lithium ion batteries. Based on our experimental range, the diffusion coefficient of the fullerene-coated Si thin film was found to be ~10-9 cm2 s-1 or two orders of magnitude higher than that of the bare Si thin film (~1011 cm2 s-1). It can be concluded that the fullerene film acts as an artificial solid electrolyte interphase (SEI) layer during charging-discharging tests.
NASA Technical Reports Server (NTRS)
Edmonds, L. D.
1996-01-01
Charge collected by diffusion from ion tracks in a semiconductor substrate may be influenced by the substrate diffusion length, which is related to recombination losses. A theoretical analysis shows that, excluding some extreme cases, charge collection is insensitive to spatial variations in the diffusion length funciton, so it is possible to define an effective diffusion length having the property that collected charge can be approximated by assuming a uniform diffusion length equal to this effective value.
NASA Astrophysics Data System (ADS)
Pedersen, Torje V.; Olsen, Dag R.; Skretting, Arne
1997-08-01
A method has been developed to determine the diffusion coefficients of ferric ions in ferrous sulphate doped gels. A radiation induced edge was created in the gel, and two spin-echo sequences were used to acquire a pair of images of the gel at different points of time. For each of these image pairs, a longitudinal relaxation rate image was derived. From profiles through these images, the standard deviations of the Gaussian functions that characterize diffusion were determined. These data provided the basis for the determination of the ferric diffusion coefficients by two different methods. Simulations indicate that the use of single spin-echo images in this procedure may in some cases lead to a significant underestimation of the diffusion coefficient. The technique was applied to different agarose and gelatine gels that were prepared, irradiated and imaged simultaneously. The results indicate that the diffusion coefficient is lower in a gelatine gel than in an agarose gel. Addition of xylenol orange to a gelatine gel lowers the diffusion coefficient from 1.45 to , at the cost of significantly lower sensitivity. The addition of benzoic acid to the latter gel did not increase the sensitivity.
Electro-diffusion in a plasma with two ion species
Kagan, Grigory; Tang Xianzhu [Theoretical Division Los Alamos National Laboratory Los Alamos, New Mexico 87545 (United States)
2012-08-15
Electric field is a thermodynamic force that can drive collisional inter-ion-species transport in a multicomponent plasma. In an inertial confinement fusion capsule, such transport causes fuel ion separation even with a target initially prepared to have equal number densities for the two fuel ion species. Unlike the baro-diffusion driven by ion pressure gradient and the thermo-diffusion driven by ion and electron temperature gradients, electro-diffusion has a critical dependence on the charge-to-mass ratio of the ion species. Specifically, it is shown here that electro-diffusion vanishes if the ion species have the same charge-to-mass ratio. An explicit expression for the electro-diffusion ratio is obtained and used to investigate the relative importance of electro- and baro-diffusion mechanisms. In particular, it is found that electro-diffusion reinforces baro-diffusion in the deuterium and tritium mix, but tends to cancel it in the deuterium and helium-3 mix.
Electro-diffusion in a plasma with two ion species
NASA Astrophysics Data System (ADS)
Kagan, Grigory; Tang, Xian-Zhu
2012-08-01
Electric field is a thermodynamic force that can drive collisional inter-ion-species transport in a multicomponent plasma. In an inertial confinement fusion capsule, such transport causes fuel ion separation even with a target initially prepared to have equal number densities for the two fuel ion species. Unlike the baro-diffusion driven by ion pressure gradient and the thermo-diffusion driven by ion and electron temperature gradients, electro-diffusion has a critical dependence on the charge-to-mass ratio of the ion species. Specifically, it is shown here that electro-diffusion vanishes if the ion species have the same charge-to-mass ratio. An explicit expression for the electro-diffusion ratio is obtained and used to investigate the relative importance of electro- and baro-diffusion mechanisms. In particular, it is found that electro-diffusion reinforces baro-diffusion in the deuterium and tritium mix, but tends to cancel it in the deuterium and helium-3 mix.
Haghighat, F; Lee, C S; Ghaly, W S
2002-06-01
The measurement and prediction of building material emission rates have been the subject of intensive research over the past decade, resulting in the development of advanced sensory and chemical analysis measurement techniques as well as the development of analytical and numerical models. One of the important input parameters for these models is the diffusion coefficient. Several experimental techniques have been applied to estimate the diffusion coefficient. An extensive literature review of the techniques used to measure this coefficient was carried out, for building materials exposed to volatile organic compounds (VOC). This paper reviews these techniques; it also analyses the results and discusses the possible causes of difference in the reported data. It was noted that the discrepancy between the different results was mainly because of the assumptions made in and the techniques used to analyze the data. For a given technique, the results show that there can be a difference of up to 700% in the reported data. Moreover, the paper proposes what is referred to as the mass exchanger method, to calculate diffusion coefficients considering both diffusion and convection. The results obtained by this mass exchanger method were compared with those obtained by the existing method considering only diffusion. It was demonstrated that, for porous materials, the convection resistance could not be ignored when compared with the diffusion resistance. PMID:12216471
Estimation of radon diffusion coefficients in soil using an updated experimental system
NASA Astrophysics Data System (ADS)
Prasad, Ganesh; Ishikawa, Tetsuo; Hosoda, Masahiro; Sorimachi, Atsuyuki; Janik, Miroslaw; Sahoo, Sarata Kumar; Tokonami, Shinji; Uchida, Shigeo
2012-09-01
Radon diffusion through soil is strongly affected by the degree of water saturation of the soil pores. Methods have been developed by many researchers to measure radon diffusion coefficient. We developed an updated experimental system to estimate radon diffusion coefficients for typical types of soil in Japan and applied it to a typical loam with different water saturation levels (0-0.82). The system consists of a passive-type scintillation cell, soil column, accumulation tank, and radon source. The radon concentration in the accumulation tank is kept stable, and radon diffused through the soil column is continuously measured with the passive-type scintillation cell. We found the radon diffusion coefficients vary from 9.60 × 10-6 m2 s-1 to 1.27 × 10-7 m2 s-1 for the loam samples. Generally, the diffusion coefficients are almost constant for a water saturation range of 0-0.4 and decrease with increasing water saturation from 0.4 to 0.82.
On The Anomalous Fast Ion Energy Diffusion in Toroidal Plasmas Due to Cavity Modes
N.N. Gorelenkov, N.J. Fisch and E. Fredrickson
2010-03-09
An enormous wave-particle diffusion coefficient along paths suitable for alpha channeling had been deduced in mode converted ion Bernstein wave experiments on Tokamak Fusion Test Reactor (TFTR) the only plausible explanation advanced for such a large diffusion coefficient was the excitation of internal cavity modes which induce particle diffusion along identical diffusion paths, but at much higher rates. Although such a mode was conjectured, it was never observed. However, recent detailed observations of high frequency compressional Alfven eigenmodes (CAEs) on the National Spherical torus Experiment (NSTX) indirectly support the existence of the related conjectured modes on TFTR. The eigenmodes responsible for the high frequency magnetic activity can be identified as CAEs through the polarization of the observed magnetic field oscillations in NSTX and through a comparison with the theoretically derived freuency dispersion relation. Here, we show how these recent observations of high frequency CAEs lend support to this explanation of the long-standing puzzle of anomalous fast ion energy diffusion on TFTR. The support of the conjecure that these internal modes could have caused the remarkable ion energy diffusion on TFTR carries significant and favorable implications for the possibilities in achieving the alpha channeling effect with small injected power in a tokamak reactor.
NASA Astrophysics Data System (ADS)
van Berkel, M.; Zwart, H. J.; Hogeweij, G. M. D.; Vandersteen, G.; van den Brand, H.; de Baar, M. R.; the ASDEX Upgrade Team
2014-10-01
In this paper, the estimation of the thermal diffusivity from perturbative experiments in fusion plasmas is discussed. The measurements used to estimate the thermal diffusivity suffer from stochastic noise. Accurate estimation of the thermal diffusivity should take this into account. It will be shown that formulas found in the literature often result in a thermal diffusivity that has a bias (a difference between the estimated value and the actual value that remains even if more measurements are added) or have an unnecessarily large uncertainty. This will be shown by modeling a plasma using only diffusion as heat transport mechanism and measurement noise based on ASDEX Upgrade measurements. The Fourier coefficients of a temperature perturbation will exhibit noise from the circular complex normal distribution (CCND). Based on Fourier coefficients distributed according to a CCND, it is shown that the resulting probability density function of the thermal diffusivity is an inverse non-central chi-squared distribution. The thermal diffusivity that is found by sampling this distribution will always be biased, and averaging of multiple estimated diffusivities will not necessarily improve the estimation. Confidence bounds are constructed to illustrate the uncertainty in the diffusivity using several formulas that are equivalent in the noiseless case. Finally, a different method of averaging, that reduces the uncertainty significantly, is suggested. The methodology is also extended to the case where damping is included, and it is explained how to include the cylindrical geometry.
NASA Astrophysics Data System (ADS)
Szuta, Marcin
1994-06-01
In the present work it is assumed that gas in an intermediate state exists side by side with the diffusing gas, the dissolved fission gas and that trapped in bubbles. The dissolved fission gas is immobile-attached to defects in the lattice caused by irradiation damage and the diffusing gas behaves according to the rules of classical diffusion. As a result of an analysis of the physical phenomena connected with fission gas release from the UO 2 fuel during irradiation, it is shown that up to a certain value of fission fluence the concentrations of intermediate gas and diffusing gas dominates. Above this limiting value a more intensive process of irradiation-induced solution occurs until the diffusion of single gas atoms is insignificant. This means that diffusion of the rare gases is negligible in the presence of diffusion of bubbles for high fission damage (10 18fissions/ cm3). On the basis of this analysis there is found an expression for the apparent diffusion coefficient versus fission fluence. The dependence of the apparent diffusion coefficient on the fission rate and the decay constant of the isotopes is also interpreted.
Safe positive temperature coefficient composite cathode for lithium ion battery
NASA Astrophysics Data System (ADS)
Zhong, Hai; Kong, Chan; Zhan, Hui; Zhan, Caimao; Zhou, Yunhong
2012-10-01
Ethylene vinyl acetate (EVA) based positive temperature coefficient (PTC) material with a transition temperature (Tc) of 90 °C is proposed and successfully fabricated in this study. It is further introduced into LiFePO4 cathode by directly mixing it with LiFePO4 powder, binder and conductive carbon or sandwiching it between the current collector and LiFePO4 electrode membrane. Thus obtained LiFePO4/PTC composite electrodes both show a self-current-limiting effect at 90 °C. The electrochemical properties of the LiFePO4/PTC composite electrodes are determined in terms of galvanostatic charging/discharging, cyclic voltammograms and electrochemical impedance spectroscopy measurements. Comparing with bare LiFePO4 electrode, both LiFePO4/PTC composite electrodes show no degradation in cycling stability, rate capability and electrochemical kinetic property at room temperature. The results indicate that the proposed LiFePO4/PTC composite electrode with the suitable Tc of 90 °C can effectively prevent thermal runaway before the occurrence of side reactions and better protect lithium ion battery during the abnormal temperature increasing.
Boving, T B; Grathwohl, P
2001-12-01
Matrix diffusion is an important transport process in geologic materials of low hydraulic conductivity. For predicting the fate and transport of contaminants, a detailed understanding of the diffusion processes in natural porous media is essential. In this study, diffusive tracer transport (iodide) was investigated in a variety of geologically different limestone and sandstone rocks. Porosity, structural and mineralogical composition, hydraulic conductivity, and other rock properties were determined. The effective diffusion coefficients were measured using the time-lag method. The results of the diffusion experiments indicate that there is a close relationship between total porosity and the effective diffusion coefficient of a rock (analogous to Archie's Law). Consequently, the tortousity factor can be expressed as a function of total porosity. The relationship fits best for thicker samples (> 1.0 cm) with high porosities (> 20%), because of the reduced influence of heterogeneity in larger samples. In general, these correlations appear to be a simple way to determine tortuosity and the effective diffusion coefficient from easy to determine rock porosity values. PMID:11816996
Simultaneous estimation of effective and apparent diffusion coefficients in compacted bentonite.
Cormenzana, José Luis; García-Gutiérrez, Miguel; Missana, Tiziana; Junghanns, Alvaro
2003-03-01
Effective diffusion coefficients (D(e)) are usually measured by means of "through-diffusion" experiments in which steady state is reached, and the "time-lag" methods are used to estimate the apparent diffusion coefficient (D(a)). For sorbing radionuclides (as caesium), the time needed to reach steady-state conditions is very large, and the precision in D(a) determinations is not satisfactory. In this paper, a method that allows determining simultaneously effective and apparent diffusion coefficients in compacted bentonite without reaching steady-state conditions is described. Basically, this method consists of an "in-diffusion" experiment in which the concentration profile in the bentonite sample is used to estimate D(a), and the temporal evolution of the solute concentration in the reservoir is used to estimate D(e). This method has several advantages over the typical "through-diffusion" experiments, in particular: (a) experiment duration is significantly shorter, (b) D(a) values are measured with greater precision and (c) it is not necessary to maintain a constant solute concentration in the reservoir. This new method has been used to estimate the effective and apparent diffusion coefficients for caesium in FEBEX bentonite and in order to validate it, the results have been compared with results previously obtained with standard methods. Experimental results have been satisfactorily modelled using a simple model of diffusion in porewater and the measured value of D(e)(Cs) is very similar to D(e)(HTO) in the same bentonite. There is no evidence of "surface diffusion" in FEBEX bentonite for caesium. PMID:12598094
NASA Astrophysics Data System (ADS)
Marquardt, Katharina; Dohmen, Ralf; Wagner, Johannes
2014-05-01
Diffusion along interface and grain boundaries provides an efficient pathway and may control chemical transport in rocks as well as their mechanical strength. Besides the significant relevance of these diffusion processes for various geologic processes, experimental data are still very limited (e.g., Dohmen & Milke, 2010). Most of these data were measured using polycrystalline materials and the formalism of LeClaire (1951) to fit integrated concentration depth profiles. To correctly apply this formalism, certain boundary conditions of the diffusion problem need to be fulfilled, e.g., surface diffusion is ignored, and furthermore the lattice diffusion coefficient has to be known from other studies or is an additional fitting parameter, which produces some ambiguity in the derived grain boundary diffusion coefficients. We developed an experimental setup where we can measure the lattice and grain boundary diffusion coefficients simultaneously but independent and demonstrate the relevance of surface diffusion for typical grain boundary diffusion experiments. We performed Mg2SiO4 bicrystal diffusion experiments, where a single grain boundary is covered by a thin-film of pure Ni2SiO4 acting as diffusant source, produced by pulsed laser deposition. The investigated grain boundary is a 60° (011)/[100]. This specific grain boundary configuration was modeled using molecular dynamics for comparison with the experimental observations in the transmission electron microscope (TEM). Both, experiment and model are in good agreement regarding the misorientation, whereas there are still some disagreements regarding the strain fields along the grain boundary that are of outmost importance for the strengths of the material. The subsequent diffusion experiments were carried out in the temperature range between 800° and 1450° C. The inter diffusion profiles were measured using the TEMs energy dispersive x-ray spectrometer standardized using the Cliff-Lorimer equation and EMPA measurements. To evaluate the obtained diffusion profiles we adapted the isolated grain boundary model, first proposed by Fisher (1951) to match several observations: (i) Anisotropic diffusion in forsterite, (ii) fast diffusion along the grain boundary, (iii) fast diffusion on the surface of the sample. The latter process is needed to explain an additional flux of material from the surface into the grain boundary. Surface and grain boundary diffusion coefficients are on the order of 10000 times faster than diffusion in the lattice. Another observation was that in some regions the diffusion profiles in the lattice were greatly extended. TEM observations suggest here that surface defects (nano-cracks, ect.) have been present, which apparently enhanced the diffusion through the bulk lattice. Dohmen, R., & Milke, R. (2010). Diffusion in Polycrystalline Materials: Grain Boundaries, Mathematical Models, and Experimental Data. Reviews in Mineralogy and Geochemistry, 72(1), 921-970. Fisher, J. C. (1951). Calculations of Diffusion Penetration Curves for Surface and Grain Boundary Diffusion. Journal of Applied Physics, 22(1), 74-77. Le Claire, A. D. (1951). Grain boundary diffusion in metals. Philosophical Magazine A, 42(328), 468-474.
Importance of diffuse metal ion binding to RNA.
Tan, Zhi-Jie; Chen, Shi-Jie
2011-01-01
RNAs are highly charged polyanionic molecules. RNA structure and function are strongly correlated with the ionic condition of the solution. The primary focus of this article is on the role of diffusive ions in RNA folding. Due to the long-range nature of electrostatic interactions, the diffuse ions can contribute significantly to RNA structural stability and folding kinetics. We present an overview of the experimental findings as well as the theoretical developments on the diffuse ion effects in RNA folding. This review places heavy emphasis on the effect of magnesium ions. Magnesium ions play a highly efficient role in stabilizing RNA tertiary structures and promoting tertiary structural folding. The highly efficient role goes beyond the mean-field effect such as the ionic strength. In addition to the effects of specific ion binding and ion dehydration, ion-ion correlation for the diffuse ions can contribute to the efficient role of the multivalent ions such as the magnesium ions in RNA folding. PMID:22010269
Tsapalov, Andrey; Gulabyants, Loren; Livshits, Mihail; Kovler, Konstantin
2014-04-01
The mathematical apparatus and the experimental installation for the rapid determination of radon diffusion coefficient in various materials are developed. The single test lasts not longer than 18 h and allows testing numerous materials, such as gaseous and liquid media, as well as soil, concrete and radon-proof membranes, in which diffusion coefficient of radon may vary in an extremely wide range, from 1·10(-12) to 5·10(-5) m(2)/s. The uncertainty of radon diffusion coefficient estimation depends on the permeability of the sample and varies from about 5% (for the most permeable materials) to 40% (for less permeable materials, such as radon-proof membranes). PMID:24412813
Crack diffusion coefficient - A candidate fracture toughness parameter for short fiber composites
NASA Technical Reports Server (NTRS)
Mull, M. A.; Chudnovsky, A.; Moet, A.
1987-01-01
In brittle matrix composites, crack propagation occurs along random trajectories reflecting the heterogeneous nature of the strength field. Considering the crack trajectory as a diffusive process, the 'crack diffusion coefficient' is introduced. From fatigue crack propagation experiments on a set of identical SEN polyester composite specimens, the variance of the crack tip position along the loading axis is found to be a linear function of the effective 'time'. The latter is taken as the effective crack length. The coefficient of proportionality between variance of the crack trajectory and the effective crack length defines the crack diffusion coefficient D which is found in the present study to be 0.165 mm. This parameter reflects the ability of the composite to deviate the crack from the energetically most efficient path and thus links fracture toughness to the microstructure.
Dincer, I.
1998-01-01
This study deals with the development of an analytical technique for determining the moisture diffusivities and moisture transfer coefficients for wood products subjected to drying. The wood products are idealized in the modeling as either infinite plates or long cylinders. The analysis of transient moisture diffusion is carried out on the basis of two important practical criteria: 0.1 < Bi < 100 and Bi> 100 where Bi = Biot number. The drying coefficients and lag factors were incorporated into the models. The developed analytical models are then verified by experimental measurements taken from the literature. Results show that the method presented here is capable of accurately determining the moisture diffusivities and moisture transfer coefficients for such objects. The models can be used for a variety of wood-drying applications.
The Diffusion Coefficient of Scandium in Dilute Aluminum-Scandium Alloys
NASA Astrophysics Data System (ADS)
Kerkove, Marcel A.; Wood, Thomas D.; Sanders, Paul G.; Kampe, Stephen L.; Swenson, Douglas
2014-08-01
The diffusion coefficient of Sc in dilute Al-Sc alloys has been determined at 748 K, 823 K, and 898 K (475 °C, 550 °C, and 625 °C, respectively) using semi-infinite diffusion couples. Good agreement was found between the results of the present study and both the higher temperature, direct measurements and lower temperature, indirect measurements of these coefficients reported previously in the literature. The temperature-dependent diffusion coefficient equation derived from the data obtained in the present investigation was found to be Combining these results with data from the literature and fitting all data simultaneously to an Arrhenius relationship yielded the expression In each equation given above, R is 0.0083144 kJ/mol K, T is in Kelvin, and the uncertainties are ±1 standard error.
NASA Astrophysics Data System (ADS)
Ito, Syoji; Itoh, Kou; Pramanik, Smritimoy; Kusumi, Takatsugu; Takei, Satoshi; Miyasaka, Hiroshi
2009-07-01
The translational diffusion coefficient of a perylenediimide (PDI) derivative in a dextrin-based photo-curable material was evaluated by single molecule tracking. Irradiation by UV light for 1.0 s led to a sudden decrease in the diffusion coefficients of ca. 70% of dye molecules, while that of the remaining 30% diffused as fast as in the uncured sample. The number of fast diffusing molecules decreased with increasing UV irradiation time. The diffusion coefficient decreased due to photoinduced network formation and reached a steady value after UV irradiation >8.0 s. This slow diffusion did not cease even after UV irradiation for 32 s.
Lithium tracer-diffusion in an alkali-basaltic melt — An ion-microprobe determination
NASA Astrophysics Data System (ADS)
Lowry, R. K.; Reed, S. J. B.; Nolan, J.; Henderson, P.; Long, J. V. P.
1981-03-01
An ion-microprobe-based technique has been used to measure lithium tracer-diffusion coefficients ( D Li) in an alkali-basaltic melt at 1300, 1350 and 1400°C. The results can be expressed in the form: D Li=7.5 ×10 -2exp(-27,600/RT)cm 2S -1 The results show significantly faster diffusion rates than those previously recorded for other monovalent, divalent and trivalent cations in a tholeiitic melt. Consequently, diffusive transport of ions acting over a given time in a basaltic melt can produce a wider range of transport distance values than hitherto supposed. Hence, it is concluded that great care should be exercised when applying diffusion data to petrological problems.
NASA Astrophysics Data System (ADS)
Salazar, Agustín; Fuente, Raquel; Apiñaniz, Estibaliz; Mendioroz, Arantza; Celorrio, R.
2011-08-01
The aim of this work is to analyze the ability of modulated photothermal radiometry to retrieve the thermal diffusivity and the optical absorption coefficient of layered materials simultaneously. First, we extend the thermal quadrupole method to calculate the surface temperature of semitransparent multilayered materials. Then, this matrix method is used to evaluate the influence of heat losses by convection and radiation, the influence of the use of thin paint layers on the accuracy of thermal diffusivity measurements, and the effect of lateral heat diffusion due to the use of Gaussian laser beams. Finally, we apply the quadrupole method to retrieve (a) the thermal contact resistance in glass stacks and (b) the thermal diffusivity and optical absorption coefficient depth profiles in heterogeneous materials with continuously varying physical properties, as is the case of functionally graded materials and partially cured dental resins.
NASA Technical Reports Server (NTRS)
Penner, Reginald M.; Vandyke, Leon S.; Martin, Charles R.
1987-01-01
The current pulse E sub oc relaxation method and its application to the determination of diffusion coefficients in electrochemically synthesized polypyrrole thin films is described. Diffusion coefficients for such films in Et4NBF4 and MeCN are determined for a series of submicron film thicknesses. Measurement of the double-layer capacitance, C sub dl, and the resistance, R sub u, of polypyrrole thin films as a function of potential obtained with the galvanostatic pulse method is reported. Measurements of the electrolyte concentration in reduced polypyrrole films are also presented to aid in the interpretation of the data.
Zbigniew Koza
2004-03-15
Using a numerical library for arbitrary precision arithmetic I study the irregular dependence of the diffusion coefficient on the slope of a piecewise linear map defining a dynamical system. I find that the graph of the diffusion coefficient as a function of the slope has the fractal dimension 1, but the convergence to this limit is slowed down by logarithmic corrections. The exponent controlling this correction depends on the slope and is either 1 or 2 depending on existence and properties of a Markov partition.
Effect of particle-hole symmetry on the behavior of tracer and jump diffusion coefficients.
Torrez Herrera, J J; Ranzuglia, G A; Manzi, S J; Pereyra, V D
2013-05-01
This paper analyzes the effect of particle-hole symmetry on the behavior of the tracer diffusion coefficient as well as the jump diffusion coefficient. The coefficients are obtained by performing a random walk of individual atoms in a two-dimensional square lattice at monolayer, using the n-fold way Monte Carlo simulation. Different hopping mechanisms have been introduced to study the effect of particle-hole symmetry. For hopping kinetics where the initial-state interactions are involved, the diffusion coefficient at high coverage falls several orders of magnitude due to the effect of particle-hole symmetry. For hopping kinetics where the final-state interactions are present, the effect is the opposite. For those involving both initial- and final-state interactions, like the so-called interaction kinetics, the effect of particle-hole symmetry is also discussed. This effect seems to be critical for repulsive lateral interactions, for which the behavior of the diffusion coefficients is modified by introducing the particle-hole symmetry condition. PMID:23767481
Non-Fermi liquid behavior of the drag and diffusion coefficients in QED plasma
Sarkar, Sreemoyee; Dutt-Mazumder, Abhee K.
2011-11-01
We calculate the drag and diffusion coefficients in low temperature QED plasma and go beyond the leading order approximation. The non-Fermi-liquid behavior of these coefficients are clearly revealed. We observe that the subleading contributions due to the exchange of soft transverse photon in both cases are larger than the leading order terms coming from the longitudinal sector. The results are presented in closed form at zero and low temperature.
Kruk, D; Meier, R; Rachocki, A; Korpa?a, A; Singh, R K; Rössler, E A
2014-06-28
Field Cycling Nuclear Magnetic Resonance (FC NMR) relaxation studies are reported for three ionic liquids: 1-ethyl-3- methylimidazolium thiocyanate (EMIM-SCN, 220-258 K), 1-butyl-3-methylimidazolium tetrafluoroborate (BMIM-BF4, 243-318 K), and 1-butyl-3-methylimidazolium hexafluorophosphate (BMIM-PF6, 258-323 K). The dispersion of (1)H spin-lattice relaxation rate R1(?) is measured in the frequency range of 10 kHz-20 MHz, and the studies are complemented by (19)F spin-lattice relaxation measurements on BMIM-PF6 in the corresponding frequency range. From the (1)H relaxation results self-diffusion coefficients for the cation in EMIM-SCN, BMIM-BF4, and BMIM-PF6 are determined. This is done by performing an analysis considering all relevant intra- and intermolecular relaxation contributions to the (1)H spin-lattice relaxation as well as by benefiting from the universal low-frequency dispersion law characteristic of Fickian diffusion which yields, at low frequencies, a linear dependence of R1 on square root of frequency. From the (19)F relaxation both anion and cation diffusion coefficients are determined for BMIM-PF6. The diffusion coefficients obtained from FC NMR relaxometry are in good agreement with results reported from pulsed- field-gradient NMR. This shows that NMR relaxometry can be considered as an alternative route of determining diffusion coefficients of both cations and anions in ionic liquids. PMID:24985656
NASA Astrophysics Data System (ADS)
Kruk, D.; Meier, R.; Rachocki, A.; Korpa?a, A.; Singh, R. K.; Rössler, E. A.
2014-06-01
Field Cycling Nuclear Magnetic Resonance (FC NMR) relaxation studies are reported for three ionic liquids: 1-ethyl-3- methylimidazolium thiocyanate (EMIM-SCN, 220-258 K), 1-butyl-3-methylimidazolium tetrafluoroborate (BMIM-BF4, 243-318 K), and 1-butyl-3-methylimidazolium hexafluorophosphate (BMIM-PF6, 258-323 K). The dispersion of 1H spin-lattice relaxation rate R1(?) is measured in the frequency range of 10 kHz-20 MHz, and the studies are complemented by 19F spin-lattice relaxation measurements on BMIM-PF6 in the corresponding frequency range. From the 1H relaxation results self-diffusion coefficients for the cation in EMIM-SCN, BMIM-BF4, and BMIM-PF6 are determined. This is done by performing an analysis considering all relevant intra- and intermolecular relaxation contributions to the 1H spin-lattice relaxation as well as by benefiting from the universal low-frequency dispersion law characteristic of Fickian diffusion which yields, at low frequencies, a linear dependence of R1 on square root of frequency. From the 19F relaxation both anion and cation diffusion coefficients are determined for BMIM-PF6. The diffusion coefficients obtained from FC NMR relaxometry are in good agreement with results reported from pulsed- field-gradient NMR. This shows that NMR relaxometry can be considered as an alternative route of determining diffusion coefficients of both cations and anions in ionic liquids.
Anders Axelsson; Bengt Persson
1988-01-01
Effective diffusion coefficients (De) have been determined for lactose, glucose, galactose, and ethanol in calcium alginate gel with varying yeast cell concentration.\\u000a The measurements have been performed in a diffusion cell, and the results evaluated with the quasisteady-state method. An\\u000a ultrasonic meter was used for gel thickness determination with an accuracy of 1.5% and a new method for the reproducible
Rafal Augustyniak; Fabien Ferrage; Raphaël Paquin; Olivier Lequin; Geoffrey Bodenhausen
We present new NMR methods to measure slow translational diffusion coefficients of biomolecules. Like the heteronuclear stimulated\\u000a echo experiment (XSTE), these new methods rely on the storage of information about spatial localization during the diffusion\\u000a delay as longitudinal polarization of nuclei with long T1 such as nitrogen-15. The new BEST-XSTE sequence combines features of Band-selective Excitation Short-Transient (BEST) and\\u000a XSTE
Toshihiko Kuroiwa; Tsukasa Nagaoka; Masato Ueki; Ichiro Yamada; Naoyuki Miyasaka; Hideaki Akimoto
Background and Purpose—Early and accurate diagnosis of brain edema in stroke patients is essential for the selection of appropriate treatment. We examined the correlations between the changes in the apparent diffusion coefficient (ADC), regional water content, and tissue ultrastructure during early focal cerebral ischemia. Methods—The left middle cerebral arteries of cats were occluded with an intramagnet occlusion\\/recirculation device. T2-weighted, diffusion-weighted,
Thermal Expansion and Diffusion Coefficients of Carbon Nanotube-Polymer Composites
NASA Astrophysics Data System (ADS)
Wei, Chenyu; Srivastava, Deepak; Cho, Kyeongjae
2002-06-01
Classical molecular dynamics (MD) simulations employing Brenner potential for intra-nanotube interactions and Van der Waals forces for polymer-nanotube interfaces are used to invetigate the thermal expansion and diffusion characteristics of carbon nanotube-polyethylene composites. Additions of carbon nanotubes to polymer matrix are found to increase the glass transition temperature Tg, and thermal expansion and diffusion coefficients in the composite above Tg. These findings could have implications in CNT composite processing, coating and painting applications.
Small effect of water on upper mantle rheology based on silicon self-diffusion coefficients
NASA Astrophysics Data System (ADS)
Fei, H.; Wiedenbeck, M.; Yamazaki, D.; Katsura, T.
2012-12-01
Water has been considered to significantly affect the mantle dynamics. In particular, experimental deformation studies [1-4] claimed that even small amount of water enhanced the creep in olivine by orders of magnitude. However, we note that their results are experimental artifact due to a number of limitations: e.g., unavoidable grain boundary sliding when polycrystalline samples were used; limited ranges of water contents due to the limited pressures; several orders higher stress and strain rate than those in nature. High temperature creep of silicate minerals is controlled by silicon self-diffusion. Therefore, measurement of silicon self-diffusion coefficients (DSi) in minerals, which can be performed without these limitations, is an independent way to study the mantle rheology. In this study, we measured DSi in Mg end-member of olivine, namely, forsterite, as a function of water content (CH2O) across a wide range, and concluded that effect of water on upper mantle rheology is very small. Forsterite single crystals were doped with <1 to ~800 ?g/g of water at 1600 K, 8 GPa using talc+brucite water sources and graphite buffer. The CH2O in the samples were controlled by the ratio of water sources to graphite. The water doped samples were polished, deposited with 500 nm 29Si enriched Mg2SiO4 thin films, and annealed at 8 GPa, 1600 or 1800 K for diffusion with the same proportion of water sources, which successfully made constant values of CH2O during diffusion annealing. The diffusion profiles were obtained by SIMS. CH2O in the samples were determined by FT-IR before and after diffusion, and also examined by SIMS. Our results yield a relationship: DSi ? (CH2O)1/3. This is explained by defect chemistry, where DSi?[VSi????]×[VO??]?(CH2O)2/3×(CH2O)-1/3=(CH2O)1/3 under the charge neutrality condition of [(OH)O?]=2[VMg??] because both Si and O vacancies are needed for Si ions to diffuse. The water contents exponent (1/3) determined in this study is much smaller than 1.2 [5], which was estimated based on deformation experiments. The small water content exponent demonstrates that effect of water on upper mantle rheology is very small in comparing with other factors like temperature, or shear stress. The difference in viscosity of olivine between dry (e.g., ~1 ?g/g of water) and 1000 ?g/g (maximum in upper mantle [6]) is only by a factor of 10. The softening of oceanic lithosphere, which is required to explain the plate motion, cannot be caused by hydration. [1] Karato et al. (1986), JGR 91, 8151-8176. [2] Mei and Kohlstedt (2000a), JGR 105(B9), 21471-21481. [3] Mei and Kohlstedt (2000b), JGR 105(B9), 21457-21469. [4] Jung and Karato (2001), Science 293, 1460-1463. [5] Hirth and Kohlstedt (2003), Geophys. Monogr. Am. Geophys. Union. 138, 83-106. [6] Hirschmann (2006), An. Rev. Earth Planet. Sci. 34, 629-653.
NASA Astrophysics Data System (ADS)
von Kameke, A.; Huhn, F.; Pérez-Muñuzuri, V.
2012-01-01
The nontrivial dependence of the asymptotic diffusion on noise intensity has been studied for a Hamiltonian flow mimicking the Gulf Jet Stream. Three different diffusion regimes have been observed depending on the noise intensity. For intermediate noise the asymptotic diffusion decreases with noise intensity at a rate which is linearly dependent to the flow's meander amplitude. Increasing the noise the fluid transport passes through a superdiffusive regime and finally becomes diffusive again at large noise intensities. The presence of inner circulation regimes in the flow has been found to be determinant to explain the observed behavior.
The diffusion properties of ion implanted species in selected target materials
Alton, G.D. [Oak Ridge National Lab., TN (United States); Dellwo, J.; Carter, H.K.; Kormicki, J.; Bartolo, G. di; Batchelder, J.C.; Breitenbach, J.; Chediak, J.A.; Jentoff-Nilsen, K.; Ichikawa, S.
1995-02-01
Experiments important to the future success of the Holifield Radioactive Ion Beam Facility (HRIBF) are in progress at the Oak Ridge National Laboratory which are designed to select the most appropriate target material for generating a particular radioactive ion beam (RIB). The 25-MV HHIRF tandem accelerator is used to implant stable complements of interesting radioactive elements into refractory targets mounted in a high-temperature FEBIAD ion source which is {open_quotes}on-line{close_quotes} at the UNISOR facility. The intensity versus time of implanted species, which diffuse from the high-temperature target material ({approximately}1700{degrees}C) and are ionized in the FEBIAD ion source, is used to determine release times for a particular projectile/target material combination. From such release data, diffusion coefficients can be derived by fitting the theoretical results obtained by computational solution of Fick`s second equation to experimental data. The diffusion coefficient can be used subsequently to predict the release properties of the particular element from the same material in other target geometries and at other temperatures, provided that the activation energy is also known. Diffusion coefficients for Cl implanted into and diffused from CeS and Zr{sub 5}Si{sub 3} and As, Br, and Se implanted into and diffused from Zr{sub 5}Ge{sub 3} have been derived from the resulting intensity versus time profiles. Brief descriptions of the experimental apparatus and procedures utilized in the present experiments and plans for future related experiments are presented.
Magnetic diffusion and ion nonlinear dynamics in magnetic reconnection
NASA Astrophysics Data System (ADS)
Zenitani, S.; Shinohara, I.; Nagai, T.; Wada, T.
2013-12-01
Magnetic reconnection is a fundamental process in many plasma systems, ranging from laboratory and solar-terrestrial environments to extreme astrophysical settings. The reconnection process is controlled by magnetic dissipation physics in a small-scale region near the reconnection point (X-line), and therefore the structure of the reconnection site is of strong interest. According to the standard picture of collisionless reconnection, the X-line is surrounded by a compact electron diffusion region and by an outer ion diffusion region. While the electron region has been extensively studied, much less is known about the ion region. In this work, we examine key aspects of the ion region in magnetic reconnection. First, we evaluate the ''diffusion'' of magnetic field lines, going back to the topology theorems. Unlike in the MHD, the idealness, the frozen-in, magnetic diffusion, and the energy dissiation can be all different in a kinetic plasma. We will apply these concepts to the reconnection site in two-dimensional particle-in-cell (PIC) simulations. Importantly, in the outer part of the ion region, even though the ion ideal condition is violated, the magnetic fields are frozen to plasma fluids. This raises a serious question to the widespread definition of the ion diffusion region, based on the ion nonidealness. We further examine the ion velocity distribution function in the same region. The distribution function contains multiple populations such as global Speiser ions, local Speiser ions, and trapped ions. The particle motion of the local Speiser ions in an appropriately rotated frame explains the plasma nonidealness. The trapped ions are the first demonstration of the regular orbits in Chen & Palmadesso (1986), in self-consistent PIC simulations. They would be observational signatures in the ion current layer near reconnection sites.
Chao Wang; Jing Wang; Tao Su
2007-01-01
Energy-dispersive X-ray spectroscopy analysis (EDX) is an easy and exact method for determination of water diffusion coefficients and dynamics. Here we have calculated the water diffusion coefficients and dynamics in adhesive\\/carbon fiber–reinforced phenolic resin composite joints subjected to different surface treatments with both EDX and elemental analysis. The water diffusion coefficients and dynamics in the adhesive joints determined with EDX
NASA Astrophysics Data System (ADS)
Jebaraj Johnley Muthuraj, Josiah
Cathodic protection is widely used for corrosion prevention. However, this process generates hydrogen at the protected metal surface, and diffusion of hydrogen through the metal may cause hydrogen embrittlement or hydrogen induced stress corrosion cracking. Thus the choice of a metal for use as fasteners depends upon its hydrogen uptake, permeation, diffusivity and trapping. The diffusivity of hydrogen through four high strength alloys (AISI 4340, alloy 718, alloy 686, and alloy 59) was analyzed by an electrochemical method developed by Devanathan and Stachurski. The effect of plasma nitriding and microstructure on hydrogen permeation through AISI 4340 was studied on six different specimens: as-received (AR) AISI 4340, nitrided samples with and without compound layer, samples quenched and tempered (Q&T) at 320° and 520°C, and nitrided samples Q&T 520°C. Studies on various nitrided specimens demonstrate that both the gamma'-Fe 4N rich compound surface layer and the deeper N diffusion layer that forms during plasma nitriding reduce the effective hydrogen diffusion coefficient, although the gamma'-Fe4N rich compound layer has a larger effect. Multiple permeation transients yield evidence for the presence of only reversible trap sites in as-received, Q&T 320 and 520 AISI 4340 specimens, and the presence of both reversible and irreversible trap sites in nitrided specimens. Moreover, the changes in microstructure during the quenching and tempering process result in a significant decrease in the diffusion coefficient of hydrogen compared to as-received specimens. In addition, density functional theory-based molecular dynamics simulations yield hydrogen diffusion coefficients through gamma'- Fe4N one order of magnitude lower than through ?-Fe, which supports the experimental measurements of hydrogen permeation. The effect of microstructure and trapping was also studied in cold rolled, solutionized, and precipitation hardened Inconel 718 foils. The effective hydrogen diffusion coefficient is considerably higher for the solutionized Inconel 718 than for either the cold rolled or precipitation hardened specimens. Microstructural studies indicate that the reduced hydrogen diffusion coefficients in the latter specimens arise from hydrogen trapping at dislocations and precipitates that are present at much lower concentrations in the solutionized specimens. Repeated permeation transients provide evidence for irreversible hydrogen trapping in the cold rolled and precipitation hardened specimens, but such effects are insignificant in the solutionized specimens. The effect of trapping in determining the hydrogen diffusion coefficients was also studied in alloy 686 and 59 specimens. Microstructural studies indicate the presence of bcc-Mo rich inclusions concentrated along the grain boundaries in alloy 686 specimens, but randomly distributed in alloy 59 specimens. Multiple permeation transients show an increase in diffusion coefficient values for the decay transients compared to rise transients in alloy 686 specimens. On the other hand, the first rise transient had a lower diffusion coefficient compared to successive rise and decay transients in alloy 59 specimens. Effective diffusion coefficient (Deff) values of hydrogen in multiple permeation transients suggest that hydrogen trapping sites are predominantly reversible in alloy 686, but mixed reversible and irreversible in alloy 59.
Reorientational angle distribution and diffusion coefficient for nodal and cylindrical surfaces
NASA Astrophysics Data System (ADS)
Plewczy?ski, D.; Ho?yst, R.
2000-12-01
We present a catalogue of diffusion coefficients and reorientational angle distribution (RAD) for various periodic surfaces, such as I-WP, F-RD, S, and S1 nodal surfaces; cylindrical structures like simple, undulated, and spiral cylinders, and a three-dimensional interconnected-rod structures. The results are obtained on the basis of a simulation algorithm for a diffusion on a surface given by the general equation ?(r)=0 [Ho?yst et al., Phys Rev. E 60, 302 (1999)]. I-WP, S, and S1 surfaces have a spherelike RAD, while F-RD has a cubelike RAD. The average of the second Legendre polynomial with RAD function for all nodal surfaces, except the F-RD nodal surface, decays exponentially with time for short times. The decay time is related to the Euler characteristic and the area per unit cell of a surface. This analytical formula, first proposed by B. Halle, S. Ljunggren, and S. Lidin in J. Chem. Phys. 97, 1401 (1992), is checked here on nodal surfaces, and its range of validity is determined. RAD function approaches its stationary limit exponentially with time. We determine the time to reach stationary state for all surfaces. In the case of the value of the effective diffusion coefficient the mean curvature and a connectivity between parts of surfaces have the main influence on it. The surfaces with low mean curvature at every point of the surface are characterized by high-diffusion coefficient. However if a surface has globally low mean curvature with large regions of nonzero mean curvature (negative and positive) the effective diffusion coefficient is low, as for example, in the case of undulated cylinders. Increasing the connectivity, at fixed curvatures, increases the diffusion coefficient.
Determination of effective water vapor diffusion coefficient in pemfc gas diffusion layers
Kandlikar, Satish
of product water in proton exchange membrane (PEM) fuel cells is through the cathode gas diffusion layer (GDL. A dynamic diffusion test cell is developed to produce a water vapor concentration gradient across the GDL Ltd. All rights reserved. 1. Introduction Proton exchange membrane (PEM) fuel cells have emerged
Tatistcheff, H.B.; Fritsch-Faules, I.; Wrighton, M.S. (Massachusetts Inst. of Technology, Cambridge (United States))
1993-03-18
The authors report electrochemical measurement of diffusion coefficients and operation of electrochemical devices in aqueous polyacrylate gels formed by neutralization of poly(acrylic acid), MW = 4 [times] 10[sup 6]. Upon neutralization, dilute aqueous solutions become gels with viscosities as high as 5 [times] 10[sup 4] cP at low shear rates. Diffusivity was measured using potential step generation-collection on arrays of closely spaced microelectrodes. The diffusion coefficient, D, of 1,1[prime]-bis(hydroxymethyl)ferrocenium was found to be (5.8 [+-] 0.4) [times] 10[sup [minus]6] cm[sup 2]/s in the gel electrolyte (aqueous 0.5% poly(acrylic acid) at pH 7) and (8.8 [+-] 0.8) [times] 10[sup [minus]6] cm[sup 2]/s in the aqueous fluid electrolyte 0.1 M NaCH[sub 3]CO[sub 2] (pH 7). The small decrease observed in D for the gel vs the fluid with such a large increase in viscosity is contrary to the Stokes-Einstein mode for diffusion in viscous solutions but is in accord with the structure of polyacrylate gels which consists of two phases. The continuous, aqueous phase allows for high diffusivity. Electrochemical transistors based on ruthenium oxide exhibit similar operating characteristics in both polyacrylate gel and aqueous fluid electrolytes. Response times of electrochromic polymer films made from N,N[prime]-bis[p-(trimethoxysilyl)benzyl]-4,4[prime]-bipyridinium are slower in gel by about a factor of 10 compared to aqueous fluid electrolytes. The slow electrochromic switching is likely due to sluggish ion motion, owing to the effects of charge compensation by the polyacrylate. 30 refs., 11 figs., 2 tabs.
Diffusion Coefficients from Molecular Dynamics Simulations in Binary and Ternary Mixtures
NASA Astrophysics Data System (ADS)
Liu, Xin; Schnell, Sondre K.; Simon, Jean-Marc; Krüger, Peter; Bedeaux, Dick; Kjelstrup, Signe; Bardow, André; Vlugt, Thijs J. H.
2013-07-01
Multicomponent diffusion in liquids is ubiquitous in (bio)chemical processes. It has gained considerable and increasing interest as it is often the rate limiting step in a process. In this paper, we review methods for calculating diffusion coefficients from molecular simulation and predictive engineering models. The main achievements of our research during the past years can be summarized as follows: (1) we introduced a consistent method for computing Fick diffusion coefficients using equilibrium molecular dynamics simulations; (2) we developed a multicomponent Darken equation for the description of the concentration dependence of Maxwell-Stefan diffusivities. In the case of infinite dilution, the multicomponent Darken equation provides an expression for [InlineEquation not available: see fulltext.] which can be used to parametrize the generalized Vignes equation; and (3) a predictive model for self-diffusivities was proposed for the parametrization of the multicomponent Darken equation. This equation accurately describes the concentration dependence of self-diffusivities in weakly associating systems. With these methods, a sound framework for the prediction of mutual diffusion in liquids is achieved.
NASA Astrophysics Data System (ADS)
Chen, E.; Tsai, T.-L.; Dieckmann, R.
2008-06-01
To investigate whether a change in the valence state of tracer ions affects their diffusivity or not, the iron tracer diffusion in Al 2O 3-doped MgO, in which 0.5% of the cations were Al 3+ ions, has been studied experimentally. Samples were prepared from high purity aluminum and magnesium nitrates using a chemical solution method and from powders of high purity Al 2O 3 and MgO. Because the concentration of the Al 3+ dopant ions present in the samples was much larger than that of all other impurities, the concentration of the majority point defects, cation vacancies, was determined by the Al 3+ concentration. Therefore, when changing the oxygen activity, the diffusivity of iron tracer ions can only be altered by changes in their valence state. Measurements of iron tracer diffusion coefficients were performed as a function of the oxygen activity at 1100 and 1200 °C. The experimental results indicate that the mean diffusivity of iron ions in Al 2O 3-doped MgO increases with increasing oxygen activity at both temperatures, suggesting that Fe 3+ ions diffuse in Al 2O 3-doped MgO faster than Fe 2+ ions.
An analytic approximation to the Diffusion Coefficient for the periodic Lorentz Gas
C. Angstmann; G. P. Morriss
2012-02-14
An approximate stochastic model for the topological dynamics of the periodic triangular Lorentz gas is constructed. The model, together with an extremum principle, is used to find a closed form approximation to the diffusion coefficient as a function of the lattice spacing. This approximation is superior to the popular Machta and Zwanzig result and agrees well with a range of numerical estimates.
Water diffusion coefficients during copper electropolishing and IAN IVAR SUNI2*
Suni, Ian Ivar
Water diffusion coefficients during copper electropolishing BING DU1 and IAN IVAR SUNI2* 1, including several with ethanol and other species added as diluents. Diluents allow a wider range of water in the mass transfer limited regime are shown to depend on both the number of water acceptor molecules
Modeling the sequence-dependent diffusion coefficients of short DNA molecules
Knopf, Dan
Modeling the sequence-dependent diffusion coefficients of short DNA molecules O. Gonzalez1,a and J of sequence-dependent hydrodynamic properties of short DNA molecules is introduced. The hydrated surface for families of random and periodic DNA sequences are computed and compared with theories for straight tubes
NASA Astrophysics Data System (ADS)
Chenyakin, Y.; Kamal, S.; Bertram, A. K.
2014-12-01
Secondary organic aerosol (SOA) particles are formed in the atmosphere via gas-to-particle conversion of low and semi volatile organic compounds. They are abundant in the atmosphere and can directly contribute to climate change by scattering solar radiation or indirectly by acting as cloud condensation nuclei or ice nuclei. There is also a health concern associated with SOA particles because they can make up a large fraction of suspended submicron particulate mass. In addition, a reduction in visibility in both polluted and rural areas can be due to SOA particles. Knowledge of diffusion coefficients of organic species within SOA particles is needed to predict the atmospheric behaviour and environmental impacts of these particles. Here we introduce a new method to determine diffusion coefficients of organic probes in particles made up of organic species as a function of relative humidity (RH). Our method involves using fluorescence recovery after photobleaching (FRAP) to measure the diffusion coefficients of organic fluorescent dyes in organic particles with dimensions of approximately 25 ?m. We validated this method by measuring diffusion coefficients of organic dyes of varied size in sucrose-water solutions as a function of RH and comparing these results with data from the literature. In the future this method will be applied to SOA particles.
Michalet, Xavier
Fit Algorithm Performance Comparison (Supporting Information for "Optimal Diffusion Coefficient is provided below. Success Maps Success is defined here as percentage of trajectories for which the fitted of trajectory points N needed to achieve a fitted value of D within 25% of its correct value with some desired
D. A. Ivanov; Th. Grossmann; J. Winkelmann
2005-01-01
Over the last decade dynamic light scattering (DLS) has developed into a powerful technique for the determination of transport properties in liquids and liquid mixtures. Its advantague is based on the fact that microscopic fluctuations in concentration and temperature are used to characterize the transport behavior and no external macroscopic gradients are needed. All classical methods of Fick's diffusion coefficient
Measurement of the diffusion coefficients of sparingly soluble gases in water
Bernd Jähne; Gerhard Heinz; Wolfgang Dietrich
1987-01-01
The diffusion coefficients D of important gas tracers dissolved in water an seawater were measured with a modified Barrer method. The measurements include the gases He, Ne, Kr, Xe, H2 , CH4 , and CO2 dissolved in distilled water in the temperature range from 5 to 35°C, and He and H2 dissolved in seawater in the same temperature range. The
The Mutual Diffusion Coefficient of Ethanol-Water Mixtures: Determination by a Rapid, New Method
K. C. Pratt; W. A. Wakeham
1974-01-01
Mutual diffusion coefficients for liquid mixtures of ethanol and water have been measured over the entire range of composition and for temperatures from 25 to 65 degrees C at a pressure of 1 bar (105 Pa). At the lowest temperature, the results establish the validity of a new experimental method based upon Taylor's analysis of solute dispersion in laminar flow.
A. J. J. van der Zanden; A. Aghaei
2009-01-01
A method is presented for the determination of the diffusion coefficient of water in brick. A brick is sealed on five sides to ensure one-dimensional water transport. The wet brick is hung with the utmost ends each from a balance. This way, not only the mass of the water in the brick is measured, but some information is obtained about
Density-driven instabilities in capillary tubes: Influence of a variable diffusion coefficient
Meiburg, Eckart H.
density gradient of the self-similar base concentration profile increases while its location is shifted by the three-dimensional Stokes equations. The density = 2 +c 1- 2 and viscosity = 2eRc are assDensity-driven instabilities in capillary tubes: Influence of a variable diffusion coefficient S. H
NASA Astrophysics Data System (ADS)
Damberg, Peter; Jarvet, Jüri; Gräslund, Astrid
2001-02-01
For NMR probes equipped with pulsed field gradient coils, which are not optimized for gradient linearity, the precision and accuracy of experimentally measured translational diffusion coefficients are limited by the linearity of the gradient pulses over the sample volume. This study shows that the accuracy and precision of measured diffusion coefficients by the Stejskal-Tanner spin-echo pulsed field gradient experiment can be significantly improved by mapping the gradient z-profile and by using the mapped calibration parameters in the data analysis. For practical applications the gradient distribution may be approximated by a truncated linear distribution defined by minimum and maximum values of the gradient. By including the truncated linear gradient distribution function in the Stejskal-Tanner equation, the systematic deviation between the fitted curve and the experimental attenuation curve decreases by an order of magnitude. The gradient distribution may be calibrated using an intense NMR signal from a sample with a known diffusion coefficient. The diffusion coefficient of an unknown sample may then be determined from a two-parameter fit, using the known gradient distribution function.
Self-Diffusion Coefficients of Methane or Ethane Mixtures with Hydrocarbons at High Pressure by NMR
Dysthe, Dag Kristian
Self-Diffusion Coefficients of Methane or Ethane Mixtures with Hydrocarbons at High Pressure by NMR of the NMR-PGSE technique. The estimated accuracy of the measurements is (5%. Experimental self in terms of velocity correlation functions exist (Hertz, 1977). The NMR technique, by application
Cipelletti, Luca; Biron, Jean-Philippe; Martin, Michel; Cottet, Hervé
2015-08-18
Taylor dispersion analysis is an absolute and straightforward characterization method that allows determining the diffusion coefficient, or equivalently the hydrodynamic radius, from angstroms to submicron size range. In this work, we investigated the use of the Constrained Regularized Linear Inversion approach as a new data processing method to extract the probability density functions of the diffusion coefficient (or hydrodynamic radius) from experimental taylorgrams. This new approach can be applied to arbitrary polydisperse samples and gives access to the whole diffusion coefficient distributions, thereby significantly enhancing the potentiality of Taylor dispersion analysis. The method was successfully applied to both simulated and real experimental data for solutions of moderately polydisperse polymers and their binary and ternary mixtures. Distributions of diffusion coefficients obtained by this method were favorably compared with those derived from size exclusion chromatography. The influence of the noise of the simulated taylorgrams on the data processing is discussed. Finally, we discuss the ability of the method to correctly resolve bimodal distributions as a function of the relative separation between the two constituent species. PMID:26243023
Michalet, Xavier
2012-01-01
PHYSICAL REVIEW E 85, 061916 (2012) Optimal diffusion coefficient estimation in single-particle; revised manuscript received 3 May 2012; published 21 June 2012) Single-particle tracking is increasingly the practical performance of the algorithms as well as some important implications of these results for single-particle
Bounce averaged diffusion coefficients in a physics based magnetic field geometry from RAM-SCB
NASA Astrophysics Data System (ADS)
Zhao, L.; Yu, Y.; Delzanno, G. L.; Jordanova, V.
2014-12-01
Local acceleration via whistler wave and particle interaction plays an important role in particle dynamics in the radiation belt. In this work we explore wave-particle interaction in different magnetic field configurations related to the 17 March, 2013 storm. We consider the Earth's magnetic dipole field as a reference, and compare the results against non-dipole field configurations corresponding to quiet and stormy conditions. The latter are obtained with RAM-SCB, a code that models the Earth's ring current and provides a realistic modeling of the Earth's magnetic field. By applying quasi-linear theory, the bounce-averaged electron pitch angle, energy and mixed term diffusion coefficients are calculated for each magnetic field configuration. It is shown that the magnetic field can have a significant influence on the diffusion coefficients via the wave-particle resonance condition. In addition, the equatorial pitch angle, wave frequency and spectral distribution of whistler waves also affect the bounce-averaged diffusion coefficients in particle energy range from KeV to MeV. Part of the ongoing work will focus on the phase space density evolution based on the Fokker-Planck equation with the bounce-averaged diffusion coefficients previously calculated.
Venus ionosphere: photochemical and thermal diffusion control of ion composition.
Bauer, S J; Donahue, T M; Hartle, R E; Taylor, H A
1979-07-01
The major photochemical sources and sinks for ten of the ions measured by the ion mass spectrometer on the Pioneer Venus bus and orbiter spacecraft that are consistent with the neutral gas composition measured on the same spacecraft have been identified. The neutral gas temperature (Tn) as a function of solar zenith angle (chi) derived from measured ion distributions in photochemical equilibrium is given by Tn (K) = 323 cos(1/5)chi. Above 200 kilometers, the altitude behavior of ions is generally controlled by plasma diffusion, with important modifications for minor ions due to thermal diffusion resulting from the observed gradients of plasma temperatures. The dayside equilibrium distributions of ions are sometimes perturbed by plasma convection, while lateral transport of ions from the dayside seems to be a major source of the nightside ionosphere. PMID:17778920
Diffusion coefficient of krypton atoms in helium gas at low and moderate temperatures
NASA Astrophysics Data System (ADS)
Bouazza, M. T.; Bouledroua, M.
In the present work, using the Chapman-Enskog method for dilute gases, the diffusion coefficients of ground krypton atoms in a very weakly ionized helium buffer gas are revisited. The calculations are carried out quantum mechanically in the range of low and moderate temperatures. The 1 ?+ potential-energy curve via which Kr approaches He is constructed from the most recent ab initio energy points. The reliable data points used in the construction are smoothly connected to adequate long- and short-range forms. The calculations of the classical second virial coefficients and the Boyle temperature of the helium-krypton mixture are also discussed. These coefficients and their variations in terms of temperature are analysed by adopting the constructed HeKr potential and the Lennard-Jones form that fits it. The diffusion and elastic cross sections are also explored and the resonance features they exhibit are closely examined. The variation law of the diffusion coefficients with temperature is determined for typical values of density and pressure. The coefficients show excellent agreement with the available experimental data; the discrepancies do not exceed 5%.
Belova, Irina; Kulkarni, Nagraj S; Sohn, Yong Ho; Murch, Prof. Graeme
2013-01-01
In this paper, a new development of the classic Onsager phenomenological formalism is derived using relations based on linear response theory. The development concerns the correct description of the fluxes of the atomic isotopes. The resulting expressions in the laboratory frame are surprisingly simple and consist of terms coming from the standard interdiffusion expressions and from Fick s first law where the tracer diffusion coefficient is involved thus providing a better understanding of the relationship between the two approaches - Fick s first law and the Onsager phenomenological formalism. From an experimental application perspective, the new development is applied to the binary alloy case. The formalism provides the means to obtain the interdiffusion coefficient and tracer diffusion coefficients simultaneously from analysis of the interdiffusion concentration profiles in a single experiment.
Nahar, Sultana Nurun
ELECTRON-ION RECOMBINATION RATE COEFFICIENTS AND PHOTOIONIZATION CROSS SECTIONS FOR ASTROPHYSICALLY for photoionization and electron-ion recombination cross sections of Ar xiii. The ion is represented by a large close and partial photoionization cross sections of all bound states, state-specific recombination rates of 561
Meftah, B.
1982-01-01
Present methods used in reactor analysis do not include adequately the effect of anisotropic scattering in the calculation of resonance effective cross sections. Also the assumption that the streaming term ..cap omega...del Phi is conserved when the total, absorption and transfer cross sections are conserved, is bad because the leakage from a heterogeneous cell will not be conserved and is strongly anisotropic. A third major consideration is the coupling between different regions in a multiregion reactor; currently this effect is being completely ignored. To assess the magnitude of these effects, a code based on integral transport formalism with linear anisotropic scattering was developed. Also, a more adequate formulation of the diffusion coefficient in a heterogeneous cell was derived. Two reactors, one fast, ZPR-6/5, and one thermal, TRX-3, were selected for the study. The study showed that, in general, the inclusion of linear scattering anisotropy increases the cell effective capture cross section of U-238. The increase was up to 2% in TRX-3 and 0.5% in ZPR-6/5. The effect on the multiplication factor was -0.003% ..delta..k/k for ZPR-6/5 and -0.05% ..delta..k/k for TRX-3. For the case of the diffusion coefficient, the combined effect of heterogeneity and linear anisotropy gave an increase of up to 29% in the parallel diffusion coefficient of TRX-3 and 5% in the parallel diffusion coefficient of ZPR-6/5. In contrast, the change in the perpendicular diffusion coefficient did not exceed 2% in both systems.
Radial diffusion of low-energy plasma ions in Saturn's magnetosphere
Barbosa, D.D. (Univ. of California, Los Angeles (United States))
1990-10-01
Analytic solutions to the steady state radial diffusion equation allowing for a distributed source and sink of ions are presented The diffusion space has absorption boundaries at the ends and is divided into two regions separated by an interior boundary where a discontinuity in diffusion and loss parameters is allowed to exist. The most general solution consist of a collection of point sources with adjustable weights to approximate an arbitrary continuous distribution of ion sources. The theory is applied to the study of thermal ion diffusion in Saturn's magnetosphere. It is concluded that a relatively large transport rate is required to conform with low-energy Voyager plasma measurements and a radial diffusion coefficient expressible as D{sub LL} = 4 {times} 10 {sup {minus}7} s{sup {minus}1} (L/6){sup 3{sup {minus}4}} is indicated. In such a fast diffusion regime cool O{sup +} ion densities at L = 2.8, 6, and 15 may be obtained from a single source in the form of the Dione-Tethys neutral H{sub 2}O cloud. Hot ion densities in the outer magnetosphere are obtained from ionization of Titan's neutral atomic clouds of hydrogen and nitrogen and ion pickup by the magnetospheric flow. The O{sup +} thermal ion model is compatible with a bimodal distribution of neutral hydrogen in the magnetosphere with a Titan cloud (H) {approx equal} 20 cm{sup {minus}3} (L/20) in the outer magnetosphere and a low-density (H) = 6 cm{sup {minus}3} (6/L){sup 2} hydrogen corona of either Saturnian origin or ring origin in the inner magnetosphere.
Kuss, Joachim; Holzmann, Jörg; Ludwig, Ralf
2009-05-01
Mercury is a priority pollutant as its mobility between the hydrosphere and the atmosphere threatens the biosphere globally. The air-water gas transfer of elemental mercury (Hg0) is controlled by its diffusion through the water-side boundary layer and thus by its diffusion coefficient, D(Hg), the value of which, however, has not been established. Here, the diffusion of Hg0 in water was modeled by molecular dynamics (MD) simulation and the diffusion coefficient subsequently determined. Therefore the movement of either Hg(0) or xenon and 1000 model water molecules (TIP4P-Ew) were traced for time spans of 50 ns. The modeled D(Xe) of the monatomic noble gas agreed well with measured data; thus, MD simulation was assumed to be a reliable approach to determine D(Hg) for monatomic Hg(0) as well. Accordingly, Hg(0) diffusion was then simulated for freshwater and seawater, and the data were well-described by the equation of Eyring. The activation energies for the diffusion of Hg0 in freshwater was 17.0 kJ mol(-1) and in seawater 17.8 kJ mol(-1). The newly determined D(Hg) is clearly lower than the one previously used for an oceanic mercury budget. Thus, its incorporation into the model should lead to lower estimates of global ocean mercury emissions. PMID:19534132
Isospin Diffusion Observables in heavy ion reactions
T. X. Liu; W. G. Lynch; M. B. Tsang; X. D. Liu; R. Shomin; W. P. Tan; G. Verde; A. Wagner; H. F. Xi; H. S. Xu; B. Davin; Y. Larochelle; R. T. de Souza; R. J. Charity; L. G. Sobotka
2006-10-06
Collisions of 112Sn and 124Sn nuclei, which differ in their isospin asymmetry, provide information about the rate of isospin diffusion and equilibration. While several different probes can provide accurate diffusion measurements, the ratios of the mirror nuclei may be the simplest and most promising one. Ratios of the mass seven mirror nuclei yields are analyzed to show the rapidity, transverse momentum and impact parameter dependence of isospin diffusion.
Hermes, Helen E; Sitta, Christoph E; Schillinger, Burkhard; Löwen, Hartmut; Egelhaaf, Stefan U
2015-06-28
The dissolution of polyethylene oxide (PEO) tablets in water has been followed in situ by neutron radiography. When in contact with water, the crystalline phase of semi-crystalline PEO melts once a certain water content is attained. Polymer concentration profiles obtained from the neutron transmission images exhibited a pronounced kink which corresponds to a sharp front in the images and which is related to the melting transition. Sharp diffusion fronts and phase transitions are often linked to non-Fickian behaviour. However, by considering the time evolution of the complete concentration profiles in detail it is shown that the dissolution process can be explained using Fickian diffusion equations with a concentration-dependent diffusion coefficient. PMID:26018995
Preeda Prakotmak; Somchart Soponronnarit; Somkiat Prachayawarakorn
2010-01-01
The purpose of this research was to determine the diffusion coefficient of moisture in the pores of banana foam mat using stochastic pore network. A 2-D pore network was used to represent the pore voids inside the banana foam sample and the moisture movement inside the individual pore segments was described by Fick’s law. To determine the moisture diffusion coefficient,
Substrate concentration influences effective radial diffusion coefficient in canine cortical bone.
Farrell, Kurt; O'Conor, Daniel; Gonzalez, Mariela; Androjna, Caroline; Midura, Ronald J; Tewari, Surendra N; Belovich, Joanne
2014-12-01
Transport of nutrients and waste across osseous tissue is dependent on the dynamic micro and macrostructure of the tissue; however little quantitative data exists examining how this transport occurs across the entire tissue. Here we investigate in vitro radial diffusion across a section of canine tissue, at dimensions of several hundred microns to millimeters, specifically between several osteons connected through a porous microstructure of Volkmann's canals and canaliculi. The effective diffusion coefficient is measured by a "sample immersion" technique presented here, in which the tissue sample was immersed in solution for 18-30 h, image analysis software was used to quantify the solute concentration profile in the tissue, and the data were fit to a mathematical model of diffusion in the tissue. Measurements of the effective diffusivity of sodium fluorescein using this technique were confirmed using a standard two-chamber diffusion system. As the solute concentration increased, the effective diffusivity decreased, ranging from 1.6 × 10(-7) ± 3.2 × 10(-8) cm(2)/s at 0.3 ?M to 1.4 × 10(-8) ± 1.9 × 10(-9) cm(2)/s at 300 ?M. The results show that there is no significant difference in mean diffusivity obtained using the two measurement techniques on the same sample, 3.3 × 10(-8) ± 3.3 × 10(-9) cm(2)/s (sample immersion), compared to 4.4 × 10(-8) ± 1.1 × 10(-8) cm(2)/s (diffusion chamber). PMID:25234132
The lateral diffusion of mass identified positive ions in oxygen
D. R. Gray; J. A. Rees
1972-01-01
Measurements of the lateral diffusion of mass identified O2+ ions in oxygen are reported and comparison made with other available data. Calculations are made of the ratio of the first and second order transport cross sections using the present data and drift velocities obtained by other workers. The conclusion is drawn that the ion-molecule system studied is strongly influenced by
Diffusion mechanism and the thermal stability of fluorine ions in GaN after ion implantation
Wang, M. J.; Yuan, L.; Chen, K. J. [Department of Electronic and Computer Engineering, Hong Kong University of Science and Technology, Clear Water Bay (Hong Kong); Xu, F. J.; Shen, B. [School of Physics, Peking University, Beijing 100871 (China)
2009-04-15
The diffusion mechanisms of fluorine ions in GaN are investigated by means of time-of-flight secondary ion mass spectrometry. Instead of incorporating fluorine ions close to the sample surface by fluorine plasma treatment, fluorine ion implantation with an energy of 180 keV is utilized to implant fluorine ions deep into the GaN bulk, preventing the surface effects from affecting the data analysis. It is found that the diffusion of fluorine ions in GaN is a dynamic process featuring an initial out-diffusion followed by in- diffusion and the final stabilization. A vacancy-assisted diffusion model is proposed to account for the experimental observations, which is also consistent with results on molecular dynamic simulation. Fluorine ions tend to occupy Ga vacancies induced by ion implantation and diffuse to vacancy rich regions. The number of continuous vacancy chains can be significantly reduced by a dynamic thermal annealing process. As a result, strong local confinement and stabilization of fluorine ions can be obtained in GaN crystal, suggesting excellent thermal stability of fluorine ions for device applications.
Huang, Chang-Chun; Li, Yun-Mei; Sun, De-Yong; Le, Cheng-Feng; Wu, Lan; Wang, Li-Zhen; Wang, Xing
2009-02-15
According to the optical property data measured in Taihu Lake at October and November 2006, the characteristics of the diffuse attenuation coeffcient (Kd), the contribution of each factor effecting on Kd and the effect of Kd on the aquatic ecology environment were analyzed. The results indicate that, the diffuse attenuation coefficient Kd of Taihu Lake has two main trends in the whole visible wavelength range (400-700 nm). The first type is that, Kd decreases with the wavelengths by exponential style in the range of less than 571 nm wavelengths, and the second type is that, Kd is in the form of fluctuations in the range of larger than 571 nm wavelengths. In the range of 400-700 nm wavelength, the absorption coefficient of pigment particles is the first contributors of diffuse attenuation coefficient. Non-pigment particles absorption and scattering coefficients is the second contributor, and the rate of contribution of yellow substance is the smallest. The Kd of Taihu Lake determines the light factor of the Taihu water ecosystem. The "water window" shaped by the Kd provides the light base for different kinds of ecosystem and the appearance of Microcystic aentginosa which is the preponderant algae in the "algal blooms" phenomenon. PMID:19402480
Nicholson, C; Phillips, J M
1981-01-01
1. The validity of the macroscopic laws of ion diffusion was critically examined within the microenvironment of the extracellular space in the rat cerebellum using ion-selective micropipettes and ionophoretic point sources. 2. The concepts of volume averaging, volume fraction (alpha) and tortuosity (lambda) were defined and shown to be theoretically appropriate for quantifying diffusion in a complex medium such as the brain. 3. Diffusion studies were made with the cations tetramethylammonium and tetraethylammonium and the anions alpha-naphthalene sulphonate and hexafluoro-arsenate, all of which remained essentially extracellular during the measurements. Diffusion parameters were measured for a period of 50s and over distances of the order of 0.1 mm. 4. Measurements of the diffusion coefficients of the ions in agar gel gave values that were very close to those derivable from the literature, thus confirming the validity of the method. 5. Measurements in the cerebellum did not reveal any systematic influences of ionophoretic current strength, electrode separation, anisotropy, inhomogeneity, charge discrimination or uptake, within the limits tested. 6. The pooled data from measurements with all the ions gave alpha = 0.21 +/- 0.02 (mean +/- S.E. of mean) and lambda = 1.55 +/- 0.05 (mean +/- S.E. of mean). 7. These results show that the extracellular space occupies about 20% of the rat cerebellum and that the diffusion coefficient for small monovalent extracellular ions is reduced by a factor of 2.4 (i.e. lambda 2) without regard to charge sign. The over-all effect of this is to increase the apparent strength of any ionic source in the cerebellum by a factor of lambda 2/alpha, about 12-fold in the present case, and to modify the time course of diffusion. 8. These conclusions confirm that the laws of macroscopic diffusion are closely obeyed in the cerebellum for small ions in the extracellular space, provided that volume fraction and tortuosity are explicitly taken into account. It is likely that these conclusions are generally applicable to other brain regions and other diffusing substances. PMID:7338810
Nicholson, C; Phillips, J M
1981-12-01
1. The validity of the macroscopic laws of ion diffusion was critically examined within the microenvironment of the extracellular space in the rat cerebellum using ion-selective micropipettes and ionophoretic point sources. 2. The concepts of volume averaging, volume fraction (alpha) and tortuosity (lambda) were defined and shown to be theoretically appropriate for quantifying diffusion in a complex medium such as the brain. 3. Diffusion studies were made with the cations tetramethylammonium and tetraethylammonium and the anions alpha-naphthalene sulphonate and hexafluoro-arsenate, all of which remained essentially extracellular during the measurements. Diffusion parameters were measured for a period of 50s and over distances of the order of 0.1 mm. 4. Measurements of the diffusion coefficients of the ions in agar gel gave values that were very close to those derivable from the literature, thus confirming the validity of the method. 5. Measurements in the cerebellum did not reveal any systematic influences of ionophoretic current strength, electrode separation, anisotropy, inhomogeneity, charge discrimination or uptake, within the limits tested. 6. The pooled data from measurements with all the ions gave alpha = 0.21 +/- 0.02 (mean +/- S.E. of mean) and lambda = 1.55 +/- 0.05 (mean +/- S.E. of mean). 7. These results show that the extracellular space occupies about 20% of the rat cerebellum and that the diffusion coefficient for small monovalent extracellular ions is reduced by a factor of 2.4 (i.e. lambda 2) without regard to charge sign. The over-all effect of this is to increase the apparent strength of any ionic source in the cerebellum by a factor of lambda 2/alpha, about 12-fold in the present case, and to modify the time course of diffusion. 8. These conclusions confirm that the laws of macroscopic diffusion are closely obeyed in the cerebellum for small ions in the extracellular space, provided that volume fraction and tortuosity are explicitly taken into account. It is likely that these conclusions are generally applicable to other brain regions and other diffusing substances. PMID:7338810
Effect of chain flexibility on master curve behavior for diffusion coefficient.
Budzien, Joanne; Heffernan, Julieanne V; McCoy, John D
2013-12-28
The diffusion coefficients of simple chain models are analyzed as a function of packing fraction, ?, and as a function of a parameter C that is the density raised to a power divided by temperature to look at scalar metrics to find master curves. The central feature in the analysis is the mapping onto an effective hard site diameter, d. For the molecular models lacking restrictions on dihedral angle (e.g., freely jointed), simple mappings of molecular potential to d work very well, and the reduced diffusion coefficient, D*, collapses into a single-valued function of ?. Although this does not work for the dihedral angle restriction case, assuming that d is inversely proportional to temperature to a power results in collapse behavior for an empirically selected value of the power. This is equivalent to D* being a single-valued function of C. The diffusion coefficient of a single-site penetrant in the chain systems also is found to be a scalar metric that can reduce the chain diffusion data for a given system to a single master curve. PMID:24387376
NASA Astrophysics Data System (ADS)
Liu, H.; Zhang, Y.; Zhou, Q.; Molz, F.
2005-12-01
Owing to the orders-of-magnitude slower flow velocity in the matrix and significantly larger matrix porosity (compared to fractures), matrix diffusion can significantly retard and dilute solute transport process in fractured rock.Therefore, this phenomenon is important for analyzing a variety of problems, including geological disposal of nuclear waste. Matrix diffusion coefficient values measured from small rock samples in the laboratory are generally used for modeling field-scale solute transport in fractured rock. However, by compiling results from a number of field tracer tests corresponding to different geological settings, this study demonstrates that the effective matrix diffusion coefficient at field scale is generally larger than that at lab scale and tends to increase with testing scale. Preliminary interpretations of this observation are investigated by performing numerical experiments for solute transport in flow paths having geometries consistent with percolation theories and characterized by local flow loops formed mainly by sub-fractures. The flow-path geometries under consideration could result in scale-dependent behavior of the effective matrix diffusion coefficient, with large values being observed at intermediate to large travel distances. Ignoring such values would to systematically under-estimating travel times in fractured rock environments.
Diffusion coefficient of a passive contaminant in a local MHD model of a turbulent accretion disc
Augusto Carballido; James M. Stone; James E. Pringle
2005-01-21
We calculate the radial diffusion coefficient for a passive contaminant in an accretion disc which is turbulent due to the action of the magnetorotational instability. Numerical MHD simulations are used to follow the evolution of a local patch of the disc using the shearing box formalism. A separate continuity equation for the mass fraction of contaminant is integrated along with the MHD system, and radial profiles of this fraction are obtained as a function of time. Solutions of a linear diffusion equation are fitted to the numerical measured profiles of the contaminant, treating the diffusion coefficient D as the fitting parameter. At early times, the value of D is found to vary, however once the contaminant is spread over scales comparable to the box size, it saturates at a steady value. The ratio of D to the transport coefficient of angular momentum due to shear stress is small. If D can be used as a proxy for the turbulent magnetic diffusivity, the effective magnetic Prandtl number P_eff=\
de Oliveira, Lucas Nonato; Sampaio, Francisco Glaildo Almeida; Moreira, Marcos Vasques; de Almeida, Adelaide
2014-08-01
In Fricke dosimetry, optical density measurements are performed some time after dosimeter irradiation. Values of the diffusion coefficient of Fe(3+) in Fricke Xylenol gel (FXG) are necessary for determining the spatial distribution of the absorbed dose from measurements of the optical density. Five sets of FXG dosimeters, kept at different constant temperatures, were exposed to collimated 6 MV photons. The optical density profile, proportional to the Fe(3+) concentration, at the boundary between irradiated and non-irradiated parts of each dosimeter was measured periodically over a period of 60 h. By comparing the experimental data with a function that accounts for the unobserved initial concentration profile of Fe(3+) in the FXG, we obtained diffusion coefficients 0.30±0.05, 0.40±0.05, 0.50±0.05, 0.60±0.05 and 0.80±0.05 mm(2)/h for the temperatures 283.0±0.5, 286.0±0.5, 289.0±0.5, 292.0±0.5, and 296.0±0.5 K, respectively. The activation energy of Fe(3+) diffusion in the gel, 0.54±0.06 eV, was determined from the temperature dependence of the diffusion coefficients. PMID:24836903
I. M. J. J. van de Ven-Lucassen; P. J. A. M. Kerkhof
1999-01-01
The Taylor dispersion technique is used to determine the diffusion coefficients of the ternary systems glucose + water + dilute methanol, ethanol, or acetone at 25 C and up to a glucose mole fraction of 0.065. The dispersion of the injected solutes is recorded by a differential refractometer and an ultraviolet-visible detector. The diffusion coefficients are calculated directly by fitting
M. F. Thomsen; C. K. Goertz; J. A. Van Allen
1977-01-01
The technique proposed by Thomsen et al. (1977) to determine the radial diffusion coefficient in Jupiter's inner magnetosphere from observations of energetic particle phase space density proflies across the satellite orbits is extended to permit the unique identification of the parameters Do and n, where the diffusion coefficient is assumed to be of the form D = DoL n. The
Duffy, Thomas S.
First-principles study of density, viscosity, and diffusion coefficients of liquid MgSiO3 partitioned into the liquid. Such enrichment of Fe increases the density of the liquid, thus allowing-principles study of density, viscosity, and diffusion coefficients of liquid MgSiO3 at conditions of the Earth
Kruk, D. [Faculty of Mathematics and Computer Science, University of Warmia and Mazury in Olsztyn, S?oneczna 54, PL-10710 Olsztyn (Poland); Universität Bayreuth, Experimentalphysik II, 95440 Bayreuth (Germany); Meier, R.; Rössler, E. A. [Universität Bayreuth, Experimentalphysik II, 95440 Bayreuth (Germany); Rachocki, A. [Institute of Molecular Physics, Polish Academy of Sciences, Smoluchowskiego 17, 60-179 Pozna? (Poland); Korpa?a, A. [Department of Biophysics, Jagiellonian University Medical College, ?azarza 16, 31-530 Kraków, Poland and Institute of Physics, Jagiellonian University, Reymonta 4, 30-059 Kraków (Poland); Singh, R. K. [Ionic Liquid and Solid State Ionics Laboratory, Department of Physics, Banaras Hindu University, Varanasi 221 005 (India)
2014-06-28
Field Cycling Nuclear Magnetic Resonance (FC NMR) relaxation studies are reported for three ionic liquids: 1-ethyl-3- methylimidazolium thiocyanate (EMIM-SCN, 220–258 K), 1-butyl-3-methylimidazolium tetrafluoroborate (BMIM-BF{sub 4}, 243–318 K), and 1-butyl-3-methylimidazolium hexafluorophosphate (BMIM-PF{sub 6}, 258–323 K). The dispersion of {sup 1}H spin-lattice relaxation rate R{sub 1}(?) is measured in the frequency range of 10 kHz–20 MHz, and the studies are complemented by {sup 19}F spin-lattice relaxation measurements on BMIM-PF{sub 6} in the corresponding frequency range. From the {sup 1}H relaxation results self-diffusion coefficients for the cation in EMIM-SCN, BMIM-BF{sub 4}, and BMIM-PF{sub 6} are determined. This is done by performing an analysis considering all relevant intra- and intermolecular relaxation contributions to the {sup 1}H spin-lattice relaxation as well as by benefiting from the universal low-frequency dispersion law characteristic of Fickian diffusion which yields, at low frequencies, a linear dependence of R{sub 1} on square root of frequency. From the {sup 19}F relaxation both anion and cation diffusion coefficients are determined for BMIM-PF{sub 6}. The diffusion coefficients obtained from FC NMR relaxometry are in good agreement with results reported from pulsed- field-gradient NMR. This shows that NMR relaxometry can be considered as an alternative route of determining diffusion coefficients of both cations and anions in ionic liquids.
Simulations of ion acceleration at non-relativistic shocks. III. Particle diffusion
Caprioli, D.; Spitkovsky, A., E-mail: caprioli@astro.princeton.edu [Department of Astrophysical Sciences, Princeton University, 4 Ivy Lane, Princeton, NJ 08544 (United States)
2014-10-10
We use large hybrid (kinetic-protons-fluid-electrons) simulations to investigate the transport of energetic particles in self-consistent electromagnetic configurations of collisionless shocks. In previous papers of this series, we showed that ion acceleration may be very efficient (up to 10%-20% in energy), and outlined how the streaming of energetic particles amplifies the upstream magnetic field. Here, we measure particle diffusion around shocks with different strengths, finding that the mean free path for pitch-angle scattering of energetic ions is comparable with their gyroradii calculated in the self-generated turbulence. For moderately strong shocks, magnetic field amplification proceeds in the quasi-linear regime, and particles diffuse according to the self-generated diffusion coefficient, i.e., the scattering rate depends only on the amount of energy in modes with wavelengths comparable with the particle gyroradius. For very strong shocks, instead, the magnetic field is amplified up to non-linear levels, with most of the energy in modes with wavelengths comparable to the gyroradii of highest-energy ions, and energetic particles experience Bohm-like diffusion in the amplified field. We also show how enhanced diffusion facilitates the return of energetic particles to the shock, thereby determining the maximum energy that can be achieved in a given time via diffusive shock acceleration. The parameterization of the diffusion coefficient that we derive can be used to introduce self-consistent microphysics into large-scale models of cosmic ray acceleration in astrophysical sources, such as supernova remnants and clusters of galaxies.
Stress enhanced diffusion of krypton ions in polycrystalline titanium
Nsengiyumva, S.; Raji, A. T.; Rivière, J. P.; Britton, D. T.; Härting, M.
2014-07-14
An experimental investigation on the mutual influence of pre-existing residual stress and point defect following ion implantation is presented. The study has been carried out using polycrystalline titanium samples energetically implanted with krypton ions at different fluences. Ion beam analysis was used to determine the concentration profile of the injected krypton ions, while synchrotron X-ray diffraction has been used for stress determination. Ion beam analysis and synchrotron X-ray diffraction stress profile measurements of the implanted titanium samples show a clear evidence of stress-enhanced diffusion of krypton ions in titanium. It is further observed that for the titanium samples implanted at low fluence, ion implantation modifies the pre-existing residual stress through the introduction of point and open volume defects. The stress fields resulting from the ion implantation act to drift the krypton inclusions towards the surface of titanium.
Mechanisms of Stochastic Diffusion of Energetic Ions in Spherical Tori
Ya.I. Kolesnichenko; R.B. White; Yu.V. Yakovenko
2001-01-18
Stochastic diffusion of the energetic ions in spherical tori is considered. The following issues are addressed: (I) Goldston-White-Boozer diffusion in a rippled field; (ii) cyclotron-resonance-induced diffusion caused by the ripple; (iii) effects of non-conservation of the magnetic moment in an axisymmetric field. It is found that the stochastic diffusion in spherical tori with a weak magnetic field has a number of peculiarities in comparison with conventional tokamaks; in particular, it is characterized by an increased role of mechanisms associated with non-conservation of the particle magnetic moment. It is concluded that in current experiments on National Spherical Torus eXperiment (NSTX) the stochastic diffusion does not have a considerable influence on the confinement of energetic ions.
Ion beam microtexturing and enhanced surface diffusion
NASA Technical Reports Server (NTRS)
Robinson, R. S.
1982-01-01
Ion beam interactions with solid surfaces are discussed with particular emphasis on microtexturing induced by the deliberate deposition of controllable amounts of an impurity material onto a solid surface while simultaneously sputtering the surface with an ion beam. Experimental study of the optical properties of microtextured surfaces is described. Measurements of both absorptance as a function of wavelength and emissivity are presented. A computer code is described that models the sputtering and ion reflection processes involved in microtexture formation.
A new in-situ method to determine the apparent gas diffusion coefficient of soils
NASA Astrophysics Data System (ADS)
Laemmel, Thomas; Paulus, Sinikka; Schack-Kirchner, Helmer; Maier, Martin
2015-04-01
Soil aeration is an important factor for the biological activity in the soil and soil respiration. Generally, gas exchange between soil and atmosphere is assumed to be governed by diffusion and Fick's Law is used to describe the fluxes in the soil. The "apparent soil gas diffusion coefficient" represents the proportional factor between the flux and the gas concentration gradient in the soil and reflects the ability of the soil to "transport passively" gases through the soil. One common way to determine this coefficient is to take core samples in the field and determine it in the lab. Unfortunately this method is destructive and needs laborious field work and can only reflect a small fraction of the whole soil. As a consequence insecurity about the resulting effective diffusivity on the profile scale must remain. We developed a new in-situ method using new gas sampling device, tracer gas and inverse soil gas modelling. The gas sampling device contains several sampling depths and can be easily installed into vertical holes of an auger, which allows for fast installation of the system. At the lower end of the device inert tracer gas is injected continuously. The tracer gas diffuses into the surrounding soil. The resulting distribution of the tracer gas concentrations is used to deduce the diffusivity profile of the soil. For Finite Element Modeling of the gas sampling device/soil system the program COMSOL is used. We will present the results of a field campaign comparing the new in-situ method with lab measurements on soil cores. The new sampling pole has several interesting advantages: it can be used in-situ and over a long time; so it allows following modifications of diffusion coefficients in interaction with rain but also vegetation cycle and wind.
Thermal Expansion and Diffusion Coefficients of Carbon Nanotube-Polymer Composites
NASA Technical Reports Server (NTRS)
Wei, Chengyu; Srivastava, Deepak; Cho, Kyeongjae; Biegel, Bryan (Technical Monitor)
2001-01-01
Classical molecular dynamics (MD) simulations employing Brenner potential for intra-nanotube interactions and van der Waals forces for polymer-nanotube interface have been used to investigate thermal expansion and diffusion characteristics of carbon nanotube-polyethylene composites. Addition of carbon nanotubes to polymer matrix is found to significantly increase the glass transition temperature Tg, and thermal expansion and diffusion coefficients in the composite above Tg. The increase has been attributed to the temperature dependent increase of the excluded volume for the polymer chains, and the findings could have implications in the composite processing, coating and painting applications.
Ken Yoshida; Nobuyuki Matubayasi; Masaru Nakahara
2009-01-01
Self-diffusion coefficients D for benzene and cyclohexane are determined by using the proton pulsed-field-gradient spin echo (PGSE) method at high temperatures of 150–400 °C and in the low-density (0.007–0.21 and 0.005–0.15 g cm?3 for benzene and cyclohexane, respectively), one-phase region. For benzene, the density-diffusivity product in the zero-density limit divided by the square root of the absolute temperature, (?D)0\\/T is smaller than
NASA Astrophysics Data System (ADS)
Charsooghi, Mohammad A.; Akhlaghi, Ehsan A.; Tavaddod, Sharareh; Khalesifard, H. R.
2011-02-01
We developed a graphical user interface, MATLAB based program to calculate the translational diffusion coefficients in three dimensions for a single diffusing particle, suspended inside a fluid. When the particles are not spherical, in addition to their translational motion also a rotational freedom is considered for them and in addition to the previous translational diffusion coefficients a planar rotational diffusion coefficient can be calculated in this program. Time averaging and ensemble averaging over the particle displacements are taken to calculate the mean square displacement variations in time and so the diffusion coefficients. To monitor the random motion of non-spherical particles a reference frame is used that the particle just have translational motion in it. We call it the body frame that is just like the particle rotates about the z-axis of the lab frame. Some statistical analysis, such as velocity autocorrelation function and histogram of displacements for the particle either in the lab or body frames, are available in the program. Program also calculates theoretical values of the diffusion coefficients for particles of some basic geometrical shapes; sphere, spheroid and cylinder, when other diffusion parameters like temperature and fluid viscosity coefficient can be adjusted. Program summaryProgram title: KOJA Catalogue identifier: AEHK_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEHK_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 48 021 No. of bytes in distributed program, including test data, etc.: 1 310 320 Distribution format: tar.gz Programming language: MatLab (MathWorks Inc.) version 7.6 or higher. Statistics Toolbox and Curve Fitting Toolbox required. Computer: Tested on windows and linux, but generally it would work on any computer running MatLab (MathWorks Inc.). There is a bug in windows 7, if the user is not the administrator sometimes the program was not able to overwrite some internal files. Operating system: Any supporting MatLab (MathWorks Inc.) v7.6 or higher. RAM: About eight times that of loaded data Classification: 12 Nature of problem: In many areas of physics, knowing diffusion coefficients is vital and gives useful information about the physical properties of diffusive particles and the environment. In many cases a diffusive particle is not a sphere and has rotation during its movements. In these cases information about a particle's trajectory both in lab and body frame would be useful. Also some statistical analysis is needed to obtain more information about a particle's motion. Solution method: This program tries to gather all required tools to analyse raw data from the Brownian motion of a diffusing particle. Ability to switch between different methods of calculation of mean square displacement to find diffusion coefficients depends on the correlations between data points. There are three methods in the program: time average, ensemble average and their combinations. A linear fit is done to measure Diffusion Coefficient (D), the weight and fraction of data points is controllable. Given physical properties of the system, the program can calculates D theoretically for some basic geometrical shapes; sphere, spheroid and cylinder. In the case of non-spherical particles if data of rotation is available, the code can calculate trajectory and diffusion also in body frame. There are more statistical tools available in the program, such as histogram and autocorrelation function to obtain more information e.g. relaxation time to ideal diffusion motion. Code uses log-log diagram of mean square displacement (MSD) to calculate the amount of deviation from normal diffusion to sub- or super-diffusion. Running time: It is dependent on the input data, but for typical data in the order of mega bytes, it would take tens of minutes.
Choi, Choong Gon; Kim, Jeong Kon; Yun, Sung-Cheol; Jahng, Geon-Ho; Jeong, Ha-Kyu; Kim, Eun Ju
2015-01-01
Objective To validate the usefulness of a diffusional anisotropic capillary array phantom and to investigate the effects of diffusion tensor imaging (DTI) parameter changes on diffusion fractional anisotropy (FA) and apparent diffusion coefficient (ADC) using the phantom. Materials and Methods Diffusion tensor imaging of a capillary array phantom was performed with imaging parameter changes, including voxel size, number of sensitivity encoding (SENSE) factor, echo time (TE), number of signal acquisitions, b-value, and number of diffusion gradient directions (NDGD), one-at-a-time in a stepwise-incremental fashion. We repeated the entire series of DTI scans thrice. The coefficients of variation (CoV) were evaluated for FA and ADC, and the correlation between each MR imaging parameter and the corresponding FA and ADC was evaluated using Spearman's correlation analysis. Results The capillary array phantom CoVs of FA and ADC were 7.1% and 2.4%, respectively. There were significant correlations between FA and SENSE factor, TE, b-value, and NDGD, as well as significant correlations between ADC and SENSE factor, TE, and b-value. Conclusion A capillary array phantom enables repeated measurements of FA and ADC. Both FA and ADC can vary when certain parameters are changed during diffusion experiments. We suggest that the capillary array phantom can be used for quality control in longitudinal or multicenter clinical studies. PMID:25741191
A Monte Carlo model for determination of binary diffusion coefficients in gases
Panarese, A. [Department Physics, University of Bari, Bari (Italy); Bruno, D.; Colonna, G. [CNR IMIP Bari (Italy); Diomede, P. [Department Chemistry, University of Bari, Bari (Italy); Laricchiuta, A. [CNR IMIP Bari (Italy); Longo, S., E-mail: savino.longo@ba.imip.cnr.i [Department Chemistry, University of Bari, Bari (Italy); CNR IMIP Bari (Italy); Capitelli, M. [Department Chemistry, University of Bari, Bari (Italy); CNR IMIP Bari (Italy)
2011-06-20
A Monte Carlo method has been developed for the calculation of binary diffusion coefficients in gas mixtures. The method is based on the stochastic solution of the linear Boltzmann equation obtained for the transport of one component in a thermal bath of the second one. Anisotropic scattering is included by calculating the classical deflection angle in binary collisions under isotropic potential. Model results are compared to accurate solutions of the Chapman-Enskog equation in the first and higher orders. We have selected two different cases, H{sub 2} in H{sub 2} and O in O{sub 2}, assuming rigid spheres or using a model phenomenological potential. Diffusion coefficients, calculated in the proposed approach, are found in close agreement with Chapman-Enskog results in all the cases considered, the deviations being reduced using higher order approximations.
The Influence of Different Turbulence Models on the Diffusion Coefficients of Energetic Particles
Hussein, Mohammad; Shalchi, Andreas
2015-01-01
We explore the influence of turbulence on the transport of energetic particles by using test-particle simulations. We compute parallel and perpendicular diffusion coefficients for two-component turbulence, isotropic turbulence, a model based on Goldreich-Sridhar scaling, noisy reduced magnetohydrodynamic turbulence, and a noisy slab model. We show that diffusion coefficients have a similar rigidity dependence regardless which turbulence model is used and, thus, we conclude that the influence of turbulence on particle transport is not as strong as originally thought. Only fundamental quantities such as particle rigidity and the Kubo number are relevant. In the current paper we also confirm the unified nonlinear transport theory for noisy slab turbulence. To double-check the validity and accuracy of our numerical results, we use a second test-particle code. We show that both codes provide very similar results confirming the validity of our conclusions.
Determination of the Solute Diffusion Coefficient by the Droplet Migration Method
Shan Liu; Jing Teng; Jeongyun Choi
2007-07-01
Further analysis of droplet migration in a temperature gradient field indicates that different terms can be used to evaluate the solute diffusion coefficient in liquid (D{sub L}) and that there exists a characteristic curve that can describe the motion of all the droplets for a given composition and temperature gradient. Critical experiments are subsequently conducted in succinonitrile (SCN)-salol and SCN-camphor transparent alloys in order to observe dynamic migration processes of a number of droplets. The derived diffusion coefficients from different terms are the same within experimental error. For SCN-salol alloys, D{sub L} = (0.69 {+-} 0.05) x 10{sup -3} mm{sup 2}/s, and for SCN-camphor alloys, D{sub L} = (0.24 {+-} 0.02) x 10{sup -3} mm{sup 2}/s.
The influence of different turbulence models on the diffusion coefficients of energetic particles
NASA Astrophysics Data System (ADS)
Hussein, M.; Tautz, R. C.; Shalchi, A.
2015-06-01
We explore the influence of turbulence on the transport of energetic particles by using test particle simulations. We compute parallel and perpendicular diffusion coefficients for two-component turbulence, isotropic turbulence, a model based on Goldreich-Sridhar scaling, noisy reduced magnetohydrodynamic turbulence, and a noisy slab model. We show that diffusion coefficients have a similar rigidity dependence regardless which turbulence model is used, and thus, we conclude that the influence of turbulence on particle transport is not as strong as originally thought. Only fundamental quantities such as particle rigidity and the Kubo number are relevant. In the current paper we also confirm the unified nonlinear transport theory for noisy slab turbulence. To double check the validity and accuracy of our numerical results, we use a second test particle code. We show that both codes provide very similar results confirming the validity of our conclusions.
Bounce-averaged diffusion coefficients in the Tsyganenko field model for oblique chorus waves
NASA Astrophysics Data System (ADS)
Orlova, Ksenia; Shprits, Yuri
2010-05-01
The assessment of the importance of various acceleration and loss mechanisms of relativistic electrons is crucially important for predicting and understanding the dynamics of the radiation belts. It is commonly accepted that resonant wave-particle interactions play a major role in these processes. Bounce-averaged momentum, pitch-angle, and mixed diffusion coefficients, calculated using various models of spectral properties of waves and spatial distributions of plasma waves, are used in modern radiation belt codes as inputs. The diffusion coefficients for radiation belt models are usually computed using the quasi-linear theory and are bounce-averaged in the dipole magnetic field. During magnetic storms, however, the configuration and the value of the magnetic field are significantly changed, which may potentially influence the scattering rates. The purpose of this work is to estimate the role of a realistic magnetic field model on the bounce-averaged diffusion coefficients. We present the results of computations of bounce-averaged quasi-linear momentum Dpp, pitch-angle D?? and mixed pitch angle-momentum D?p diffusion coefficients in the Tsyganenko magnetic field model. We assume that electrons are scattered by oblique whistler mode chorus waves of Gaussian spread of wave power spectral density and wave normal angle outside the plasmasphere. The scattering rates are computed using the full electromagnetic dispersion relation and up to ±5-order resonance condition including Landau resonance. The diffusion coefficients are calculated for quiet conditions (Kp=2) and storm-time conditions (Kp=6) for the day and night sides. We compare scattering rates bounce-averaged in the Tsyganenko field model with those in the dipole field and discuss the differences. The results are followed by a physical explanation of how the magnetic field model can change the bounce-averaged scattering rates. The calculations show that, during active conditions, the pitch-angle scattering by chorus waves in the realistic magnetic field can diffuse relativistic electrons to the loss cone not only on the day side, as was previously shown, but also on the night side. This explains the often observed microburst precipitation on the night side. Our study shows that while there are still a number of unknown parameters that determine scattering rates, inclusion of bounce-averaging in the realistic field will be crucially important for future radiation belt modeling.
Nahar, Sultana Nurun
ELECTRON-ION RECOMBINATION RATE COEFFICIENTS AND PHOTOIONIZATION CROSS SECTIONS FOR ASTROPHYSICALLY photoionization cross sections and recombination rate coefficients for all fine-structure levels up to n 10, about cross sections PI and RC are computed using an identical wave function expansion for both processes
Yaxiong Gu; Seiichi Washio
2010-01-01
In this paper it is reported that the diffusion coefficient of N2 gas in a rubber sheet is derived based on combination of measurement using U-tube and laser heterodyne interferometry and one dimension diffusion theory successfully. Experiments were carried out under different pressure and temperature conditions to investigate the dependency of diffusion of gas in rubber. A conclusion has been
Test of the Universal Scaling Law for the Diffusion Coefficient in Liquid Metals
Hoyt, J. J. [Sandia National Laboratories, MS 9161, P. O. Box 969, Livermore, California 94551-0969 (United States)] [Sandia National Laboratories, MS 9161, P. O. Box 969, Livermore, California 94551-0969 (United States); Asta, Mark [Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208 (United States)] [Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208 (United States); Sadigh, Babak [Lawrence Livermore National Laboratory, Livermore, California 94550 (United States)] [Lawrence Livermore National Laboratory, Livermore, California 94550 (United States)
2000-07-17
The recently proposed scaling law relating the diffusion coefficient and the excess entropy of a liquid [M. Dzugutov, Nature (London) 381, 137 (1996)] is tested for several metals using molecular dynamics simulations. Interatomic potentials derived from the embedded atom method are used to study Ag, Au, Cu, Ni, Pd, Pt, Ni{sub 3}Al , and AuPt and the angular dependent Stillinger-Weber form is used to investigate Si. (c) 2000 The American Physical Society.
Measurement of the diffusion coefficient of acetone in succinonitrile at its melting point
NASA Astrophysics Data System (ADS)
Chopra, M. A.; Glicksman, M. E.; Singh, N. B.
1988-10-01
The diffusion coefficient of acetone in liquid succinonitrile at 331.1 K was determined using the method of McBain and Dawson (1935). Only dilute mixtures of SCN-acetone were studied. The interdiffusion constant was determined to be 0.0000127 sq cm/s and was essentially independent of the acetone concentration over the range investigated (0.5 to 18 mol pct acetone).
A new method for determining binary diffusion coefficients in dilute condensable vapors
C. C. M. Luijten; K. J. Bosschaart; M. E. H. Van Dongen
1997-01-01
A new method for determining binary diffusion coefficients in dilute condensable vapors is outlined. The method is based on condensational droplet growth. It can be used in a large range of pressures and temperatures, even below the freezing point of the condensing vapor. Results are obtained for the mixtures water-nitrogen and water-helium in the pressure range 11–44 bar. The product
R. P. Bukata; A. G. Bobba
1983-01-01
An iterative least-squares optimization technique is utilized in conjunction with a one-dimensional representation of the mass transport equation to generate theoretical210Pb concentration\\/depth profiles beneath the water-sediment interface that are best-fit approximations to directly measured210Pb concentration\\/depth profiles at various locations within the Great Lakes system. The outputs of such an optimization analysis are the diffusion coefficients D M (molecular) and D
E. Ray; P. Bunton; J. A. Pojman
2007-01-01
A simple technique for determining the diffusion coefficient between two miscible liquids is presented based on observing concentration-dependent ultraviolet-excited fluorescence using a digital camera. The ultraviolet-excited visible fluorescence of corn syrup is proportional to the concentration of the syrup. The variation of fluorescence with distance from the transition zone between the fluids is fit by the Fick's law solution to
S. F. Zhang; A. Splendiani; L. M. Freitas dos Santos; A. G. Livingston
1998-01-01
A novel technique has been used to determine the effective diffusion coefficients for 1,1,2-trichloroethane (TCE), a nonreacting tracer, in biofilms growing on the external surface of a silicone rubber membrane tube during degradation of 1,2-dichloroethane (DCE) by Xanthobacter autotrophicus GJ10 and monochlorobenzene (MCB) by Pseudomonas JS150. Experiments were carried out in a single tube extractive membrane bioreactor (STEMB), whose configuration
Measurement of the diffusion coefficient of acetone in succinonitrile at its melting point
NASA Technical Reports Server (NTRS)
Chopra, M. A.; Glicksman, M. E.; Singh, N. B.
1988-01-01
The diffusion coefficient of acetone in liquid succinonitrile at 331.1 K was determined using the method of McBain and Dawson (1935). Only dilute mixtures of SCN-acetone were studied. The interdiffusion constant was determined to be 0.0000127 sq cm/s and was essentially independent of the acetone concentration over the range investigated (0.5 to 18 mol pct acetone).
The effective diffusion coefficient in a one-dimensional discrete lattice with the inclusions
NASA Astrophysics Data System (ADS)
Kalnin, J. R.; Kotomin, E. A.
2015-08-01
The expression for the effective diffusion coefficient in one-dimensional discrete lattice model of random walks in matrix with inclusions and unequal hopping lengths is derived. This allowed us to suggest a physical interpretation to the concentration jump - ad hoc parameter commonly used in extended effective medium theory for accounting particle partial reflection on the boundary matrix-inclusion. The analytical results obtained are in excellent agreement with computer simulations.
The effect of diffuser angle on the discharge coefficient of a miniature critical nozzle
NASA Astrophysics Data System (ADS)
Kim, Jae Hyung; Kim, Heuy Dong; Setoguchi, Toshiaki
2010-06-01
Many researches on critical nozzles have been performed to accurately measure the mass flow rate of gas flow, and to standardize the performance as a flow meter. Recently, much interest is being paid on the measurement of very small mass flow rate in industry fields such as MEMS applications. However, the design and performance data of the critical nozzles obtained so far have been applied mainly to the critical nozzles with comparatively large diameters, and the works available on miniature critical nozzles are lacking. In the present study, a computational fluid dynamics method has been applied to investigate the influence of the diffuser angle on discharge coefficient of the miniature critical nozzles. In computations, the throat diameter of critical nozzle is varied from 0.2 mm to 5.0 mm and the diffuser angle is changed from 2 deg to 8 deg. The computational results are validated with some experimental data available. The results show that the present computational results predict appropriately the discharge coefficient of the gas flows through miniature critical nozzles. It is known that the discharge coefficient is considerably influenced by the diffuser angle, as the throat diameter of nozzle becomes small below a certain value. This implies that the miniature critical nozzles should be carefully designed.
Higuchi, Akon; Ling-Yi, Ho; Huang, Li Ya; Chen, Hui; Chen, Yi-Jen; Ling, Qing-Dong
2010-01-01
Time-lapse digital images were taken every 30 s of PC12 cells cultured on polystyrene dishes, collagen-coated dishes and poly(L-lysine)-coated dishes in high-serum medium, low-serum medium and neurite outgrowth factor (NGF)-containing medium to investigate their diffusion coefficients (i.e., self-diffusion coefficients), D and specific movement (i.e., specific frequent movement) using image analysis and Fast Fourier Transform (FFT) analysis. D for these cells was found to fluctuate as a function of time, D varying between 0 and 0.08 microm(2)/s. The trend observed upon examination of average D values was: D in high-serum medium > or = D in low-serum medium > or = D in NGF-containing medium. Image analysis and FFT analysis of single cells cultured on polymeric dishes in these three media did not have any specific frequency of cell movement between 0 and 0.0167 Hz. The high diffusion coefficient and high amplitude of power spectra of PC12 cells in high-serum medium might be attributed to the high energy necessary for their continual suppression of the mitogen-activated protein kinase (MAPK) cascade and for them to maintain their undifferentiated state. PMID:20537240
Yang, Shan; Yan, Binggong; Li, Tao; Zhu, Jing; Lu, Li; Zeng, Kaiyang
2015-09-14
This paper presents in situ characterization of lithium-ion diffusion at nano- to micro-meter scales in a Li-rich layered oxide thin film cathode under external bias by using Electrochemical Strain Microscopy (ESM) and Atomic Force Microscopy (AFM) techniques. The local variations of the diffusion coefficient are calculated and visualized from the ESM images. The results indicate that the Li-ion movement is closely correlated with the changes in the surface topography when the Li-rich cathode is subjected to an external bias. Furthermore, bias-induced Li-ion redistribution is partially reversible. Topography evolution due to Li-ion diffusion and relaxation behaviour are observed. The results from this in situ study provide the insight into the Li-ion diffusion mechanism in the cathode material and pave the way for studying the details of the diffusion-related phenomenon in Li-ion battery materials. PMID:26242479
Minority carrier diffusion lengths and absorption coefficients in silicon sheet material
NASA Technical Reports Server (NTRS)
Dumas, K. A.; Swimm, R. T.
1980-01-01
Most of the methods which have been developed for the measurement of the minority carrier diffusion length of silicon wafers require that the material have either a Schottky or an ohmic contact. The surface photovoltage (SPV) technique is an exception. The SPV technique could, therefore, become a valuable diagnostic tool in connection with current efforts to develop low-cost processes for the production of solar cells. The technique depends on a knowledge of the optical absorption coefficient. The considered investigation is concerned with a reevaluation of the absorption coefficient as a function of silicon processing. A comparison of absorption coefficient values showed these values to be relatively consistent from sample to sample, and independent of the sample growth method.
Molecular dynamics calculation of rotational diffusion coefficient of a carbon nanotube in fluid.
Cao, Bing-Yang; Dong, Ruo-Yu
2014-01-21
Rotational diffusion processes are correlated with nanoparticle visualization and manipulation techniques, widely used in nanocomposites, nanofluids, bioscience, and so on. However, a systematical methodology of deriving this diffusivity is still lacking. In the current work, three molecular dynamics (MD) schemes, including equilibrium (Green-Kubo formula and Einstein relation) and nonequilibrium (Einstein-Smoluchowski relation) methods, are developed to calculate the rotational diffusion coefficient, taking a single rigid carbon nanotube in fluid argon as a case. We can conclude that the three methods produce same results on the basis of plenty of data with variation of the calculation parameters (tube length, diameter, fluid temperature, density, and viscosity), indicative of the validity and accuracy of the MD simulations. However, these results have a non-negligible deviation from the theoretical predictions of Tirado et al. [J. Chem. Phys. 81, 2047 (1984)], which may come from several unrevealed factors of the theory. The three MD methods proposed in this paper can also be applied to other situations of calculating rotational diffusion coefficient. PMID:25669403
Kramers' diffusion theory applied to gating kinetics of voltage-dependent ion channels.
Sigg, D; Qian, H; Bezanilla, F
1999-01-01
Kramers' diffusion theory of reaction rates in the condensed phase is considered as an alternative to the traditional discrete-state Markov (DSM) model in describing ion channel gating current kinetics. Diffusion theory can be expected to be particularly relevant in describing high-frequency (>100 kHz) events in channel activation. The generalized voltage sensor of a voltage-dependent ion channel is treated as a Brownian motion particle undergoing spatial diffusion along a one-dimensional energy landscape. Two classes of energy landscapes are considered. The first class contains large barriers, which give rise to gating currents with two distinct time scales: the usual low-frequency decay, which can modeled with a DSM scheme, and a high-frequency component arising from intrastate relaxation. Large depolarizations reduce potential barriers to such a degree that activation rates are diffusion limited, causing the two time scales to merge. Landscapes of the second class are either featureless or contain barriers that are small compared to kT; these are termed "drift landscapes." These landscapes require a larger friction coefficient to generate slow gating kinetics. The high-frequency component that appears with barrier models is not present in pure drift motion. The presence of a high-frequency component can be tested experimentally with large-bandwidth recordings of gating currents. Topics such as frequency domain analysis, spatial dependence of the friction coefficient, methods for determining the adequacy of a DSM model, and the development of physical models of gating are explored. PMID:9929481
Effect of molecular weight on ion diffusion and transference number in poly(ethylene oxide)
NASA Astrophysics Data System (ADS)
Timachova, Ksenia; Balsara, Nitash
2015-03-01
Solid polymer electrolytes are of great interest for their potential use in high specific energy, solid-state batteries, however, salt transport properties in polymer electrolytes have not been comprehensively addressed over a wide range of molecular weights. Poly(ethylene oxide) (PEO) has been the most widely studied polymer electrolyte due to its high solvation of lithium salts and low glass transition temperature. This study presents measurements of the transport properties of lithium bis(trifluoromethanesulfone)imide (LiTFSI) in PEO at both the high concentration present in functional electrolytes and in the dilute limit for a large range of PEO molecular weights. Individual diffusion coefficients of the Li + and TFSI- ions were measured using pulsed-field gradient nuclear magnetic resonance and the cation transference number was calculated. The diffusion coefficients, transference number, and conductivity as a function of molecular weight and salt concentration provide a complete set of transport properties for PEO.
Causal Baryon Diffusion and Colored Noise for Heavy Ion Collisions
J. I. Kapusta; C. Young
2014-09-05
We construct a model for baryon diffusion which has the desired properties of analyticity and causality. The model also has the desired property that the noise correlation function is not a Dirac delta function in space and time. The model depends on three time constants in addition to the diffusion constant. This description can be incorporated into 2nd order viscous hydrodynamical models of heavy ion collisions.
Film-pore diffusion model for the fixed-bed sorption of copper and cadmium ions onto bone char.
Ko, D C; Porter, J F; McKay, G
2001-11-01
The sorption of copper and cadmium ions onto bone char in single component systems has been studied using fixed-bed column adsorbers. The effects of solution flowrate, initial metal ion concentration and bone char particle size have been studied. A film-pore diffusion model has been developed to predict the fixed-bed breakthrough curves for the two metal ions. A sensitivity analysis has been carried out to investigate the influence of the external mass transfer coefficient (film resistance), the effective diffusion coefficient (pore diffusion) and the solid phase loading capacity. It is found that under the experimental conditions employed in the study, film diffusional resistance was low and the Biot numbers were relatively high. Furthermore, a constant effective pore diffusivity was not sufficient to correlate the breakthrough curves accurately and a variable dependent effective diffusivity was required; suggesting a possible contribution from surface diffusion. Since the metal ion-bone char systems take a long time to reach equilibrium, the solid phase loading capacity, as predicted by the "best-fit" equilibrium isotherm, was not suitable for use in the diffusional mass transport model and the mass balance solid phase loading was utilised instead. PMID:12230170
Sun, Jia; Zhang, Xiao-Peng; Li, Xiao-Ting; Tang, Lei; Cui, Yong; Zhang, Xiao-Yan; Sun, Ying-Shi
2014-01-01
In vivo imaging studies in animal models are hindered by variables that contribute to poor image quality and measurement reliability. As such we sought to improve the diffusion coefficient (ADC) of an orthotopic mouse model of gastric cancer in diffusion-weighted images (DWI) using alginate moulding and Ultrasonic coupling medium. BGC-823 human gastric cancer cells were subcutaneously injected into the abdomen of nude mice and 1?mm3 primary tumour was orthotopically transplanted. Alginate and coupling medium were applied to the mice and MRI (T2 and DWI) was performed for 6 weeks. Regions of interest (ROI) were drawn and liver and tumour ADC were evaluated. Using alginate moulding, the mean quality total score of DW imaging was 8.53; however, in control animals this value was 5.20 (p < 0.001). The coefficient of variation of ADC of liver in experimental and control groups were 0.071 and 0.270 (p < 0.001), respectively, suggesting this method may be helpful for DWI studies of important human diseases such as gastric cancer. PMID:25123166
Colloids electrophoresis for strong and weak ion diffusivity
Giovanni Giupponi; Ignacio Pagonabarraga
2011-05-30
We study the electrophoretic flow of suspensions of charged colloids with a mesoscopic method that allows to model generic experimental conditions. We show that for highly charged colloids their electrophoretic mobility increases significantly and displays a mobility maximum on increasing the colloidal charge for all salt concentrations. The electrophoretic mobility of highly charged colloids is also enhanced significantly when ion advection is dominant, leading to a strong heterogeneity in the local electrophoretic response especially at low salt concentration, when ion diffuse layers overlap.
Relativistic diffusion and heavy-ion collisions
Rajeev S. Bhalerao; Sourendu Gupta
2009-02-24
We study first and second order theories of relativistic diffusion coupled to hydrodynamics under the approximation, valid at mid-rapidity in the RHIC and LHC, that conserved number densities are much smaller than the entropy density. We identify experimentally accessible quantities of interest, and show that the first and second order theories may lead to radically different evolutions of these quantities. In the first order theory the memory of the initial state is almost completely washed out, whereas in the second order theory it is possible that freezeout occurs at a time when transient dynamics is still on, and the memory of the initial state remains. There are observational consequences which we touch upon. In the first order theory, and for initial conditions when the second order theory mimics the first order, one may be able to put a bound on the diffusion constant.
Autrey, S Thomas (BATTELLE (PACIFIC NW LAB)); Camaioni, Donald M. (BATTELLE (PACIFIC NW LAB)); Kandanarachchi, Pramod H. (ASSOC WESTERN UNIVERSITY); Franz, James A. (BATTELLE (PACIFIC NW LAB))
2000-12-01
The diffusion coefficients of a benzyl-, sec-phenethyl-, and diphenylmethyl alcohol and the corresponding aryl carbonyls (benzaldehyde, acetophenone and benzophenone) were measured by Taylor's dispersion method in both ethyl and isopropyl alcohol. The experimental values are compared to published transient grating measurements of the corresponding aryl ketyl radicals (benzyl-, sec-phenethyl-, and diphenylmethyl-ketyl radical). In general, the diffusion coefficient of the aryl alcohols and the corresponding aryl ketyl radicals are equivalent within experimental error. This work shows that the diffusion of ketyl radicals is not anomalously slow and that aryl alcohols are significantly better models than the corresponding aryl ketones for analyzing the diffusion of aryl ketyl radicals in both ethyl and isopropyl alcohol. Empirical estimates of the diffusion coefficients of aryl alcohols using the Spernol-Wirtz and Wilke-Chang modifications to the Stokes-Einstein diffusion equation do not adequately account for the interactions between the aryl ketyl radicals or aryl alcohols with the hydroxylic solvents ethyl and isopropyl alcohol. The excellent agreement between the experimental diffusion coefficients of the aryl alcohols and the corresponding ketyl radicals show that the transient grating method can provide accurate estimates for the diffusion coefficients of transient species. This is especially important when a stable model is not available, for example the pyranyl radical.
NASA Technical Reports Server (NTRS)
Goldstein, M. L.
1977-01-01
In a study of cosmic ray propagation in interstellar and interplanetary space, a perturbed orbit resonant scattering theory for pitch angle diffusion in a slab model of magnetostatic turbulence is slightly generalized and used to compute the diffusion coefficient for spatial propagation parallel to the mean magnetic field. This diffusion coefficient has been useful for describing the solar modulation of the galactic cosmic rays, and for explaining the diffusive phase in solar flares in which the initial anisotropy of the particle distribution decays to isotropy.
Febo-Ayala, Wilma; Holland, David P.; Bradley, Scott A.; Thompson, David H.
2008-01-01
We report the lateral diffusion properties of 2,2?-di-O-decyl-3,3?-di-O-(eicosanyl)-bis-(rac-glycero)-1,1?-diphosphocholine (C20BAS) using pulsed-field gradient NMR (PFG-NMR) and fluorescence recovery after photobleaching (FRAP). C20BAS membranes display a melting transition at Tm = 15.7 °C as determined by differential scanning calorimetry and 31P NMR chemical shift anisotropy. The lateral diffusion coefficient of C20BAS, as determined by PFG-NMR and FRAP, at 25 °C, were DPFG-NMR = 1.9 ± 0.6 × 10?8 cm2/s and DFRAP C20BAS = 1.2 ± 0.1 × 10?8 cm2/s, respectively. In comparison, the lateral diffusion coefficient of the monopolar phospholipid, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC), was 1.8 ± 0.9 × 10?8 and 2.5 ± 0.9 × 10?8 cm2/s using PFG-NMR and FRAP, respectively. PMID:17465580
Augustyniak, Rafal; Ferrage, Fabien; Paquin, Raphaël; Lequin, Olivier; Bodenhausen, Geoffrey
2011-07-01
We present new NMR methods to measure slow translational diffusion coefficients of biomolecules. Like the heteronuclear stimulated echo experiment (XSTE), these new methods rely on the storage of information about spatial localization during the diffusion delay as longitudinal polarization of nuclei with long T(1) such as nitrogen-15. The new BEST-XSTE sequence combines features of Band-selective Excitation Short-Transient (BEST) and XSTE methods. By avoiding the saturation of all protons except those of amide groups, one can increase the sensitivity by 45% in small proteins. The new experiment which combines band-Selective Optimized Flip-Angle Short-Transient with XSTE (SOFAST-XSTE) offers an alternative when very short recovery delays are desired. A modification of the HSQC-edited version of the XSTE experiment offers enhanced sensitivity and access to higher resolution in the indirect dimension. These new methods have been applied to detect changes in diffusion coefficients due to dimerization or proteolysis of Engrailed 2, a partially disordered protein. PMID:21603954
Xu, Jing; Zhang, Jianshun S; Liu, Xiaoyu; Gao, Zhi
2012-06-01
The partition and effective diffusion coefficients of formaldehyde were measured for three materials (conventional gypsum wallboard, "green" gypsum wallboard, and "green" carpet) under three relative humidity (RH) conditions (20%, 50%, and 70% RH). The "green" materials contained recycled materials and were friendly to environment. A dynamic dual-chamber test method was used. Results showed that a higher relative humidity led to a larger effective diffusion coefficient for two kinds of wallboards and carpet. The carpet was also found to be very permeable resulting in an effective diffusion coefficient at the same order of magnitude with the formaldehyde diffusion coefficient in air. The partition coefficient (K(ma)) of formaldehyde in conventional wallboard was 1.52 times larger at 50% RH than at 20% RH, whereas it decreased slightly from 50% to 70% RH, presumably due to the combined effects of water solubility of formaldehyde and micro-pore blocking by condensed moisture at the high RH level. The partition coefficient of formaldehyde increased slightly with the increase of relative humidity in "green" wallboard and "green" carpet. At the same relative humidity level, the "green" wallboard had larger partition coefficient and effective diffusion coefficient than the conventional wallboard, presumably due to the micro-pore structure differences between the two materials. The data generated could be used to assess the sorption effects of formaldehyde on building materials and to evaluate its impact on the formaldehyde concentration in buildings. PMID:22788105
Sanford, R.F.
1982-01-01
Geological examples of binary diffusion are numerous. They are potential indicators of the duration and rates of geological processes. Analytical solutions to the diffusion equations generally do not allow for variable diffusion coefficients, changing boundary conditions, and impingement of diffusion fields. The three programs presented here are based on Crank-Nicholson finite-difference approximations, which can take into account these complicating factors. Program 1 describes the diffusion of a component into an initially homogeneous phase that has a constant surface composition. Specifically it is written for Fe-Mg exchange in olivine at oxygen fugacities appropriate for the lunar crust, but other components, phases, or fugacities may be substituted by changing the values of the diffusion coefficient. Program 2 simulates the growth of exsolution lamellae. Program 3 describes the growth of reaction rims. These two programs are written for pseudobinary Ca-(Mg, Fe) exchange in pyroxenes. In all three programs, the diffusion coefficients and boundary conditions can be varied systematically with time. To enable users to employ widely different numerical values for diffusion coefficients and diffusion distance, the grid spacing in the space dimension and the increment by which the grid spacing in the time dimension is increased at each time step are input constants that can be varied each time the programs are run to yield a solution of the desired accuracy. ?? 1982.
Charge collected by diffusion from an ion track under mixed boundary conditions
NASA Technical Reports Server (NTRS)
Edmonds, Larry D.
1991-01-01
Charge-carrier diffusion from an ion track in a silicon substrate at least a few hundred microns thick is analyzed. The substrate upper surface is treated as reflective except for a small section, intended to represent a reverse-biased junction, which is treated as a sink. Total charge collected by the sink is calculated by assuming transport to be governed by an ambipolar diffusion equation with temporally constant and spatially uniform carrier lifetime and diffusion coefficient. Present results apply to a normally incident track but could easily be generalized to arbitrary track direction. The collected charge is found to depend on track length and on the electrostatic capacitance, rather than the area, of the sink. Theoretical predictions are compared to the results of a numerical simulation called the Poisson and Continuity Equation Solver (PISCES) for three cases and are found to agree within a factor of two in the worst case.
Charge collected by diffusion from an ion track under mixed boundary conditions
Edmonds, L.D. )
1991-04-01
This paper analyzes charge-carrier diffusion from an ion track in a silicon substrate, at least a few hundred {mu}m thick. The substrate upper surface is treated as reflective except for a small section, intended to represent a reverse-biased junction, which is treated as a sink. Total charge collected by the sink is calculated by assuming transport to be governed by an ambipolar diffusion equation with temporally constant and spatially uniform carrier lifetime and diffusion coefficient. Present results apply to a normally incident track but could easily be generalized to arbitrary track direction. The collected charge is found to depend on track length and on the electrostatic capacitance, rather than the area, of the sink. Theoretical prediction are compared to the results of a numerical simulation called the Poisson and Continuity Equation Solver (PISCES) for three cases and are found to agree within a factor of two in the worst case.
Alonso de Mezquia, David; Wang, Zilin; Lapeira, Estela; Klein, Michael; Wiegand, Simone; Mounir Bou-Ali, M
2014-11-01
In this study, the thermodiffusion, molecular diffusion, and Soret coefficients of 12 binary mixtures composed of toluene, n-hexane and n-dodecane in the whole range of concentrations at atmospheric pressure and temperatures of 298.15 K and 308.15 K have been determined. The experimental measurements have been carried out using the Thermogravitational Column, the Sliding Symmetric Tubes and the Thermal Diffusion Forced Rayleigh Scattering techniques. The results obtained using the different techniques show a maximum deviation of 9% for the thermodiffusion coefficient, 8% for the molecular diffusion coefficient and 2% for the Soret coefficient. For the first time we report a decrease of the thermodiffusion coefficient with increasing ratio of the thermal expansion coefficient and viscosity for a binary mixture of an organic ring compound with a short n-alkane. This observation is discussed in terms of interactions between the different components. Additionally, the thermogravitational technique has been used to measure the thermodiffusion coefficients of four ternary mixtures consisting of toluene, n-hexane and n-dodecane at 298.15 K. In order to complete the study, the values obtained for the molecular diffusion coefficient in binary mixtures, and the thermodiffusion coefficient of binary and ternary mixtures have been compared with recently derived correlations. PMID:25376978
Lee, EokKyun
Correlation between Kolmogorov-Sinai entropy and self-diffusion coefficient in simple fluids the Kolmogorov-Sinai entropy, hKS and the self-diffusion coefficient D is studied for two classical simple fluid has a power law dependeney on the self-diffusion coefficient of the form hKS / (D/ 2 ) , in which
Inhomogeneous Big Bang Nucleosynthesis and Mutual Ion Diffusion
Sihvola, E
2002-01-01
We present a study of inhomogeneous big bang nucleosynthesis with emphasis on transport phenomena. We combine a hydrodynamic treatment to a nuclear reaction network and compute the light element abundances for a range of inhomogeneity parameters. We find that shortly after annihilation of electron-positron pairs, Thomson scattering on background photons prevents the diffusion of the remaining electrons. Protons and multiply charged ions then tend to diffuse into opposite directions so that no net charge is carried. Ions with Z>1 get enriched in the overdense regions, while protons diffuse out into regions of lower density. This leads to a second burst of nucleosynthesis in the overdense regions at Tlithium. We find a region in the parameter space at 2.1E-10
New type of metal ion source: Surface diffusion Li{sup +} ion source
Medvedev, V.K.; Suchorski, Y.; Block, J.H.
1995-03-01
A surface diffusion metal ion source, a new type of metal ion source, is explored. In this device a field desorption process is used to achieve an almost monoenergetic continuous flux of Li{sup +} ions from a [111]-oriented W field emitter. Earlier difficulties with the continuous supply of adatoms, required to produce measurable desorption rates, were overcome by making use of solid state surface diffusion from the Li multilayer reservoir at the shank of the field emitter. The high density of the ion beam (an ion current of 10{sup {minus}12} A was achieved from a W trimer), the extremely narrow energy distribution (full width at half-maximum of 0.25 eV) and the stable geometric form of the emitter itself during the operation are advantages of the new ion source which may be important in different areas of nanotechnology. {copyright} {ital 1995} {ital American} {ital Vacuum} {ital Society}
NASA Astrophysics Data System (ADS)
Silva, Matthew D.; Helmer, Karl G.; Lee, Jing-Huei; Han, Sam S.; Springer, Charles S.; Sotak, Christopher H.
2002-05-01
An NMR method is presented for measuring compartment-specific water diffusion coefficient (D) values. It uses relaxography, employing an extracellular contrast reagent (CR) to distinguish intracellular (IC) and extracellular (EC) 1H2O signals by differences in their respective longitudinal (T1) relaxation times. A diffusion-weighted inversion-recovery spin-echo (DW-IRSE) pulse sequence was used to acquire IR data sets with systematically and independently varying inversion time (TI) and diffusion-attenuation gradient amplitude (g) values. Implementation of the DW-IRSE technique was demonstrated and validated using yeast cells suspended in 3 mM Gd-DTPA2- with a wet/dry mass ratio of 3.25:1.0. Two-dimensional (2D) NMR data were acquired at 2.0 T and analyzed using numerical inverse Laplace transformation (2D- and sequential 1D-ILT) and sequential exponential fitting to yield T1 and water D values. All three methods gave substantial agreement. Exponential fitting, deemed the most accurate and time efficient, yielded T1:D (relative contribution) values of 304 ms:0.023×10-5 cm2/s (47%) and 65 ms:1.24×10-5 cm2/s (53%) for the IC and EC components, respectively. The compartment-specific D values derived from direct biexponential fitting of diffusion-attenuation data were also in good agreement. Extension of the DW-IRSE method to in vivo models should provide valuable insights into compartment-specific water D changes in response to injury or disease.
Cleaning of diffusion bonding surface by argon ion bombardment treatment
NASA Astrophysics Data System (ADS)
Wang, Airu; Ohashi, Osamu; Yamaguchi, Norio; Aoki, Masanori; Higashi, Yasuo; Hitomi, Nobuteru
2003-05-01
The specimens of oxygen-free high conductivity copper, SUS304L stainless steel and pure iron were treated by argon ion bombardment and then were bonded by diffusion bonding method. The effects of argon ion bombardment treatment on faying surface morphology, tensile strength of bonding joints and inclusions at the fracture surface were investigated. The results showed that argon ion bombardment treatment was effective to remove the oxide film and contamination at the faying surface and improve the quality of joints. The tensile strength of the bonded joints was improved, and minimum bonding temperature to make the metallic bonding at the interface was lowered by argon ion bombardment treatment. At the joints with argon ion bombardment treatment, ductile fractured surface was seen and the amount of inclusions was obviously decreased.
NASA Astrophysics Data System (ADS)
Wu, Dan; Lu, Wanjun
2015-04-01
Injecting CO2 into lean-oil reservoirs is not only a way to geological storage but also enhanced oil recovery. In the secondary displacements of oil reservoir by CO2-injection, diffusion coefficients and solubility of CO2 are key parameters to calculate the volume of CO2 injected and the time to achieve the desired viscosity in the numerical simulation. Unfortunately, the experimental data on the CO2 diffusion coefficient and solubility in liquid hydrocarbons under high pressure conditions are scarce. Hexadecane has properties similar to the average properties of Brazilian heavy oil. Experimental data on the diffusion coefficients and solubility of CO2 in hexadecane were reviewed by Nieuwoudt and Rand (2002), Rincon and Trejo (2001) and Breman et al (1994), indicating that the data in the literature were limited at relatively low temperatures and/or low pressures. In this paper, the diffusion coefficients of carbon dioxide in hexadecane at different temperature and pressure were determined with in situ Raman spectroscopy. A model was established to describe relationship among diffusion coefficients, temperature, and pressure. The solubility of CO2 in hexadecane was obtained from 298.15 to 473.15 K and 10 to 45 MPa. The experimental results show that:(1) Solubility of CO2 decreases with increasing temperature.(2) Increasing pressure increases the CO2 solubility. in terms of the degree of influence,100K is similar with 10MPa.(3) Diffusion coefficients of CO2 increases with increasing temperature. (4) Increasing pressure decreases the CO2 diffusion coefficients, whereas the pressure effect on CO2 diffusion coefficients is very weak. Compared with traditional sampling and analytical methods, the advantages of our method include: (1) the use of in situ Raman signals for solubility measurements eliminates possible uncertainty caused by sampling and ex situ analysis. (2) it is simple and efficient, and (3) high-pressure data can be obtained safely.
M. S. Zabaloy; V. R. Vasquez; E. A. Macedo
2006-01-01
The purpose of this work is to evaluate the potential of modeling the self-diffusion coefficient (SDC) of real fluids in all fluid states based on Lennard–Jones analytical relationships involving the SDC, the temperature, the density and the pressure. For that, we generated an equation of state (EOS) that interrelates the self-diffusion coefficient, the temperature and the density of the Lennard–Jones
Diffusion Coefficients in Liquid and Grain Boundary Predicted by Ab Initio Molecular Dynamics
Jablonski, P.D.; Liu, Z.; Fang, H.; Wang, B.
2011-04-01
Molecular dynamics (MD) is a powerful tool to probe the thermodynamic and kinetic properties of solid, glass and liquid phases. In classical molecular dynamics (CMD), empirical models are used to describe the force by considering bond, bend and dihedral angle contributions with parameters fitted to experimental data or first-principles calculations of small clusters. In the ab initio molecular dynamics (AIMD), the forces are calculated on the fly using the first-principles density functional theory as discussed above. In the present work, we use AIMD simulations to follow the random walk of atoms in the liquid state. Based on the mean square displacements (MSD), the diffusion coefficients are calculated from the Einstein equation. Furthermore, we extend this approach to understand the diffusion in grain boundaries.
The Determination of the `Diffusion Coefficients' and the Stellar Wind Velocities for X-Ray Binaries
V. M. Lipunov; S. B. Popov
1995-04-20
The distribution of neutron stars (NS's) is determined by stationary solution of the Fokker-Planck equation. In this work using the observed period changes for four systems: Vela X-1, GX 301-2, Her X-1 and Cen X-3 we determined D, the 'diffusion coefficient',-parameter from the Fokker-Planck equation. Using strong dependence of D on the velocity for Vela X-1 and GX 301-2, systems accreting from a stellar wind, we determined the stellar wind velocity. For different assumptions for a turbulent velocity we obtained $V=(660-1440) km s ^{-1}$. It is in good agreement with the stellar wind velocity determined by other methods. We also determined the specific characteristic time scales for the 'diffusion processes' in X-ray pulsars. It is of order of 200 sec for wind-fed pulsars and 1000-10000 sec for the disk accreting systems.
Ken Yoshida; Nobuyuki Matubayasi; Masaru Nakahara
2008-01-01
The self-diffusion coefficients D for water, benzene, and cyclohexane are determined by using the pulsed-field-gradient spin echo method in high-temperature conditions along the liquid branch of the coexistence curve: 30-350 °C (1.0-0.58 g cm-3), 30-250 °C (0.87-0.56 g cm-3), and 30-250 °C (0.77-0.48 g cm-3) for water, benzene, and cyclohexane, respectively. The temperature and density effects are separated and their
R. P. Bukata; A. G. Bobba
1983-01-01
An iterative least-squares optimization technique is utilized in conjunction with a one-dimensional representation of the\\u000a mass transport equation to generate theoretical210Pb concentration\\/depth profiles beneath the water-sediment interface that are best-fit approximations to directly measured210Pb concentration\\/depth profiles at various locations within the Great Lakes system. The outputs of such an optimization analysis\\u000a are the diffusion coefficientsD\\u000a \\u000a M\\u000a (molecular) andD\\u000a \\u000a B\\u000a (bioturbation)
Imaging the diffusion coefficient in a parabolic inverse problem in optical tomography
NASA Astrophysics Data System (ADS)
Gryazin, Yuriy A.; Klibanov, Michael V.; Lucas, Thomas R.
1999-04-01
The elliptic systems method (ESM), previously developed by the second and third authors, is extended to the reconstruction of the diffusion coefficient of an inverse problem for the parabolic equation 0266-5611/15/2/003/img1 in the n-dimensional case (n = 2,3). This inverse problem has applications to optical imaging of small abnormalities hidden in a random media, such as biological tissues, foggy atmospheres, murky water, etc. Results of numerical experiments are presented in the two-dimensional case, for realistic ranges of the parameters.
NASA Technical Reports Server (NTRS)
Kozyra, J. U.; Rasmussen, C. E.; Miller, R. H.; Lyons, L. R.
1994-01-01
Protons that are convected into the inner magnetosphere in response to enhanced magnetic activity can resonate with ducted plasmaspheric hiss in the outer plasmasphere via an anomalous Doppler-shifted cyclotron resonance. Plasmaspheric hiss is a right-hand-polarized electromagnetic emission that is observed to fill the plasmasphere on a routine basis. When plasmaspheric hiss is confined within field-aligned ducts or guided along density gradients, wave normal angles remain largely below 45 deg. This allows resonant interactions with ions at typical ring current and radiation belt energies to take place. Such field-aligned ducts have been observed both within the plasmasphere and in regions outside of the plasmasphere. Wave intensities are estimated using statistical information from studies of detached plasma regions. Diffusion coefficients are presented for a range of L shells and proton energies for a fixed wave distribution. Harmonic resonances in the range N = +/-100 are considered in order to include interactions between hiss at 100 Hz to 2 kHz frequencies, and protons in the energy range between approximately 10 keV and 1000 keV. Diffusion timescales are estimated to be of the order of tens of days and comparable to or shorter than lifetimes for Coulomb decay and charge exchange losses over most of the energy and spatial ranges of interest.
NASA Astrophysics Data System (ADS)
Hayamizu, Kikuko; Price, William S.
2004-04-01
Pulsed gradient spin-echo (PGSE) NMR measurements of the self-diffusion coefficients of low viscosity liquids are greatly hampered by the effects of convection especially away from ambient temperature. Here we report on a new NMR tube designed to minimize the deleterious effects of convection. In this tube, which derives from a Shigemi symmetrical NMR tube, the sample is contained in an annulus formed from a concentric cylinder of susceptibility matched glass. The performance of this tube was demonstrated by conducting measurements on the electrochemically important LiN(SO 3CF 3) 2 (LiTFSI)-diglyme (DG) system. Calibrations were first made using DG at column heights of 2, 3, and 4-mm in the temperature range between -40 and 100 °C. Measurements of the diffusion coefficients of the lithium, anion, and DG were then performed to probe the solvent-ion and ion-ion interactions in the DG doped with LiTFSI. Changes in the 1H, 7Li, and 19F PGSE-NMR attenuation curves at -40 °C provided clear evidence of interactions between the DG and lithium ion.
Hayamizu, Kikuko; Price, William S
2004-04-01
Pulsed gradient spin-echo (PGSE) NMR measurements of the self-diffusion coefficients of low viscosity liquids are greatly hampered by the effects of convection especially away from ambient temperature. Here we report on a new NMR tube designed to minimize the deleterious effects of convection. In this tube, which derives from a Shigemi symmetrical NMR tube, the sample is contained in an annulus formed from a concentric cylinder of susceptibility matched glass. The performance of this tube was demonstrated by conducting measurements on the electrochemically important LiN(SO3CF3)2 (LiTFSI)-diglyme (DG) system. Calibrations were first made using DG at column heights of 2, 3, and 4-mm in the temperature range between -40 and 100 degrees C. Measurements of the diffusion coefficients of the lithium, anion, and DG were then performed to probe the solvent-ion and ion-ion interactions in the DG doped with LiTFSI. Changes in the 1H, 7Li, and 19F PGSE-NMR attenuation curves at -40 degrees C provided clear evidence of interactions between the DG and lithium ion. PMID:15040990
Shiva, Amir Houshang; Teasdale, Peter R; Bennett, William W; Welsh, David T
2015-08-12
A systematic comparison of the diffusion coefficients of cations (Al, Cd, Co, Cu, Mn, Ni, Pb, Zn) and oxyanions (Al, As, Mo, Sb, V, W) in open (ODL) and restricted (RDL) diffusive layers used by the DGT technique was undertaken. Diffusion coefficients were measured using both the diffusion cell (Dcell) method at pH 4.00 and the DGT time-series (DDGT) method at pH 4.01 and 7.04 (pH 8.30 was used instead of 7.04 for Al) using the Chelex-Metsorb mixed binding layer. The performance of Chelex-Metsorb as a new DGT binding layer for Al uptake was also evaluated for the first time. Reasonable agreement was observed between Dcell and DDGT measurements for both ODL and RDL, except for V and W. The ratios of Dcell/DDGT for V of 0.44 and 0.39, and for W of 0.66 and 0.63 with ODL and RDL respectively, were much lower due to the formation of a high proportion of polyoxometalate species at the higher concentrations required with the Dcell measurements. This is the first time that D values have been reported for several oxyanions using RDL. Except for Al at pH 8.30 with ODL, all DDGT measurements were retarded relative to diffusion coefficients in water (DW) for both diffusive hydrogels. Diffusion in RDL was further retarded compared with ODL, for all elements (0.66-0.78) with both methods. However, the degree of retardation observed changed for cations and anions at each pH. At pH 7.04 cations had a slightly higher DDGT and oxyanions had a slightly lower DDGT than at pH 4.01 for both ODL and RDL. It is proposed that this is due to partial formation of acrylic acid functional groups (pKa ?4.5), which would be fully deprotonated at pH 7.04 (negative) and mostly protonated at pH 4.01 (neutral). As Al changes from being cationic at pH 4.01 to anionic at pH 8.30 the results were more complex. PMID:26320970
Ab initio transport coefficients of Ar+ ions in Ar for cold plasma jet modeling
NASA Astrophysics Data System (ADS)
Chicheportiche, A.; Lepetit, B.; Gadéa, F. X.; Benhenni, M.; Yousfi, M.; Kalus, R.
2014-06-01
Collision cross sections and transport coefficients are calculated for Ar+ ions, in the ground state 2P3/2 and in the metastable state 2P1/2, colliding with their parent gas. Differential and integral collision cross sections are obtained using a numerical integration of the nuclear Schrödinger equation for several published interaction potentials. The Cohen-Schneider semi-empirical model is used for the inclusion of the spin-orbit interaction. The corresponding differential collision cross sections are then used in an optimized Monte Carlo code to calculate the ion transport coefficients for each initial ion state over a wide range of reduced electric field. Ion swarm data results are then compared with available experimental data for different proportions of ions in each state. This allows us to identify the most reliable interaction potential which reproduces ion transport coefficients falling within the experimental error bars. Such ion transport data will be used in electrohydrodynamic and chemical kinetic models of the low temperature plasma jet to quantify and to tune the active species production for a better use in biomedical applications.
Norris, D G; Niendorf, T; Leibfritz, D
1994-11-01
The significance of NMR water diffusion measurements performed at short diffusion times (< 10 ms) for brain tissue is examined. An apparent restriction to diffusion for both healthy and cytotoxically edematous tissue is shown: cytotoxic edema lengthens the diffusion time at which this phenomenon is visible. The dramatic reduction in apparent diffusion coefficient (ADC) observed in the core of cytotoxic edema is explained in terms of the enclosure of extracellular water in non-contiguous pockets in conjunction with the shift of water from the extra-to the intracellular space. The model presented provides an explanation for the ADC reduction without recourse to changes in the cell membrane permeability to water, or unrealistic values for the extra- and intracellular diffusion coefficients. PMID:7718430
Kaganovich, Igor
Coefficient in Energy in Bounded Collisional Plasmas Lev D. Tsendin Abstract--The electron energies in typical gas discharge plasmas do not exceed significantly the first ionization potential. This being the case be de- scribed by a diffusion coefficient in energy . Both collisional and stochastic heating mechanisms
A. Bodalal; J. S. Zhang; E. G. Plett
2000-01-01
An experimental method for the determination of the internal diffusion coefficient (D) and partition coefficient (ke) of volatile organic compounds (VOCs) is developed for dry building materials (such as carpet, vinyl flooring, plywood, etc.). The method is used to determine D and ke for four VOCs (toluene, nonane, decane, and undecane ) through the backing material of a carpet specimen,
Radon (222Rn) in ground water of fractured rocks: A diffusion/ion exchange model
Wood, W.W.; Kraemer, T.F.; Shapiro, A.
2004-01-01
Ground waters from fractured igneous and high-grade sialic metamorphic rocks frequently have elevated activity of dissolved radon (222Rn). A chemically based model is proposed whereby radium (226Ra) from the decay of uranium (238U) diffuses through the primary porosity of the rock to the water-transmitting fracture where it is sorbed on weathering products. Sorption of 226Ra on the fracture surface maintains an activity gradient in the rock matrix, ensuring a continuous supply of 226Ra to fracture surfaces. As a result of the relatively long half-life of 226Ra (1601 years), significant activity can accumulate on fracture surfaces. The proximity of this sorbed 226Ra to the active ground water flow system allows its decay progeny 222Rn to enter directly into the water. Laboratory analyses of primary porosity and diffusion coefficients of the rock matrix, radon emanation, and ion exchange at fracture surfaces are consistent with the requirements of a diffusion/ion- exchange model. A dipole-brine injection/withdrawal experiment conducted between bedrock boreholes in the high-grade metamorphic and granite rocks at the Hubbard Brook Experimental Forest, Grafton County, New Hampshire, United States (42??56???N, 71??43???W) shows a large activity of 226Ra exchanged from fracture surfaces by a magnesium brine. The 226Ra activity removed by the exchange process is 34 times greater than that of 238U activity. These observations are consistent with the diffusion/ion-exchange model. Elutriate isotopic ratios of 223Ra/226Ra and 238U/226Ra are also consistent with the proposed chemically based diffusion/ion-exchange model.
Radon (222Rn) in ground water of fractured rocks: a diffusion/ion exchange model.
Wood, Warren W; Kraemer, Thomas F; Shapiro, Allen
2004-01-01
Ground waters from fractured igneous and high-grade sialic metamorphic rocks frequently have elevated activity of dissolved radon (222Rn). A chemically based model is proposed whereby radium (226Ra) from the decay of uranium (238U) diffuses through the primary porosity of the rock to the water-transmitting fracture where it is sorbed on weathering products. Sorption of 226Ra on the fracture surface maintains an activity gradient in the rock matrix, ensuring a continuous supply of 226Ra to fracture surfaces. As a result of the relatively long half-life of 226Ra (1601 years), significant activity can accumulate on fracture surfaces. The proximity of this sorbed 226Ra to the active ground water flow system allows its decay progeny 222Rn to enter directly into the water. Laboratory analyses of primary porosity and diffusion coefficients of the rock matrix, radon emanation, and ion exchange at fracture surfaces are consistent with the requirements of a diffusion/ion-exchange model. A dipole-brine injection/withdrawal experiment conducted between bedrock boreholes in the high-grade metamorphic and granite rocks at the Hubbard Brook Experimental Forest, Grafton County, New Hampshire, United States (42 degrees 56'N, 71 degrees 43'W) shows a large activity of 226Ra exchanged from fracture surfaces by a magnesium brine. The 226Ra activity removed by the exchange process is 34 times greater than that of 238U activity. These observations are consistent with the diffusion/ion-exchange model. Elutriate isotopic ratios of 223Ra/226Ra and 238U/226Ra are also consistent with the proposed chemically based diffusion/ion-exchange model. PMID:15318778
Birchard, G F
2000-01-01
The importance of gas phase diffusion in insect gas exchange remains unclear. The role of diffusion in gas exchange of developing Hyalophora cecropia pupae was examined by altering the gaseous diffusion coefficient in the breathing mixture. Gaseous diffusion coefficients were manipulated by substituting helium or sulfur hexafluoride for the nitrogen usually present in air. Sensitive mass loss recordings were employed to monitor gas exchange activity. Mass loss recordings showed a two-phase cycle, open and closed-flutter. Mass loss rates during the open and closed-flutter periods were not altered in proportion to the changes induced in the rate of diffusion. Open-phase duration was inversely and proportionally related to the diffusion coefficient. These results are consistent with changes in spiracle resistance or convective flow during the open period in response to a change in the diffusion coefficient. In addition, they indicate a significant gas phase diffusive resistance within the pupal tracheal system. This previously unreported gas phase resistance appears to be a major determinant of the duration of the open period and thus of overall water loss rates in these pupae. PMID:11009402
NASA Astrophysics Data System (ADS)
Kis, A.; Scholer, M.; Klecker, B.; Lucek, E. A.; Reme, H.; Lemperger, I.; Wesztergom, V.
2010-12-01
We analyze simultaneous multipoint observations of several diffuse ion events observed upstream of Earth’s quasi-parallel bow shock. Each upstream ion event is treated individually in order to determine the similarities and differences of the physical process of energetic ion scattering as a function of interplanetary magnetic field and plasma conditions. The data were provided by the CIS and the FGM instruments onboard Cluster SC1 and SC3 at times of large (i.e., 1-1.5 Re) interspacecraft separation distance. The diffuse ion partial density gradients were determined at different distances from the quasi-parallel bow shock along the magnetic field lines and the e-folding distances (and the diffusion coefficients) were calculated. Our results show that during times of quiet interplanetary magnetic field (IMF) conditions (i.e., when the IMF presents a substantial directional stability) the field aligned beam (FAB) intensity is high which has an impact on the diffuse ion scattering process. We demonstrate that high intensity FAB generated waves are convected deep in the foreshock region and scatter especially the lower energy (i.e., 10-18 keV) diffuse ions efficiently which results in unusually low e-folding distance (and diffusion coefficient). These new results reveal the complexity of the energetic ion scattering process in the foreschock region and help to understand the process of ion acceleration at Earth’s bow shock.
NASA Astrophysics Data System (ADS)
Argyrakis, P.; Chumak, A. A.; Maragakis, M.; Tsakiris, N.
2009-09-01
Collective diffusion in a two-dimensional lattice-gas system undergoing first-order phase transition is studied both theoretically and by means of Monte Carlo (MC) simulations. The nearest-neighbor attractive interactions result in the formation of a two-phase mixture in which the characteristic size of the dense phase grows with time as t1/3 . It is shown analytically that the evolution of large-scale coverage inhomogeneities is governed by the diffusion equation with a negative diffusion coefficient. Similar to the phenomenon of Ostwald ripening, the Gibbs-Thompson effect is responsible for this abnormal diffusion. MC simulations of random jumps of individual particles also show the presence of negative diffusion caused by the macroscopically inhomogeneous distribution of particle density. The collective diffusion coefficients obtained both theoretically and by means of MC simulations are in satisfactory agreement.
Nahar, Sultana Nurun
ELECTRON-ION RECOMBINATION RATE COEFFICIENTS AND PHOTOIONIZATION CROSS SECTIONS FOR ASTROPHYSICALLY cross sections, recombination cross sections, and rate coefficients for photoionization of to the total rates, level-specific photoionization cross sections and recombination rates are presented for all
In-situ determination of the diffusion coefficient of 222Rn in concrete.
Gadd, M S; Borak, T B
1995-06-01
Measurements of the effective diffusion coefficient, De, of 222Rn in concrete are important for accurate determination of transport mechanisms and computer modeling of radon entry into structures. A method for in-situ determination of De as well as the emanation fraction, F, is described. It is based on continuous measurement of the radon flux from an intact slab and the concentrations on both sides. A non-linear regression algorithm was used to fit these data to the steady state solution to Fick's law. The regression output includes estimates of both De and F. The method has the advantage over typical laboratory procedures since it measures an undisturbed surface area of concrete where the samples exhibit moisture, temperature, and loading conditions that are experienced in a real structure. Effective diffusion coefficients ranged from 1.1 x 10(-8) to 4.4 x 10(-8) m2 s-1 for measurements of concrete floor slabs in two structures. The measured emanation fraction of radon in concrete in one structure was 0.2 +/- 0.02. A sensitivity analysis indicated that the values of De and F estimated by the regression procedure are strongly dependent on the thickness of the slab. The porosity of the concrete had little affect on the regression results. PMID:7759260
Comment on ``Density scaling of the diffusion coefficient at various pressures in viscous liquids''
NASA Astrophysics Data System (ADS)
Grzybowski, A.; Paluch, M.; Grzybowska, K.
2010-07-01
The thermodynamic scaling idea enables an elegant description of relaxation dynamics near the glass transition and provides a linkage between thermodynamics and molecular dynamics of supercooled liquids. A lot of effort has been put into finding functions, f(T-1V-?) , which can scale dynamical quantities such as relaxation time, viscosity, and diffusion coefficient. Within the trend, Papathanassiou [A. N. Papathanassiou, Phys. Rev. E 79, 032501 (2009)10.1103/PhysRevE.79.032501] has recently derived a new scaling function for the reduced diffusion coefficient. In this Comment, we report that this scaling function is not sufficiently grounded, because it is based on some scaled equation of state which predicts significantly different values of the scaling exponent ? from volumetric data in comparison with those found from the scaling of relaxation or viscosity data. Moreover, we would like to point out that any scaling function f cannot be straightforwardly formulated on the basis of any equation of state which yields the scaling exponent ? different from that used to scale the dynamic quantity.
Comparison of [corrected] actin- and glass-supported phospholipid bilayer diffusion coefficients.
Sterling, Sarah M; Dawes, Ryan; Allgeyer, Edward S; Ashworth, Sharon L; Neivandt, David J
2015-04-21
The formation of biomimetic lipid membranes has the potential to provide insights into cellular lipid membrane dynamics. The construction of such membranes necessitates not only the utilization of appropriate lipids, but also physiologically relevant substrate/support materials. The substrate materials employed have been shown to have demonstrable effects on the behavior of the overlying lipid membrane, and thus must be studied before use as a model cushion support. To our knowledge, we report the formation and investigation of a novel actin protein-supported lipid membrane. Specifically, inner leaflet lateral mobility of globular actin-supported DMPC (1,2-dimyristoyl-sn-glycero-3-phosphocholine) bilayers, deposited via the Langmuir-Blodgett/Langmuir Schaefer methodology, was investigated by z-scan fluorescence correlation spectroscopy across a temperature range of 20-44°C. The actin substrate was found to decrease the diffusion coefficient when compared to an identical membrane supported on glass. The depression of the diffusion coefficient occurred across all measured temperatures. These results indicated that the actin substrate exerted a direct effect on the fluidity of the lipid membrane and highlighted the fact that the choice of substrate/support is critical in studies of model lipid membranes. PMID:25902434
Effect of cation on diffusion coefficient of ionic liquids at onion-like carbon electrodes
NASA Astrophysics Data System (ADS)
Van Aken, Katherine L.; McDonough, John K.; Li, Song; Feng, Guang; Chathoth, Suresh M.; Mamontov, Eugene; Fulvio, Pasquale F.; Cummings, Peter T.; Dai, Sheng; Gogotsi, Yury
2014-07-01
While most supercapacitors are limited in their performance by the stability of the electrolyte, using neat ionic liquids (ILs) as the electrolyte can expand the voltage window and temperature range of operation. In this study, ILs with bis(trifluoromethylsulfonyl)imide (Tf2N) as the anion were investigated as the electrolyte in onion-like carbon-based electrochemical capacitors. To probe the influence of cations on the electrochemical performance of supercapacitors, three different cations were used: 1-ethyl-3-methylimidazolium, 1-hexyl-3-methylimidazolium and 1,6-bis(3-methylimidazolium-1-yl). A series of electrochemical characterization tests was performed using cyclic voltammetry (CV), galvanostatic cycling and electrochemical impedance spectroscopy (EIS). Diffusion coefficients were measured using EIS and correlated with quasielastic neutron scattering and molecular dynamics simulation. These three techniques were used in parallel to confirm a consistent trend between the three ILs. It was found that the IL with the smaller sized cation had a larger diffusion coefficient, leading to a higher capacitance at faster charge-discharge rates. Furthermore, the IL electrolyte performance was correlated with increasing temperature, which limited the voltage stability window and led to the formation of a solid electrolyte interphase on the carbon electrode surface, evident in both the CV and EIS experiments.
Drag and diffusion coefficients of a spherical particle attached to a fluid interface
Dörr, Aaron
2015-01-01
Explicit analytical expressions for the drag and diffusion coefficients of a spherical particle attached to the interface between two immiscible fluids are constructed for the case of a small viscosity ratio between the fluid phases. The model is designed to explicitly account for the dependence on the contact angle between the two fluids and the solid surface. The Lorentz reciprocal theorem is applied in the context of a geometric perturbation approach, which is based on the deviation of the contact angle from a 90{\\deg}-value. By testing the model against experimental and numerical data from the literature, good agreement is found within the entire range of contact angles below 90{\\deg}. As an advantage of the method reported, the drag and diffusion coefficients can be calculated up to second order in the perturbation parameter, while it is sufficient to know the velocity and pressure fields only up to first order. Extensions to other particle shapes with known velocity and pressure fields are straightforwa...
McDonald, ES; Schopp, J; Peacock, S; Olson, ML; DeMartini, WB; Rahbar, H; Lehman, CD; Partridge, SC
2014-01-01
OBJECTIVE To assess associations between patient characteristics and apparent diffusion coefficient (ADC) values of normal breast fibroglandular tissue on diffusion-weighted imaging (DWI) at 3 tesla. MATERIALS and METHODS The retrospective study included 103 women with negative bilateral findings on 3T breast MR examinations (BI-RADS 1). DWI was acquired during clinical breast MRI scans using b = 0, 800 s/mm2. Mean ADC of normal breast fibroglandular tissue was calculated for each breast using a semi-automated software tool in which parenchyma pixels were selected by interactive thresholding of the b=0 s/mm2 image to exclude fat. Intrasubject right and left breast ADC values were compared and averaged together to evaluate the association of mean breast ADC with age, mammographic breast density and background parenchymal enhancement (BPE). RESULTS Overall mean breast ADC was 1.62±0.30 ×10?3mm2/s. Intrasubject right and left breast ADC measurements were highly correlated (R2=0.89, p<0.0001). Increased breast density was strongly associated with increased ADC (p=<0.0001). Age and BPE were not associated with ADC. CONCLUSION Normal breast parenchymal ADC values increase with mammographic density, but are independent of age and BPE. Since breast malignancies have been shown to have low ADC values, DWI may be particularly valuable in women with dense breasts due to greater lesion to normal tissue contrast. PMID:24758685
In-situ estimate of submesoscale horizontal eddy diffusion coefficients across a front
NASA Astrophysics Data System (ADS)
Nencioli, Francesco; d'Ovidio, Francesco; Doglioli, Andrea; Petrenko, Anne
2013-04-01
Fronts, jets and eddies are ubiquitous features of the world oceans, and play a key role in regulating energy budget, heat transfer, horizontal and vertical transport, and biogeochemical processes. Although recent advances in computational power have favored the analysis of mesoscale and submesoscale dynamics from high-resolution numerical simulations, studies from in-situ observations are still relatively scarce. The small dimensions and short duration of such structures still pose major challenges for fine-scale dedicated field experiments. As a consequence, in-situ quantitative estimates of key physical parameters for high-resolution numerical models, such as horizontal eddy diffusion coefficients, are still lacking. The Latex10 campaign (September 1-24, 2010), within the LAgrangian Transport EXperiment (LATEX), adopted an adaptive sampling strategy that included satellite data, ship-based current measurements, and iterative Lagrangian drifter releases to successfully map coherent transport structures in the western Gulf of Lion. Comparisons with AVHRR imagery evidenced that the detected structures were associated with an intense frontal feature, originated by the convergence and subsequent stirring of colder coastal waters with warmer open-sea waters. We present a method for computing horizontal eddy diffusion coefficients by combining the stirring rates estimated from the Lagrangian drifter trajectories with the shapes of the surface temperature and salinity gradient (assumed to be at the equilibrium) from the ship thermosalinograph. The average value we obtained from various sections across the front is 2.5 m2s-1, with horizontal scales (width of the front) ranging between 0.5 and 2.5 km. This is in line with the values commonly used for high-resolution numerical simulations. Further field experiment will be required to extend the results to different ocean regions and regimes, and to thoroughly test the robustness of the equilibrium hypothesis. Remote sensed measurements of sea surface temperature and elevation could also be used to compute fine-scale horizontal eddy diffusion coefficients over larger areas and for different ocean regions. However, the coarse resolution of current sea surface topography observations, and their unreliability over coastal regions, represent important limitations for this type of application. The velocity fields provided by the SWOT mission will allow to retrieve accurate high-resolution stirring rates across the ocean. Combining these rates with remote-sensed SST gradients will make possible to extend our analysis and investigate patterns and variability of submesoscale horizontal eddy diffusion at the global scale.
NASA Astrophysics Data System (ADS)
Al, T. A.; Marica, F.; Mayer, K. U.; Rasouli, P.; Balcom, B.; Subudhi, R.; Hussein, E.
2009-05-01
Determination of the porosity and diffusion properties of porous sedimentary rocks is an important prerequisite for quantification of diffusive mass transfer between fractures and the matrix in fractured porous rock flow systems. Porosity may be measured in a variety of ways, but few methods are available to provide quantitative, spatially-resolved measurements in heterogeneous porous media. Similarly, most of the common techniques for measuring diffusion coefficients are not able to provide spatially-resolved information on the diffusion properties of heterogeneous porous media. We have developed and tested X-ray radiography, ?-ray transmission, and magnetic resonance imaging (MRI) techniques for quantifying the porosity and tracer-concentration distributions in rock samples. These are non-destructive techniques and are therefore capable of acquiring spatially and temporally resolved concentration distributions for a single sample. Diffusion coefficients for a specific tracer in the porous medium can then be obtained by fitting the observed concentration distributions with a quantitative diffusion model. Examples of spatially-resolved distributions of porosity are provided in 1D, 2D and 3D for common rock types at scales from ?m to cm. Spatially-resolved tracer concentration distributions are demonstrated, and diffusion coefficients are derived by fitting a diffusion model to the tracer concentration data. In addition, we test the applicability of an established Archie's-Law relationship between porosity and the effective diffusion coefficient at a scale of several tens of ?m. These methods have the potential to provide a means for quantifying the feedback between geochemical reactions and the physical properties of the porous media, such as porosity and diffusion coefficient.
Diffuse plasma effects on the ion-hose instability
Welch, D.R.; Hughes, T.P. (Mission Research Corporation, Albuquerque, New Mexico 87106 (United States))
1993-02-01
The transverse stability of a relativistic electron beam focused by an ion channel in the presence of a diffuse background plasma is investigated. The linear behavior of the ion-hose and electron two-stream instabilities is treated analytically using a spread-mass model for the beam and ion channel and a cold-fluid model for the plasma. The electron two-stream instability is found to be quite weak. As the plasma neutralization radius approaches the beam radius, the ion-hose growth rate is reduced up to 50% before the model's assumptions break down. Particle-in-cell simulations confirm the linear analytic theory and show that the electron two-stream instability can saturate nonlinearly with little beam emittance growth.
NASA Astrophysics Data System (ADS)
Yoshida, Ken; Matubayasi, Nobuyuki; Nakahara, Masaru
2008-12-01
The self-diffusion coefficients D for water, benzene, and cyclohexane are determined by using the pulsed-field-gradient spin echo method in high-temperature conditions along the liquid branch of the coexistence curve: 30-350 °C (1.0-0.58 g cm-3), 30-250 °C (0.87-0.56 g cm-3), and 30-250 °C (0.77-0.48 g cm-3) for water, benzene, and cyclohexane, respectively. The temperature and density effects are separated and their origins are discussed by examining the diffusion data over a wide range of thermodynamic states. The temperature dependence of the self-diffusion coefficient for water is larger than that for organic solvents due to the large contribution of the attractive hydrogen-bonding interaction in water. The density dependence is larger for organic solvents than for water. The difference is explained in terms of the van der Waals picture that the structure of nonpolar organic solvents is determined by the packing effect due to the repulsion or exclusion volumes. The dynamic solvation shell scheme [K. Yoshida et al., J. Chem. Phys. 127, 174509 (2007)] is applied for the molecular interpretation of the translational dynamics with the aid of molecular dynamics simulation. In water at high temperatures, the velocity relaxation is not completed before the relaxation of the solvation shell (mobile-shell type) as a result of the breakdown of the hydrogen-bonding network. In contrast, the velocity relaxation of benzene is rather confined within the solvation shell (in-shell type).
A non-perturbative estimate of the heavy quark momentum diffusion coefficient
Francis, A; Laine, M; Neuhaus, T; Ohno, H
2015-01-01
We estimate the momentum diffusion coefficient of a heavy quark within a pure SU(3) plasma at a temperature of about 1.5Tc. Large-scale Monte Carlo simulations on a series of lattices extending up to 192^3*48 permit us to carry out a continuum extrapolation of the so-called colour-electric imaginary-time correlator. The extrapolated correlator is analyzed with the help of theoretically motivated models for the corresponding spectral function. Evidence for a non-zero transport coefficient is found and, incorporating systematic uncertainties reflecting model assumptions, we obtain kappa = (1.8 - 3.4)T^3. This implies that the "drag coefficient", characterizing the time scale at which heavy quarks adjust to hydrodynamic flow, is (1.8 - 3.4) (Tc/T)^2 (M/1.5GeV) fm/c, where M is the heavy quark kinetic mass. The results apply to bottom and, with somewhat larger systematic uncertainties, to charm quarks.
A non-perturbative estimate of the heavy quark momentum diffusion coefficient
A. Francis; O. Kaczmarek; M. Laine; T. Neuhaus; H. Ohno
2015-08-19
We estimate the momentum diffusion coefficient of a heavy quark within a pure SU(3) plasma at a temperature of about 1.5Tc. Large-scale Monte Carlo simulations on a series of lattices extending up to 192^3*48 permit us to carry out a continuum extrapolation of the so-called colour-electric imaginary-time correlator. The extrapolated correlator is analyzed with the help of theoretically motivated models for the corresponding spectral function. Evidence for a non-zero transport coefficient is found and, incorporating systematic uncertainties reflecting model assumptions, we obtain kappa = (1.8 - 3.4)T^3. This implies that the "drag coefficient", characterizing the time scale at which heavy quarks adjust to hydrodynamic flow, is (1.8 - 3.4) (Tc/T)^2 (M/1.5GeV) fm/c, where M is the heavy quark kinetic mass. The results apply to bottom and, with somewhat larger systematic uncertainties, to charm quarks.
Wernert, Véronique; Bouchet, Renaud; Denoyel, Renaud
2014-01-17
The effective diffusion coefficient of non retained toluene and polystyrenes compounds was measured by the peak parking method for two columns packed with mesoporous silica. Different models used to predict the effective diffusion are compared. These models include the conventional Knox time-averaged model and some effective medium theory models such as Maxwell, Landauer, Garnett or Torquato models. In all these models the effective intraparticle diffusion coefficient is needed. It is derived here, in non-adsorbing conditions, from internal porosity, hindrance factor, which can be estimated with the Renkin correlation, and internal tortuosity, which can be considered as either constant or calculated by the Weissberg equation ?=1-pln?, where ? is the accessible particle porosity and p a parameter characteristic of the topology. The experimental effective diffusion coefficients of toluene and polystyrenes were found to be in good agreement with the values predicted by the Maxwell, or Torquato models, provided the internal tortuosity is calculated by using the Weissberg equation. PMID:24380650
Meunier, M
2005-10-01
Molecular dynamics (MD) simulations were employed to estimate the diffusion coefficients of small gas molecules (Ar, O2, N2, CO2, and CH4) in amorphous cis-1,4-polybutadiene in the temperature range of 250-400 K. The VT diagram and solubility parameter of the amorphous polymer have been successfully reproduced using a full atomistic potential. Diffusion coefficients were calculated from long NPT MD runs (up to 3 ns) at temperature ranging from 250 up to 400 K. Calculated diffusion coefficients compare well with experimental data as well as previous published work, though a systematic overestimation is found due to the finite-size effect of the model. The influence of various physical and computational parameters on the results is discussed. The diffusion mechanism is examined at the different temperatures of study. PMID:16223330
NASA Astrophysics Data System (ADS)
Meunier, M.
2005-10-01
Molecular dynamics (MD) simulations were employed to estimate the diffusion coefficients of small gas molecules (Ar, O2, N2, CO2, and CH4) in amorphous cis-1,4-polybutadiene in the temperature range of 250-400K. The VT diagram and solubility parameter of the amorphous polymer have been successfully reproduced using a full atomistic potential. Diffusion coefficients were calculated from long NPT MD runs (up to 3ns) at temperature ranging from 250 up to 400K. Calculated diffusion coefficients compare well with experimental data as well as previous published work, though a systematic overestimation is found due to the finite-size effect of the model. The influence of various physical and computational parameters on the results is discussed. The diffusion mechanism is examined at the different temperatures of study.
Neurite beading is sufficient to decrease the apparent diffusion coefficient after ischemic stroke.
Budde, Matthew D; Frank, Joseph A
2010-08-10
Diffusion-weighted MRI (DWI) is a sensitive and reliable marker of cerebral ischemia. Within minutes of an ischemic event in the brain, the microscopic motion of water molecules measured with DWI, termed the apparent diffusion coefficient (ADC), decreases within the infarcted region. However, although the change is related to cell swelling, the precise pathological mechanism remains elusive. We show that focal enlargement and constriction, or beading, in axons and dendrites are sufficient to substantially decrease ADC. We first derived a biophysical model of neurite beading, and we show that the beaded morphology allows a larger volume to be encompassed within an equivalent surface area and is, therefore, a consequence of osmotic imbalance after ischemia. The DWI experiment simulated within the model revealed that intracellular ADC decreased by 79% in beaded neurites compared with the unbeaded form. To validate the model experimentally, excised rat sciatic nerves were subjected to stretching, which induced beading but did not cause a bulk shift of water into the axon (i.e., swelling). Beading-induced changes in cell-membrane morphology were sufficient to significantly hinder water mobility and thereby decrease ADC, and the experimental measurements were in excellent agreement with the simulated values. This is a demonstration that neurite beading accurately captures the diffusion changes measured in vivo. The results significantly advance the specificity of DWI in ischemia and other acute neurological injuries and will greatly aid the development of treatment strategies to monitor and repair damaged brain in both clinical and experimental settings. PMID:20660718
Diffusion Coefficients of Endogenous Cytosolic Proteins from Rabbit Skinned Muscle Fibers
Carlson, Brian E.; Vigoreaux, Jim O.; Maughan, David W.
2014-01-01
Efflux time courses of endogenous cytosolic proteins were obtained from rabbit psoas muscle fibers skinned in oil and transferred to physiological salt solution. Proteins were separated by gel electrophoresis and compared to load-matched standards for quantitative analysis. A radial diffusion model incorporating the dissociation and dissipation of supramolecular complexes accounts for an initial lag and subsequent efflux of glycolytic and glycogenolytic enzymes. The model includes terms representing protein crowding, myofilament lattice hindrance, and binding to the cytomatrix. Optimization algorithms returned estimates of the apparent diffusion coefficients, D(r,t), that were very low at the onset of diffusion (?10?10 cm2 s?1) but increased with time as cytosolic protein density, which was initially high, decreased. D(r,t) at later times ranged from 2.11 × 10?7 cm2 s?1 (parvalbumin) to 0.20 × 10?7 cm2 s?1 (phosphofructose kinase), values that are 3.6- to 12.3-fold lower than those predicted in bulk water. The low initial values are consistent with the presence of complexes in situ; the higher later values are consistent with molecular sieving and transient binding of dissociated proteins. Channeling of metabolic intermediates via enzyme complexes may enhance production of adenosine triphosphate at rates beyond that possible with randomly and/or sparsely distributed enzymes, thereby matching supply with demand. PMID:24559981
NASA Astrophysics Data System (ADS)
Custo, Anna; Wells, William M., III; Barnett, Alex H.; Hillman, Elizabeth M. C.; Boas, David A.
2006-07-01
An efficient computation of the time-dependent forward solution for photon transport in a head model is a key capability for performing accurate inversion for functional diffuse optical imaging of the brain. The diffusion approximation to photon transport is much faster to simulate than the physically correct radiative transport equation (RTE); however, it is commonly assumed that scattering lengths must be much smaller than all system dimensions and all absorption lengths for the approximation to be accurate. Neither of these conditions is satisfied in the cerebrospinal fluid (CSF). Since line-of-sight distances in the CSF are small, of the order of a few millimeters, we explore the idea that the CSF scattering coefficient may be modeled by any value from zero up to the order of the typical inverse line-of-sight distance, or approximately 0.3 mm-1, without significantly altering the calculated detector signals or the partial path lengths relevant for functional measurements. We demonstrate this in detail by using a Monte Carlo simulation of the RTE in a three-dimensional head model based on clinical magnetic resonance imaging data, with realistic optode geometries. Our findings lead us to expect that the diffusion approximation will be valid even in the presence of the CSF, with consequences for faster solution of the inverse problem.
A Potential Risk of Overestimating Apparent Diffusion Coefficient in Parotid Glands
Liu, Yi-Jui; Lee, Yi-Hsiung; Chang, Hing-Chiu; Huang, Teng-Yi; Chiu, Hui-Chu; Wang, Chih-Wei; Chiou, Ta-Wei; Hsu, Kang; Juan, Chun-Jung; Huang, Guo-Shu; Hsu, Hsian-He
2015-01-01
Objectives To investigate transient signal loss on diffusion weighted images (DWI) and overestimation of apparent diffusion coefficient (ADC) in parotid glands using single shot echoplanar DWI (EPDWI). Materials and Methods This study enrolled 6 healthy subjects and 7 patients receiving radiotherapy. All participants received dynamic EPDWI with a total of 8 repetitions. Imaging quality of DWI was evaluated. Probability of severe overestimation of ADC (soADC), defined by an ADC ratio more than 1.2, was calculated. Error on T2WI, DWI, and ADC was computed. Statistical analysis included paired Student t testing and Mann-Whitney U test. A P value less than 0.05 was considered statistically significant. Results Transient signal loss was visually detected on some excitations of DWI but not on T2WI or mean DWI. soADC occurred randomly among 8 excitations and 3 directions of diffusion encoding gradients. Probability of soADC was significantly higher in radiotherapy group (42.86%) than in healthy group (24.39%). The mean error percentage decreased as the number of excitations increased on all images, and, it was smallest on T2WI, followed by DWI and ADC in an increasing order. Conclusions Transient signal loss on DWI was successfully detected by dynamic EPDWI. The signal loss on DWI and overestimation of ADC could be partially remedied by increasing the number of excitations. PMID:25922948
Modeling Diffusion Induced Stresses for Lithium-Ion Battery Materials
NASA Astrophysics Data System (ADS)
Chiu Huang, Cheng-Kai
Advancing lithium-ion battery technology is of paramount importance for satisfying the energy storage needs in the U.S., especially for the application in the electric vehicle industry. To provide a better acceleration for electric vehicles, a fast and repeatable discharging rate is required. However, particle fractures and capacity loss have been reported under high current rate (C-rate) during charging/discharging and after a period of cycling. During charging and discharging, lithium ions extract from and intercalate into electrode materials accompanied with the volume change and phase transition between Li-rich phase and Li-poor phase. It is suggested that the diffusion-induced-stress is one of the main reasons causing capacity loss due to the mechanical degradation of electrode particles. Therefore, there is a fundamental need to provide a mechanistic understanding by considering the structure-mechanics-property interactions in lithium-ion battery materials. Among many cathode materials, the olivine-based lithium-iron-phosphate (LiFePO4) with an orthorhombic crystal structure is one of the promising cathode materials for the application in electric vehicles. In this research we first use a multiphysic approach to investigate the stress evolution, especially on the phase boundary during lithiation in single LiFePO4 particles. A diffusion-controlled finite element model accompanied with the experimentally observed phase boundary propagation is developed via a finite element package, ANSYS, in which lithium ion concentration-dependent anisotropic material properties and volume misfits are incorporated. The stress components on the phase boundary are used to explain the Mode I, Mode II, and Mode III fracture propensities in LiFePO4 particles. The elastic strain energy evolution is also discussed to explain why a layer-by-layer lithium insertion mechanism (i.e. first-order phase transformation) is energetically preferred. Another importation issue is how current rate (C-rate) during charging/discharging affects diffusion induced stresses inside electrode materials. For the experimental part we first conduct charging/discharging under different C-rates to observe the voltage responses for commercial LiFePO4 batteries. Then Time-of-Flight Secondary Ion Mass Spectrometry technique is applied to measure the lithium ion intensities in different C-rate charged/discharged samples. These experimental results could be used to support that a more significant voltage fluctuation under high C-rates is due to different lithium insertion mechanisms, rather than the amount of lithium ions intercalated into electrode materials. Thus the investigation of C-rate-dependent stress evolution is required for the development of a more durable lithium ion battery. In this dissertation, we extend the single particle finite element model to investigate the C-rate-dependent diffusion induced stresses in a multi-particle system. Concentration dependent anisotropic material properties, C-rate-dependent volume misfits and concentration dependent Li-ion diffusivity are incorporated in the model. The concentration gradients, diffusion induced stresses, and strain energies under different C-rates are discussed in this study. Particle fractures have been observed in many experimental results, in this study we further discuss the effect of the crack surface orientation on the lithium concentration profile and stress level in cathode materials. The results of this dissertation provide a better understanding of diffusion induced stresses in electrode materials and contribute to our fundamental knowledge of interplay between lithium intercalations, stress evolutions, particle fractures and the capacity fade in lithium-ion batteries.
Yang, Yunjun; Gao, Lingyun; Fu, Jun; Zhang, Jun; Li, Yuxin; Yin, Bo; Chen, Weijian; Geng, Daoying
2013-01-01
Supratentorial cerebral infarction can cause functional inhibition of remote regions such as the cerebellum, which may be relevant to diaschisis. This phenomenon is often analyzed using positron emission tomography and single photon emission CT. However, these methods are expensive and radioactive. Thus, the present study quantified the changes of infarction core and remote regions after unilateral middle cerebral artery occlusion using apparent diffusion coefficient values. Diffusion-weighted imaging showed that the area of infarction core gradually increased to involve the cerebral cortex with increasing infarction time. Diffusion weighted imaging signals were initially increased and then stabilized by 24 hours. With increasing infarction time, the apparent diffusion coefficient value in the infarction core and remote bilateral cerebellum both gradually decreased, and then slightly increased 3–24 hours after infarction. Apparent diffusion coefficient values at remote regions (cerebellum) varied along with the change of supratentorial infarction core, suggesting that the phenomenon of diaschisis existed at the remote regions. Thus, apparent diffusion coefficient values and diffusion weighted imaging can be used to detect early diaschisis. PMID:25206615
NASA Astrophysics Data System (ADS)
Chamssedine, F.; Sauvage, T.; Peuget, S.; Fares, T.; Martin, G.
2010-05-01
The immobilization of fission products and minor actinides by vitrification is the reference process for industrial management of high-level radioactive wastes generated by spent fuel reprocessing. Radiation damage and radiogenic helium accumulation must be specifically studied to evaluate the effects of minor actinide alpha decay on the glass long-term behavior under repository conditions. A specific experimental study was conducted for a comprehensive evaluation of the behavior of helium and its diffusion mechanisms in borosilicate nuclear waste glass. Helium production was simulated by external implantation with 3He ions at a concentration (?1 at.%) 30 times higher than obtained after 10,000 years of storage. Helium diffusion coefficients as a function of temperature were extracted from the depth profiles after annealing. The 3He(d,?) 1H nuclear reaction analysis (NRA) technique was successfully adopted for low-temperature in situ measurements of depth profiles. Its high depth resolution revealed helium mobility at temperatures as low as 253 K and the presence of a trapped helium fraction. The diffusion coefficients of un-trapped helium atoms follow an Arrhenius law between 253 K and 323 K. An activation energy of 0.55 ± 0.03 eV was determined, which is consistent with a process controlled by diffusion in the glass free volume.
Surface diffusion coefficient of Au atoms on single layer graphene grown on Cu
Ruffino, F., E-mail: francesco.ruffino@ct.infn.it; Cacciato, G.; Grimaldi, M. G. [Dipartimento di Fisica ed Astronomia-Universitá di Catania, via S. Sofia 64, 95123 Catania, Italy and MATIS IMM-CNR, via S. Sofia 64, 95123 Catania (Italy)
2014-02-28
A 5?nm thick Au film was deposited on single layer graphene sheets grown on Cu. By thermal processes, the dewetting phenomenon of the Au film on the graphene was induced so to form Au nanoparticles. The mean radius, surface-to-surface distance, and surface density evolution of the nanoparticles on the graphene sheets as a function of the annealing temperature were quantified by scanning electron microscopy analyses. These quantitative data were analyzed within the classical mean-field nucleation theory so to obtain the temperature-dependent Au atoms surface diffusion coefficient on graphene: D{sub S}(T)=[(8.2±0.6)×10{sup ?8}]exp[?(0.31±0.02(eV)/(at) )/kT]?cm{sup 2}/s.
Luis F. Barraza; Joel B. Alderete; Verónica A. Jiménez; José A. Gavín
\\u000a Abstract The structure and diffusion behavior of the neutral and charged first-generation polyamidoamine (PAMAM-G1) dendrimer and its\\u000a ?-cyclodextrin (?-CD) conjugate in aqueous solutions were studied by molecular dynamics (MD) simulations. Diffusion coefficients\\u000a were obtained from mean square displacement data, considering 500-ps intervals of normal diffusive regime within three simulation\\u000a runs. Calculated diffusion coefficients were compared with experimental values obtained from diffusion
Grech-Sollars, Matthew; Saunders, Dawn E.; Phipps, Kim P.; Clayden, Jonathan D.; Clark, Chris A.
2012-01-01
Embryonal brain tumors constitute a large and important subgroup of pediatric brain tumors. Apparent diffusion coefficient (ADC) measures have been previously used in the analysis of these tumors. We investigated a newly described ADC-derived parameter, the apparent transient coefficient in tumor (ATCT), a measure of the gradient change of ADC from the peri-tumoral edema into the tumor core, to study whether ATCT correlates with survival outcome. Sixty-one patients with histologically proven embryonal brain tumors and who had diffusion-weighted imaging (DWI) as part of their clinical imaging were enrolled in a retrospective study correlating ADC measures with survival. Kaplan-Meier survival curves were constructed for extent of surgical resection, age <3 years at diagnosis, tumor type, and metastasis at presentation. A multivariate survival analysis was performed that took into consideration ATCT and variables found to be significant in the Kaplan-Meier analysis as covariates. Results from the multivariate analysis showed that ATCT was the only significant covariate (P < .001). Survival analysis using Kaplan-Meier curves, dividing the patients into 4 groups of increasing values of ATCT, showed that more negative values of ATCT were significantly associated with a poorer prognosis (P < .001). A statistically significant difference was observed for survival data with respect to the change in ADC from edema into the tumor volume. Results show that more negative ATCT values are significantly associated with a poorer survival among children with embryonal brain tumors, irrespective of tumor type, extent of resection, age <3 years at diagnosis, and metastasis at presentation. PMID:22954494
Fast-ion diffusion measurements from radial triton burn up studies
McCauley, J.S.; Budny, R.; McCune, D.; Strachan, J.D.
1993-08-01
A fast-ion diffusion coefficient of 0.1 {plus_minus} 0.1 m{sup 2}s{sup {minus}1} has been deduced from the triton burnup neutron emission profile measured by a collimated array of helium-4 spectrometers. The experiment was performed with high-power deuterium discharges produced by Princeton University`s Tokamak Fusion Test Reactor (TFTR). The fast ions monitored were the 1.0 MeV tritons produced from the d(d,t)p. These tritons ``burn up`` with deuterons and emit a 14 MeV neutron by the d(t,{alpha})n reaction. The ratio of the measured to calculated DT yield is typically 70%. The measured DT profile width is comparable to that predicted by the TRANSP transport code during neutral beam heating and narrower after the beam heating ended.
Remote sensing of the diffuse attenuation coefficient of ocean water. [coastal zone color scanner
NASA Technical Reports Server (NTRS)
Austin, R. W.
1981-01-01
A technique was devised which uses remotely sensed spectral radiances from the sea to assess the optical diffuse attenuation coefficient, K (lambda) of near-surface ocean water. With spectral image data from a sensor such as the coastal zone color scanner (CZCS) carried on NIMBUS-7, it is possible to rapidly compute the K (lambda) fields for large ocean areas and obtain K "images" which show synoptic, spatial distribution of this attenuation coefficient. The technique utilizes a relationship that has been determined between the value of K and the ratio of the upwelling radiances leaving the sea surface at two wavelengths. The relationship was developed to provide an algorithm for inferring K from the radiance images obtained by the CZCS, thus the wavelengths were selected from those used by this sensor, viz., 443, 520, 550 and 670 nm. The majority of the radiance arriving at the spacecraft is the result of scattering in the atmospheric and is unrelated to the radiance signal generated by the water. A necessary step in the processing of the data received by the sensor is, therefore, the effective removal of these atmospheric path radiance signals before the K algorithm is applied. Examples of the efficacy of these removal techniques are given together with examples of the spatial distributions of K in several ocean areas.
Stuart Batterman; Iyer Padmanabham; Paul Milne
1996-01-01
This paper focuses on techniques used to measure and predict effective gas-phase diffusion coefficients for volatile organic compounds in soils. Large differences found among the existing correlations for the effective diffusion coefficient, laboratory tests, and field experiments indicate the need for accurate measurements of diffusion parameters in soils. The theory, techniques, and experimental issues involved in laboratory measurements are summarized.
Dynamics and absorption properties of stochastic equations with Hölder diffusion coefficients
NASA Astrophysics Data System (ADS)
Touboul, Jonathan; Wainrib, Gilles
2015-07-01
In this article, we characterize the dynamics and absorption properties of a class of stochastic differential equations around singular points where both the drift and diffusion functions vanish. According to the Hölder coefficient ? of the diffusion function around the singular point, we identify different regimes: a regime where the solutions almost surely reach the singular point in finite time, and regimes of exponential attraction or repulsion from the singular point. Stability of the absorbing state, large deviations for the absorption time, existence of stationary or quasi-stationary distributions are discussed. In particular, we show that quasi-stationary distributions only exist for ? < 3 / 4, and for ? ?(3 / 4 , 1) , no quasi-stationary distribution is found and numerical simulations tend to show that the process conditioned on not being absorbed initiates an almost sure exponential convergence towards the absorbing state (as is demonstrated to be true for ? = 1). These results have several implications in the understanding of stochastic bifurcations, and we completely unfold two generic situations: the pitchfork and saddle-node bifurcations, and discuss the Hopf bifurcation in the appendix.
Small effect of water on upper-mantle rheology based on silicon self-diffusion coefficients.
Fei, Hongzhan; Wiedenbeck, Michael; Yamazaki, Daisuke; Katsura, Tomoo
2013-06-13
Water has been thought to affect the dynamical processes in the Earth's interior to a great extent. In particular, experimental deformation results suggest that even only a few tens of parts per million of water by weight enhances the creep rates in olivine by orders of magnitude. However, those deformation studies have limitations, such as considering only a limited range of water concentrations and very high stresses, which might affect the results. Rock deformation can also be understood as an effect of silicon self-diffusion, because the creep rates of minerals at temperatures as high as those in the Earth's interior are limited by self-diffusion of the slowest species. Here we experimentally determine the silicon self-diffusion coefficient DSi in forsterite at 8?GPa and 1,600?K to 1,800?K as a function of water content CH2O from less than 1 to about 800 parts per million of water by weight, yielding the relationship, DSi???(CH2O)(1/3). This exponent is strikingly lower than that obtained by deformation experiments (1.2; ref. 7). The high nominal creep rates in the deformation studies under wet conditions may be caused by excess grain boundary water. We conclude that the effect of water on upper-mantle rheology is very small. Hence, the smooth motion of the Earth's tectonic plates cannot be caused by mineral hydration in the asthenosphere. Also, water cannot cause the viscosity minimum zone in the upper mantle. And finally, the dominant mechanism responsible for hotspot immobility cannot be water content differences between their source and surrounding regions. PMID:23765497
Apparent diffusion coefficient values of normal testis and variations with age.
Tsili, Athina C; Giannakis, Dimitrios; Sylakos, Anastasios; Ntorkou, Alexandra; Astrakas, Loukas G; Sofikitis, Nikolaos; Argyropoulou, Maria I
2014-01-01
The usefulness of diffusion-weighted magnetic resonance imaging (DWI) in the evaluation of scrotal pathology has recently been reported. A standard reference of normal testicular apparent diffusion coefficient (ADC) values and their variations with age is necessary when interpreting normal testicular anatomy and pathology. We evaluated 147 normal testes using DWI, including 71 testes from 53 men aged 20-39 years (group 1), 67 testes from 42 men aged 40-69 years (group 2) and nine testes from six men older than 70 years (group 3). DWI was performed along the axial plane, using a single shot, multislice spin-echo planar diffusion pulse sequence and b-values of 0 and 900 s mm-2 . The mean and standard deviation of the ADC values of normal testicular parenchyma were calculated for each age group separately. Analysis of variance (ANOVA) followed by post hoc analysis (Dunnett T3) was used for statistical purposes. The ADC values (× 10-3 mm 2 s-1 ) of normal testicular tissue were different among age groups (group 1: 1.08 ± 0.13; group 2: 1.15 ± 0.15 and group 3: 1.31 ± 0.22). ANOVA revealed differences in mean ADC among age groups (F = 11.391, P < 0.001). Post hoc analysis showed differences between groups 1 and 2 (P = 0.008) and between groups 1 and 3 (P = 0.043), but not between groups 2 and 3 (P = 0.197). Our findings suggest that ADC values of normal testicular tissue increase with advancing age. PMID:24556745
First-principles binary diffusion coefficients for H, H?, and four normal alkanes + N?.
Jasper, Ahren W; Kamarchik, Eugene; Miller, James A; Klippenstein, Stephen J
2014-09-28
Collision integrals related to binary (dilute gas) diffusion are calculated classically for six species colliding with N2. The most detailed calculations make no assumptions regarding the complexity of the potential energy surface, and the resulting classical collision integrals are in excellent agreement with previous semiclassical results for H + N2 and H2 + N2 and with recent experimental results for CnH(2n+2) + N2, n = 2-4. The detailed classical results are used to test the accuracy of three simplifying assumptions typically made when calculating collision integrals: (1) approximating the intermolecular potential as isotropic, (2) neglecting the internal structure of the colliders (i.e., neglecting inelasticity), and (3) employing unphysical R(-12) repulsive interactions. The effect of anisotropy is found to be negligible for H + N2 and H2 + N2 (in agreement with previous quantum mechanical and semiclassical results for systems involving atomic and diatomic species) but is more significant for larger species at low temperatures. For example, the neglect of anisotropy decreases the diffusion coefficient for butane + N2 by 15% at 300 K. The neglect of inelasticity, in contrast, introduces only very small errors. Approximating the repulsive wall as an unphysical R(-12) interaction is a significant source of error at all temperatures for the weakly interacting systems H + N2 and H2 + N2, with errors as large as 40%. For the normal alkanes in N2, which feature stronger interactions, the 12/6 Lennard-Jones approximation is found to be accurate, particularly at temperatures above ?700 K where it predicts the full-dimensional result to within 5% (although with somewhat different temperature dependence). Overall, the typical practical approach of assuming isotropic 12/6 Lennard-Jones interactions is confirmed to be suitable for combustion applications except for weakly interacting systems, such as H + N2. For these systems, anisotropy and inelasticity can safely be neglected but a more detailed description of the repulsive wall is required for quantitative predictions. A straightforward approach for calculating effective isotropic potentials with realistic repulsive walls is described. An analytic expression for the calculated diffusion coefficient for H + N2 is presented and is estimated to have a 2-sigma error bar of only 0.7%. PMID:25273443
First-principles binary diffusion coefficients for H, H2, and four normal alkanes + N2
NASA Astrophysics Data System (ADS)
Jasper, Ahren W.; Kamarchik, Eugene; Miller, James A.; Klippenstein, Stephen J.
2014-09-01
Collision integrals related to binary (dilute gas) diffusion are calculated classically for six species colliding with N2. The most detailed calculations make no assumptions regarding the complexity of the potential energy surface, and the resulting classical collision integrals are in excellent agreement with previous semiclassical results for H + N2 and H2 + N2 and with recent experimental results for CnH2n+2 + N2, n = 2-4. The detailed classical results are used to test the accuracy of three simplifying assumptions typically made when calculating collision integrals: (1) approximating the intermolecular potential as isotropic, (2) neglecting the internal structure of the colliders (i.e., neglecting inelasticity), and (3) employing unphysical R-12 repulsive interactions. The effect of anisotropy is found to be negligible for H + N2 and H2 + N2 (in agreement with previous quantum mechanical and semiclassical results for systems involving atomic and diatomic species) but is more significant for larger species at low temperatures. For example, the neglect of anisotropy decreases the diffusion coefficient for butane + N2 by 15% at 300 K. The neglect of inelasticity, in contrast, introduces only very small errors. Approximating the repulsive wall as an unphysical R-12 interaction is a significant source of error at all temperatures for the weakly interacting systems H + N2 and H2 + N2, with errors as large as 40%. For the normal alkanes in N2, which feature stronger interactions, the 12/6 Lennard-Jones approximation is found to be accurate, particularly at temperatures above ˜700 K where it predicts the full-dimensional result to within 5% (although with somewhat different temperature dependence). Overall, the typical practical approach of assuming isotropic 12/6 Lennard-Jones interactions is confirmed to be suitable for combustion applications except for weakly interacting systems, such as H + N2. For these systems, anisotropy and inelasticity can safely be neglected but a more detailed description of the repulsive wall is required for quantitative predictions. A straightforward approach for calculating effective isotropic potentials with realistic repulsive walls is described. An analytic expression for the calculated diffusion coefficient for H + N2 is presented and is estimated to have a 2-sigma error bar of only 0.7%.
Olson, A; Pugh, E N
1993-01-01
Experiments have demonstrated that single photoisomerizations in amphibian and primate rods can cause the suppression of 3-5% of the dark circulating current at the response peak (Baylor, D. A., T. D. Lamb, and K. W. Yau. 1979. J. Physiol. (Lond.). 288:613-634; Baylor, D. A., B. J. Nunn, and J. L. Schnapf. 1984. J. Physiol. (Lond.). 357:575-607). These results indicate that the change in [cGMP] effected by a single isomerization must spread longitudinally over at least the corresponding fractional length of the outer segment. The effective longitudinal diffusion coefficient, Dx, of cGMP is thus an important determinant of rod sensitivity. We report here measurements of the effective longitudinal diffusion coefficients, Dx, of two fluorescently labeled molecules: 5/6-carboxyfluorescein and 8-(fluoresceinyl)thioguanosine 3',5'-cyclic monophosphate, introduced into detached outer segments via whole-cell patch electrodes. For these compounds, the average time for equilibration of the entire outer segment with the patch pipette was approximately 6 min. Fluorescence images of rods were analyzed with a one-dimensional diffusion model that included limitations on transfer between the electrode and outer segment and the effects of intracellular binding of the dyes. The analyses yielded estimates of Dx of 1.9 and 1.0 microns 2.s-1 for the two dyes. It is shown that these results place an upper limit on Dx for cGMP of 11 microns2.s-1. The actual value of Dx for cGMP in the rod will depend on the degree of intracellular binding of cGMP. Estimates of the effective buffering power for cGMP in the rod at rest range from two to six (Lamb and Pugh, 1992; Cote and Brunnock, 1993). When combined with these estimates, our results predict that for cGMP itself, Dx falls within the range of 1.4-5.5 microns 2.s-1. Images FIGURE 5 FIGURE 6 PMID:8241412
Gendron, P-O; Avaltroni, F; Wilkinson, K J
2008-11-01
Rhodamine derivatives are popular, photostable fluorophores that are used in a number of fluorescent based techniques, including fluorescence correlation spectroscopy (FCS). Indeed, in FCS, both rhodamine 6G (R6G) and rhodamine 110 (R110) are used as calibration standards to determine the dimensions of the instrument confocal volume. In spite of a requirement for precise values of the diffusion coefficients, literature values are scarce and vary over an order of magnitude. In this paper, the diffusion coefficients of four rhodamine fluorophores (rhodamine 6G (R6G), rhodamine B (RB), rhodamine 123 (R123), rhodamine 110 (R110)) were determined by pulsed field gradient nuclear magnetic resonance (PFG-NMR) spectrometry and then validated by comparison with fluorescence correlation spectroscopy. With the objective of validating the FCS calibration, diffusion coefficients of several dextrans and a polystyrene nanoparticle were also determined and compared with literature values or theoretical values that were based upon the Stoke-Einstein equation. The work presented here lead us to conclude that the diffusion coefficients for R6G and R110 have generally been underestimated in the literature. We propose revised values of 4.4x10(-10) m2 s(-1) for R110 and 4.0x10(-10) m2 s(-1) for R6G. Using the revised D value for R110 to calibrate the FCS instrument, diffusion coefficients have then been systematically determined for different conditions of pH, ionic strength and concentration. To correct for differences due to solvent effects (D2O vs. H2O), an isotopic correction factor, DD2O/DH2O of 1.23, was determined from both FCS and from the solvent auto-diffusion coefficients obtained by NMR. PMID:18431548
Danel, J-F; Kazandjian, L; Zérah, G
2012-06-01
Computations of the self-diffusion coefficient and viscosity in warm dense matter are presented with an emphasis on obtaining numerical convergence and a careful evaluation of the standard deviation. The transport coefficients are computed with the Green-Kubo relation and orbital-free molecular dynamics at the Thomas-Fermi-Dirac level. The numerical parameters are varied until the Green-Kubo integral is equal to a constant in the t?+? limit; the transport coefficients are deduced from this constant and not by extrapolation of the Green-Kubo integral. The latter method, which gives rise to an unknown error, is tested for the computation of viscosity; it appears that it should be used with caution. In the large domain of coupling constant considered, both the self-diffusion coefficient and viscosity turn out to be well approximated by simple analytical laws using a single effective atomic number calculated in the average-atom model. PMID:23005237
Preferential interaction coefficient for nucleic acids and other cylindrical poly-ions
E. Trizac; G. Tellez
2007-04-04
The thermodynamics of nucleic acid processes is heavily affected by the electric double-layer of micro-ions around the polyions. We focus here on the Coulombic contribution to the salt-polyelectrolyte preferential interaction (Donnan) coefficient and we report extremely accurate analytical expressions valid in the range of low salt concentration (when polyion radius is smaller than the Debye length). The analysis is performed at Poisson-Boltzmann level, in cylindrical geometry, with emphasis on highly charged poly-ions (beyond ``counter-ion condensation''). The results hold for any electrolyte of the form $z_-$:$z_+$. We also obtain a remarkably accurate expression for the electric potential in the vicinity of the poly-ion.
Heavy quark diffusion in the pre-equilibrium stage of heavy ion collisions
NASA Astrophysics Data System (ADS)
Das, Santosh K.; Ruggieri, Marco; Mazumder, Surasree; Greco, Vincenzo; Alam, Jan-e.
2015-09-01
The drag and diffusion coefficients of heavy quarks (HQs) have been evaluated in the pre-equilibrium phase of the evolving fireball produced in heavy ion collisions at relativistic heavy ion collider and Large Hadron Collider energies. KLN and classical Yang–Mills spectra have been used for describing the momentum distributions of the gluons produced just after the collisions but before they thermalize. The interaction of the HQs with these gluons has been treated within the framework of perturbative quantum chromodynamics. We have observed that the HQs are dragged almost equally by the kinetically equilibrated and out-of-equilibrium gluonic systems. We have also noticed that the HQ diffusion in the pre-equilibrium gluonic phase is as fast as in the kinetically equilibrated gluons. Moreover, the diffusion is faster in the pre-equilibrium phase than in the chemically equilibrated quark–gluon plasma. These findings may have significant impact on the analysis of experimental results on the elliptic flow and the high momentum suppression of the open charm and beauty hadrons.
NASA Astrophysics Data System (ADS)
Bashkatov, Alexey N.; Genina, Elina A.; Kochubey, Vyacheslav I.; Tuchin, Valery V.; Chikina, Elena E.; Knyazev, Anatoly B.; Mareev, Oleg V.
2005-06-01
The optical properties of human maxillary sinus mucosa were measured in the wavelength range 400-2000 nm. The measurements were carried out using the commercially available spectrophotometer with the integrating sphere. The inverse adding-doubling method has been used to determine the absorption and reduced scattering coefficients from the measurements. Diffusion of Methylene Blue in the mucous tissue has been studied in vitro and value of the diffusion coefficient of Methylene Blue in the tissue has been estimated at 20°C as (4.77+/-2.9)x10-7 cm2/sec.
Inhomogeneous Big Bang Nucleosynthesis and Mutual Ion Diffusion
Elina Keihanen
2002-06-12
We present a study of inhomogeneous big bang nucleosynthesis with emphasis on transport phenomena. We combine a hydrodynamic treatment to a nuclear reaction network and compute the light element abundances for a range of inhomogeneity parameters. We find that shortly after annihilation of electron-positron pairs, Thomson scattering on background photons prevents the diffusion of the remaining electrons. Protons and multiply charged ions then tend to diffuse into opposite directions so that no net charge is carried. Ions with Z>1 get enriched in the overdense regions, while protons diffuse out into regions of lower density. This leads to a second burst of nucleosynthesis in the overdense regions at T<20 keV, leading to enhanched destruction of deuterium and lithium. We find a region in the parameter space at 2.1E-10
G. S. Hurst; J. E. Parks
1966-01-01
The time-of-flight method for the determination of electron diffusion coefficients D and drift velocities w of electrons in gases has been improved in two essential ways. First, an accurate method of measuring all fluctuation in the time-of-flight distribution, except that due to the diffusion process itself, has been developed. Second, a data analysis procedure has been worked out in which
O. P. Kabanova; D. N. Timofeev
1963-01-01
1.We investigated the adsorption kinetics of water vapor on NaA and NaX granulated zeolites at a concentration of 1.75 mg\\/liter, 20°C and different carrier-gas velocities.2.At a current velocity of 1.4 m\\/sec the approximate value of the diffusion coefficient may be calculated from the equation for internal diffusion, i.e., on the assumption that external mass exchange is infinitely rapid.3.A measurement procedure
Ingrid Åslund; Daniel Topgaard
2009-01-01
A new pulsed-gradient spin-echo NMR protocol for assessing the local self-diffusion coefficient D0 of water confined within living cells is proposed. Equations for the apparent mean-square displacement
Injection of Heavy Ions Into Diffusive Shock Acceleration
NASA Astrophysics Data System (ADS)
Sandroos, A.; Vainio, R.
2008-12-01
Solar energetic particle events are commonly divided into gradual and impulsive events, with diffusive shock acceleration (DSA) and acceleration in resonant wave processes in solar flares as the main acceleration mechanisms, respectively. The gradual events typically have much larger particle intensities and coronal elemental abundances, while impulsive events typically show higher mean ionic charges, enhanced 3He/4He ratio, and enhanced heavy ion abundances. However, gradual events have been shown to be highly variable in their heavy ion statistics at the highest energies, with some events showing characteristics typical to impulsive events. One proposed solution to this variability is a selective acceleration at shock waves driven by coronal mass ejections, and a compound seed population consisting of coronal / solar wind plasma and ions preaccelerated by flares. The idea of selective shock acceleration is sensitive to the injection threshold, i.e., to the factors that determine whether or not a given incident ion is picked up by the DSA mechanism. Such factors are, for example, speed of the incident ion, shock obliquity angle, and the level of turbulence in the electromagnetic field. We have previously studied the injection of heavy ions using Monte Carlo simulations, which confirm the idea of selective ion injection. However, in these simulations, self-consistent modeling of particle transport perpendicular to the mean magnetic field is not included. In the present work, we use a self-consistent quasi- neutral hybrid simulation to study the injection problem. Results from the two numerical approaches are compared and their similarities and differences discussed.
Electron-Ion Recombination Rate Coefficient Measurements in a Flowing Afterglow Plasma
NASA Technical Reports Server (NTRS)
Gougousi, Theodosia; Golde, Michael F.; Johnsen, Rainer
1996-01-01
The flowing-afterglow technique in conjunction with computer modeling of the flowing plasma has been used to determine accurate dissociative-recombination rate coefficients alpha for the ions O2(+), HCO(+), CH5(+), C2H5(+), H3O(+), CO2(+), HCO2(+), HN2O(+), and N2O(+) at 295 K. We find that the simple form of data analysis that was employed in earlier experiments was adequate and we largely confirm earlier results. In the case of HCO(+) ions, published coefficients range from 1.1 X 10(exp -7) to 2.8 x 10(exp -7) cu cm/S, while our measurements give a value of 1.9 x 10(exp -7) cu cm/S.
Licona-Sánchez, T de J; Alvarez-Romero, G A; Mendoza-Huizar, L H; Galán-Vidal, C A; Palomar-Pardavé, M; Romero-Romo, M; Herrera-Hernández, H; Uruchurtu, J; Juárez-García, J M
2010-08-01
A kinetic study for the electrosynthesis of polypyrrole (Ppy) doped with SO(4)(2-) ions is presented. Ppy films were electrochemically polymerized onto a graphite-epoxy resin electrode. Experimental current density transients (j-t) were obtained for three different potentiometric behaviors: anionic, cationic, and a combination. Theoretical models were used to fit the experimental j-t data to determine the nucleation and growth processes controlling the polymer synthesis. It was encountered that, in all cases, pyrrole electropolimerization involves two concomitant processes, namely, a Ppy diffusion limited multiple 3D nucleation and growth and pyrrole electro-oxidation on the growing surface of the Ppy nuclei. SEM analysis of the electrodes surfaces reveals that Ppy deposition occurred over most of the electrode surface by multiple nucleation of hemispheres, as the theoretical model used for the analysis of the current transients required. Hemispherical particles formed the polymeric film displaying different sizes. The order for the particle size was as follows: anionic > anionic-cationic > cationic. These results are congruent with those obtained by theoretical analysis of the corresponding current transients. Analysis of the impedance measurements recorded on the anionic Ppy film, immersed in an aqueous solution with different sulfate ion concentrations evidenced that SO(4)(2-) ions diffuse through the Ppy film provoking a decrease of its electrical resistance and an increase of its dielectric constant. From the Warburg impedance coefficient, the sulfate coefficient of diffusion in the Ppy film was 1.38 x 10(-9) cm(2) s(-1). PMID:20666517
Park, Sung Yoon; Kim, Chan Kyo; Park, Byung Kwan; Park, Won; Park, Hee Chul; Han, Deok Hyun; Kim, Bohyun
2012-06-01
Purpose: To investigate the feasibility of diffusion-weighted MRI (DWI) as an early and reproducible change indicator in patients receiving radiotherapy for prostate cancer (PC). Methods and Materials: Eight consecutive patients with biopsy-proven PC underwent DWI at 3T. All patients who received external-beam radiotherapy had four serial MR scans, as follows: before therapy (PreTx); after 1 week of therapy (PostT1); after 3 weeks of therapy (PostT2); and 1 month after the completion of therapy (PostT3). At each time, the apparent diffusion coefficient (ADC) was measured in tumors and normal tissues. For reproducibility of the ADC measurement, five patients also had two separate pretreatment DWI scans at an interval of <2 weeks. Serum prostate-specific antigen (PSA) levels were evaluated at the same time as MR scans. Results: Thirteen tumors (peripheral zone = 10; transition zone = 3) were found. The mean ADC values for the tumors from PreTx to PostT3 were 0.86, 1.03, 1.15, and 1.26 Multiplication-Sign 10{sup -3} mm{sup 2}/s in sequence, respectively. Compared with PreTx, PostT1 (p = 0.005), PostT2 (p = 0.003), and PostT3 (p < 0.001) showed a significant increase in ADC values. The mean ADC values of the benign tissues from PreTx to PostT3 were 1.60, 1.58, 1.47, and 1.46 Multiplication-Sign 10{sup -3} mm{sup 2}/s in sequence, respectively. Reproducibility of ADC measurements was confirmed with a mean difference in ADC of -0.04 in peripheral zone and -0.017 in transition zone between two separate pretreatment MR scans. The mean PSA levels from PreTx to PostT3 were 9.05, 9.18, 9.25, and 4.11 ng/mL in sequence, respectively. Conclusions: DWI, as a reproducible biomarker, has the potential to evaluate the early therapeutic changes of PC to radiotherapy.
Tianqing Liu; Jinxin Xu; Rong Guo
2006-01-01
The diffusion coefficient of methylene blue (MB) is determined by the method of non-probe microelectrode voltammetry in sodium dodecyl sulfate (SDS)\\/n-C5H11OH\\/H2O lyotropic liquid crystal system. The results obtained show that the diffusion coefficient of MB increases with water and n-pentanol contents in the microemulsions and the lyotropic liquid crystal but decreases with SDS content. The diffusion coefficient of SDS droplet
NASA Astrophysics Data System (ADS)
Song, Weixin; Ji, Xiaobo; Wu, Zhengping; Yang, Yingchang; Zhou, Zhou; Li, Fangqian; Chen, Qiyuan; Banks, Craig E.
2014-06-01
NASICON-type Na3V2(PO4)2F3 is employed as a promising cathode for sodium-ion batteries in order to explore the ion-migration mechanism and diffusion capability. Two kinds of Na sites, namely Na(1) site and Na(2) site exist in the crystal structure per formula unit to accommodate a total of three sodium ions. The ion at Na(2) site with half occupation extracts first and inserts the last due to its high chemical potential, while the whole extraction/insertion of two ions between 1.6 and 4.6 V vs. Na+/Na can produce three plateaus in charge/discharge processes because of the reorganization of ions. The first discharge capacity of 111.6 mAh g-1 with retention of 97.6% after 50 cycles could be obtained by electrochemical testing at 0.091C. Electrochemical activation and/or structural reorganization of the system by cycling could improve the diffusion coefficient of sodium with a comparatively large magnitude of 10-12 cm2 s-1, though many influences on the resistance factors also can be attributed to the cycling process. Such work is of fundamental importance to the progression of sodium-based batteries to be fully realized and be implemented over existing Li-ion based batteries.
Shalchi, A., E-mail: andreasm4@yahoo.com [Department of Physics and Astronomy, University of Manitoba, Winnipeg, Manitoba R3T 2N2 (Canada)
2014-01-10
We explore perpendicular diffusion based on the unified nonlinear transport theory. In Paper I, we focused on magnetostatic turbulence, whereas in the present article we include dynamical turbulence effects. For simplicity, we assume a constant correlation time. We show that there is now a nonvanishing contribution of the slab modes. We explore the parameter regimes in which the turbulence dynamics becomes important for perpendicular diffusion. Analytical forms for the perpendicular diffusion coefficient are derived, which can be implemented easily in solar modulation or shock acceleration codes.
NASA Astrophysics Data System (ADS)
Konstankevych, Ivan V.; Zorenko, Yuri V.; Pashkovsky, M.; Batentschuk, M.
2001-06-01
This work is dedicated to investigation of the processes of obtaining thin single crystalline layers of storage phosphors based on KBr and KCl by means of diffusive methods with the aim of their possible application as spatial resolution image plates for digital radiography systems. The activator diffusion coefficient and its distribution along the thickness of the diffusive structure (DS) have been determined. The factors, which affect -- the structural perfection and DS optical quality have been analyzed. The peculiarities of photostimulate luminescence (PSL) processes in DS based on KBr and KCl doped with In and Tl ions, prepared at different temperatures of the diffusive process have been considered. It has been shown that PSL of DS KBr:Tl,In obtained at 600 - 650 degrees Celsius consists in the radiative recombination of electrons on the hole centers formed by cationic vacancies, whereas in the DS prepared at Tdif> 700 degrees Celsius the recombination on the Tl and In activator centers is predominant.
NASA Astrophysics Data System (ADS)
Guilet, Jérôme; Ogilvie, Gordon I.
2012-08-01
Standard models of accretion discs study the transport of mass on a viscous time-scale but do not consider the transport of magnetic flux. The evolution of a large-scale poloidal magnetic field is, however, an important problem because of its role in the launching of jets and winds and in determining the intensity of turbulence. As a consequence, the transport of poloidal magnetic flux should be considered on an equal basis to the transport of mass. In this paper, we develop a formalism to study such a transport of mass and magnetic flux in a thin accretion disc. The governing equations are derived by performing an asymptotic expansion in the limit of a thin disc, in the regime where the magnetic field is dominated by its vertical component. Turbulent viscosity and resistivity are included, with an arbitrary vertical profile that can be adjusted to mimic the vertical structure of the turbulence. At a given radius and time, the rates of transport of mass and magnetic flux are determined by a one-dimensional problem in the vertical direction, in which the radial gradients of various quantities appear as source terms. We solve this problem to obtain the transport rates and the vertical structure of the disc. This paper is then restricted to the idealized case of uniform diffusion coefficients, while a companion paper will study more realistic vertical profiles of these coefficients. We show the advection of weak magnetic fields to be significantly faster than the advection of mass, contrary to what a crude vertical averaging might suggest. This results from the larger radial velocities away from the mid-plane, which barely affect the mass accretion owing to the low density in these regions but do affect the advection of magnetic flux. Possible consequences of this larger accretion velocity include a potentially interesting time dependence with the magnetic flux distribution evolving faster than the mass distribution. If the disc is not too thin, this fast advection may also partially solve the long-standing problem of too efficient diffusion of an inclined magnetic field.
Mónika Valiskó; Dezs? Boda
2014-09-15
We investigate the individual activity coefficients of pure 1:1 and 2:1 electrolytes using our theory that is based on the competition of ion-ion (II) and ion-water (IW) interactions (Vincze et al., J. Chem. Phys. 133, 154507, 2010). The II term is computed from Grand Canonical Monte Carlo simulations on the basis of the implicit solvent model of electrolytes using hard sphere ions with Pauling radii. The IW term is computed on the basis of Born's treatment of solvation using experimental hydration free energies. The two terms are coupled through the concentration-dependent dielectric constant of the electrolyte. With this approach we are able to reproduce the nonmonotonic concentration dependence of the mean activity coefficient of pure electrolytes qualitatively without using adjustable parameters. In this paper, we show that the theory can provide valuable insight into the behavior of individual activity coefficients too. We compare our theoretical predictions against experimental data measured by electrochemical cells containing ion-specific electrodes. As in the case of the mean activity coefficients, we find good agreement for 2:1 electrolytes, while the accuracy of our model is worse for 1:1 systems. This deviation in accuracy is explained by the fact that the two competing terms (II and IW) are much larger in the 2:1 case so errors in the two separate terms have less effects. The difference of the excess chemical potentials of cations and anions (the ratio of activity coefficients) is determined by asymmetries in the properties of the two ions: charge, radius, and hydration free energies.
NASA Astrophysics Data System (ADS)
Drozdov, Alexander; Mann, Ian; Baker, Daniel N.; Subbotin, Dmitriy; Ozeke, Louis; Shprits, Yuri; Kellerman, Adam
Two parameterizations of the resonant wave-particle interactions of electrons with ULF waves in the magnetosphere by Brautigam and Albert [2000] and Ozeke et al. [2012] are evaluated using the Versatile Electron Radiation Belt (VERB) diffusion code to estimate the effect of changing a diffusion coefficient on the radiation belt simulation. The period of investigation includes geomagnetically quiet and active time. The simulations take into account wave-particle interactions represented by radial diffusion transport, local acceleration, losses due to pitch-angle diffusion, and mixed diffusion. 1. Brautigam, D. H., and J. M. Albert (2000), Radial diffusion analysis of outer radiation belt electrons during the October 9, 1990, magnetic storm, J. Geophys. Res., 105(A1), 291-309, doi:10.1029/1999JA900344 2. Ozeke, L. G., I. R. Mann, K. R. Murphy, I. J. Rae, D. K. Milling, S. R. Elkington, A. A. Chan, and H. J. Singer (2012), ULF wave derived radiation belt radial diffusion coefficients, J. Geophys. Res., 117, A04222, doi:10.1029/2011JA017463.
Plata, Juan C.; Holbrook, Andrew B.; Marx, Michael; Salgaonkar, Vasant; Jones, Peter; Pascal-Tenorio, Aurea; Bouley, Donna; Diederich, Chris; Sommer, Graham; Pauly, Kim Butts
2015-01-01
Purpose: Evaluate whether a decrease in apparent diffusion coefficient (ADC), associated with loss of tissue viability (LOTV), can be observed during the course of thermal ablation of the prostate. Methods: Thermal ablation was performed in a healthy in vivo canine prostate model (N = 2, ages: 5 yr healthy, mixed breed, weights: 13–14 kg) using a transurethral high-intensity ultrasound catheter and was monitored using a strategy that interleaves diffusion weighted images and gradient-echo images. The two sequences were used to measure ADC and changes in temperature during the treatment. Changes in temperature were used to compute expected changes in ADC. The difference between expected and measured ADC, ADCDIFF, was analyzed in regions ranging from moderate hyperthermia to heat fixation. A receiver operator characteristic (ROC) curve analysis was used to select a threshold of detection of LOTV. Time of threshold activation, tLOTV, was compared with time to reach CEM43 = 240, tDOSE. Results: The observed relationship between temperature and ADC in vivo (2.2%/?°C, 1.94%–2.47%/?°C 95% confidence interval) was not significantly different than the previously reported value of 2.4%/?°C in phantom. ADCDIFF changes after correction for temperature showed a mean decrease of 25% in ADC 60 min post-treatment in regions where sufficient thermal dose (CEM43 > 240) was achieved. Following our ROC analysis, a threshold of 2.25% decrease in ADCDIFF for three consecutive time points was chosen as an indicator of LOTV. The ADCDIFF was found to decrease quickly (1–2 min) after reaching CEM43 = 240 in regions associated with heat fixation and more slowly (10–20 min) in regions that received slower heating. Conclusions: Simultaneous monitoring of ADC and temperature during treatment might allow for a more complete tissue viability assessment of ablative thermal treatments in the prostate. ADCDIFF decreases during the course of treatment may be interpreted as loss of tissue viability.
Relationship between Apparent Diffusion Coefficient and Tumour Cellularity in Lung Cancer
Chen, Yongfeng; Wang, Wenwei; Zhou, Xiangdong; Yan, Xiaochu; Wang, Jian
2014-01-01
Background and objective To prospectively investigate the relationship between the apparent diffusion coefficient (ADC) and cellularity in lung cancer. Methods Sixty patients histopathologically confirmed with lung cancer (41 men, 19 women) underwent diffusion-weighted magnetic resonance imaging of the chest (with b values of 50 and 1000 s/mm2). The median mean ADC (ADCmean) value and median minimum ADC (ADCmin) value within each primary tumour were calculated and compared with the median nucleo-cytoplasmic ratio (NCR), which was selected to represent the cellularity. The correlation between the NCR and ADCmean/ADCmin was calculated with SPSS 18.0 software. Results The mean ADCmean values, ADCmin values and median NCR were (1.07±0.12)×10?3 mm2/s, (0.86±0.14)×10?3 mm2/s, and (14.9±2.6) %, respectively, in adenocarcinoma; (0.88±0.10)×10?3 mm2/s, (0.73±0.12)×10?3 mm2/s, and (20.6±4.4) %, respectively, in squamous cell carcinoma; and (0.89±0.13)×10?3 mm2/s, (0.67±0.13)×10?3 mm2/s, and (18.3±3.5) %, respectively in small cell lung cancer. The NCR of squamous cell carcinoma and small cell lung cancer is greater than that of adenocarcinoma (P<0.01 and P?=?0.002, respectively). There was an inverse relationship between ADCmean/NCR and ADCmin/NCR (r?=??0.60, P?=?0.001 and r?=??0.47, P<0.001, respectively). Conclusion There is a significant inverse relationship between tumour cellularity and ADC in lung cancer. However, tumour cellularity most likely is not the sole determinant of the ADC. PMID:24919055
Time-resolved mapping of water diffusion coefficients in a working soft actuator device.
Naji, Leila; Chudek, John A; Baker, Richard T
2008-08-14
Diffusion-weighted imaging was employed to spatially map the distribution of the diffusion coefficient of water, D, in bare, water-soaked, Li(+)-exchanged, cast Nafion and in an ionic polymer-metal composite (IPMC) soft actuator element, prepared from this bare Nafion by impregnation with Pt electrodes. D was evaluated in two orthogonal directions: along one of the long dimensions of the sample (Dx) and through its thickness (Dz). D-maps of the IPMC element were obtained both in the absence of an applied potential and in situ during the application of a 3 V dc potential across the thickness of the sample. In the bare Nafion, D-maps showed uniform values of both Dx and Dz of about 6 x 10 (-10) m(2) s(-1). In the IPMC two effects were observed: (i) D at the electroded surfaces of the IPMC was higher than at the center of the sample; (ii) this difference was much greater in Dz than in Dx . Both effects were explained by the influence of the impregnated Pt electrodes on polymer structure. The D-maps in the electrochemical measurements showed high values of D (up to 8 x 10(-10) m(2) s(-1)) at the cathode and low values (from 1 x 10(-10) m(2) s(-1)) at the anode. This was explained in terms of the effect on the Nafion nanostructure of the forced electro-migration of Li(H2O)x(+) species toward the cathode. PMID:18630955
Zhao, Yi-lei; Guo, Qing-qu; Yang, Gen-ren; Wang, Qi-dong
2014-01-01
Objective: The relationship between apparent diffusion coefficient (ADC) and chemotherapy has been established. However, whether ADC could be considered as a measure for monitoring response to sorafenib in hepatocellular carcinoma (HCC) has not been demonstrated. This study was to investigate the ADC changes of advanced HCC under sorafenib treatment. Methods: Athymic mice with HepG2 xenografts were allocated to two groups: control and sorafenib (40 mg/kg, bid). T2 and diffusion images were acquired at each time point (0, 10, 14, and 18 d post-therapy). Tumor volume and changes in ADC were calculated. Results: Tumor volumes on Days 10, 14, and 18 after treatment showed significant decreases in the sorafenib-treated group compared with the control. Pretreatment ADC values were not significantly different between the control and treated groups. A slow increase in ADC in the peripheral zone of tumors appeared in the treated group, which was significantly higher compared with the control group on Days 10, 14, and 18. In the central part of tumors on Day 10 after treatment, an increase in ADC appeared in the treated and control groups, the ADC of the control group being significantly lower compared with the treated tumors. From Day 10 to Day 14, the ADC map showed a progressive decrease in the central region of tumors in the treated and control groups. However, this change is more significant in the treated groups. Conclusions: Early changes in mean ADC correlated with sorafenib treatment in HCC, which are promising indicators for predicting sorafenib response in this carcinoma. PMID:25091989
Diffusion length damage coefficient and annealing studies in proton-irradiated InP
NASA Technical Reports Server (NTRS)
Hakimzadeh, Roshanak; Vargas-Aburto, Carlos; Bailey, Sheila G.; Williams, Wendell
1993-01-01
We report on the measurement of the diffusion length damage coefficient (K(sub L)) and the annealing characteristics of the minority carrier diffusion length (L(sub n)) in Czochralski-grown zinc-doped indium phosphide (InP), with a carrier concentration of 1 x 10(exp l8) cm(exp -3). In measuring K(sub L) irradiations were made with 0.5 MeV protons with fluences ranging from 1 x 10(exp 11) to 3 x 10(exp 13) cm(exp -2). Pre- and post-irradiation electron-beam induced current (EBIC) measurements allowed for the extraction of L(sub n) from which K(sub L) was determined. In studying the annealing characteristics of L(sub n) irradiations were made with 2 MeV protons with fluence of 5 x 10(exp 13) cm(exp -2). Post-irradiation studies of L(sub n) with time at room temperature, and with minority carrier photoinjection and forward-bias injection were carried out. The results showed that recovery under Air Mass Zero (AMO) photoinjection was complete. L(sub n) was also found to recover under forward-bias injection, where recovery was found to depend on the value of the injection current. However, no recovery of L(sub n) after proton irradiation was observed with time at room temperature, in contrast to the behavior of 1 MeV electron-irradiated InP solar cells reported previously.
M. G. da Silva; M. S. Sthel; D. U. Schramm; R. R. Sanchez; J. B. Rieumont; H. Vargas
2003-01-01
The constant use of norecyclable material throughout the last century has become a huge pollution problem. Consequently, the development of biocompatible and biodegradable material plays an important role nowadays in this context. In order to contribute to this aim, this article is concerned with the use of photoacoustic methodologies to investigate the diffusion coefficient of CO2 and water vapors for
M. G. da Silva; S. S. Gonçalves; M. S. Sthel; D. U. Schramm; R. R. Sanchez; J. B. Rieumont; H. Vargas
2003-01-01
The constant use of norecyclable material throughout the last century has become a huge pollution problem. Consequently, the development of biocompatible and biodegradable material plays an important role nowadays in this context. In order to contribute to this aim, this article is concerned with the use of photoacoustic methodologies to investigate the diffusion coefficient of CO2 and water vapors for
Jing Xu; Jianshun S. Zhang; Xiaoyu Liu; Zhi Gao
2012-01-01
The partition and effective diffusion coefficients of formaldehyde were measured for three materials (conventional gypsum wallboard, “green” gypsum wallboard, and “green” carpet) under three relative humidity (RH) conditions (20%, 50%, and 70% RH). The “green” materials contained recycled materials and were friendly to environment. A dynamic dual-chamber test method was used. Results showed that a higher relative humidity led to
Saeid Taheri; Eduardo Candelario-Jalil; Eduardo Y. Estrada; Gary A. Rosenberg; Christoph Kleinschnitz
2009-01-01
Variations in apparent diffusion coefficient of water (ADC) and blood-brain barrier (BBB) permeability after ischemia have been suggested, though the correlation between ADC alterations and BBB opening remains to be studied. We hypothesized that there are correlations between the alteration of ADC and BBB permeability. Rats were subjected to 2 h of transient middle cerebral artery occlusion and studied at
Estimation of CO2 diffusion coefficient at 0-10 cm depth in undisturbed and tilled soils
Technology Transfer Automated Retrieval System (TEKTRAN)
Diffusion coefficients (D) of CO2 at 0 – 10 cm layers in undisturbed and tilled soil conditions were estimated using Penman, Millington-Quirk, Ridgwell et al. (1999), Troeh et al., and Moldrup et al. models. Soil bulk density and volumetric soil water content ('v) at 0 – 10 cm were measured on April...
Goossens, Karel; Prior, Mira; Pacheco, Victor; Willbold, Dieter; Müllen, Klaus; Enderlein, Jörg; Hofkens, Johan; Gregor, Ingo
2015-07-28
Dual-focus fluorescence correlation spectroscopy (2fFCS) is a versatile method to determine accurate diffusion coefficients of fluorescent species in an absolute, reference-free manner. Whereas (either classical or dual-focus) FCS has been employed primarily in the life sciences and thus in aqueous environments, it is increasingly being used in materials chemistry, as well. These measurements are often performed in nonaqueous media such as organic solvents. However, the diffusion coefficients of reference dyes in organic solvents are not readily available. For this reason we determined the translational diffusion coefficients of several commercially available organosoluble fluorescent dyes by means of 2fFCS. The selected dyes and organic solvents span the visible spectrum and a broad range of refractive indices, respectively. The diffusion coefficients can be used as absolute reference values for the calibration of experimental FCS setups, allowing quantitative measurements to be performed. We show that reliable information about the hydrodynamic dimensions of the fluorescent species (including noncommercial compounds) within organic media can be extracted from the 2fFCS data. PMID:26144863
Dissociative recombination of the methane family ions: rate coefficients and implications
NASA Astrophysics Data System (ADS)
Sheehan, C.; St-Maurice, J.
The dissociative recombination of molecular ions with electrons is the primary electron loss mechanism in planetary ionospheres. This process also plays a significant role in determining the populations of various molecular and atomic species within an ionosphere. It follows, therefore, that successful compositional studies of planetary ionospheres require a reliable knowledge of the dissociative recombination of the relevant species of molecular ions. Molecular physicists have made considerable progress in recent years, both experimentally and theoretically, in our understanding of dissociative recombination. We will present a brief review of these advances. Rate coefficients for the dissociative recombination of the methane family ions (CH+ ... CH5 +) recently obtained in the MEIBE lab at the University of Western Ontario will be presented. These will be discussed in conjunction with prior results from other experimental groups, and in light of recent advances in the field. Implications for the compositional study of the ionospheres of the Jovian planets will be discussed.
Solvent Diffusion Model for Aging of Lithium-Ion Battery Cells Harry J. Ploehn,z
Solvent Diffusion Model for Aging of Lithium-Ion Battery Cells Harry J. Ploehn,z Premanand Ramadass an Arrhenius temperature dependence consistent with solvent diffusion through a solid SEI. The magnitudes
Moore, Charles J. (Charles Jacob)
2012-01-01
A screening metric for diffusion limitations in lithium ion battery cathodes is derived using transition state theory and common materials properties. The metric relies on net activation barrier for lithium diffusion. ...
Gebrekristos, R.A.; Shapiro, A.M.; Usher, B.H.
2008-01-01
An in situ method of estimating the effective diffusion coefficient for a chemical constituent that diffuses into the primary porosity of a rock is developed by abruptly changing the concentration of the dissolved constituent in a borehole in contact with the rock matrix and monitoring the time-varying concentration. The experiment was conducted in a borehole completed in mudstone on the campus of the University of the Free State in Bloemfontein, South Africa. Numerous tracer tests were conducted at this site, which left a residual concentration of sodium chloride in boreholes that diffused into the rock matrix over a period of years. Fresh water was introduced into a borehole in contact with the mudstone, and the time-varying increase of chloride was observed by monitoring the electrical conductivity (EC) at various depths in the borehole. Estimates of the effective diffusion coefficient were obtained by interpreting measurements of EC over 34 d. The effective diffusion coefficient at a depth of 36 m was approximately 7.8??10-6 m2/d, but was sensitive to the assumed matrix porosity. The formation factor and mass flux for the mudstone were also estimated from the experiment. ?? Springer-Verlag 2007.
Majer, G., E-mail: majer@is.mpg.de [Max Planck Institute for Intelligent Systems, Heisenbergstr. 3, 70569 Stuttgart (Germany); Melchior, J. P. [Max Planck Institute for Solid State Research, Heisenbergstr. 1, 70569 Stuttgart (Germany)] [Max Planck Institute for Solid State Research, Heisenbergstr. 1, 70569 Stuttgart (Germany)
2014-03-07
Precise diffusion measurements of rhodamine 6G (Rh6G) dissolved in D{sub 2}O at concentrations between 50 and 200 ?M were carried out in the temperature range from 280 to 320 K using pulsed field gradient nuclear magnetic resonance (PFG-NMR). The obtained diffusion coefficients can be used as a calibration reference in fluorescence correlation spectroscopy (FCS). Besides measuring the diffusivity of Rh6G, the diffusion coefficient of the solvent in the same system could be determined in parallel by PFG-NMR as the resonances of water and Rh6G are well separated in the {sup 1}H NMR spectrum. To analyze the differences due to the isotope effect of the solvent (D{sub 2}O vs. H{sub 2}O), the correlation time ?{sub D} of Rh6G was measured by FCS in both D{sub 2}O and H{sub 2}O. The obtained isotopic correction factor, ?{sub D}(D{sub 2}O)/?{sub D}(H{sub 2}O) = 1.24, reflects the isotope effect of the solvent´s self-diffusion coefficients as determined previously by PFG-NMR.
NASA Astrophysics Data System (ADS)
Bobrov, A. A.; Bronin, S. Ya.; Zelener, B. B.; Zelener, B. V.; Manykin, E. A.
2008-07-01
We suggest a model for a hydrogenic low-temperature nonequilibrium nonideal plasma that allows the kinetic parameters of the plasma to be calculated by the method of molecular dynamics by taking into account the interparticle interaction. The charges interact according to Coulomb’s law; for unlike charges, the interaction is assumed to be equal to a constant at a distance smaller than several Bohr radii. For a system of particles, we solve the classical equations of motion under periodic boundary conditions. The initial conditions are specified in such a way that the electrons have a positive total energy. We consider the temperatures 1-50 K and densities n = 109-1010 cm-3 produced in an experiment through laser cooling and resonant excitation. We calculate the electron state density as a function of the plasma coupling parameter and the electron diffusion coefficient in energy space for highly excited (Rydberg) electron states close to the boundary of the discrete and continuum spectra.
Le, Cheng-Feng; Li, Yun-Mei; Zha, Yong; Sun, De-Yong; Wang, Li-Zhen
2009-02-01
The spectral and chemical analytical data of Taihu Lake water quality in Nov. 8-22, 2007 were used to analyze the spectral characteristics of diffuse attenuation coefficient (Kd) of the water body in autumn and related affecting factors. On the basis of this analysis, the Kd at band 490 nm, Kd (490), was used as a variable to build the relationship between Kd and remote sensing reflectance. The results indicated that within the scope of visible band, the Kd of the water body at most locations of Taihu Lake presented an exponent decreasing trend with the increase of wave length. Due to the higher concentration of phytoplankton in some locations, a peak value of Kd was presented at band 675 nm. Non-organic suspended particles, because of their higher content in suspended sediment, had larger effects on Kd than organic suspended ones. There was a good correlation between Kd and remote sensing reflectance. Taking Rrs (550), Rrs (675) and Rrs (731) as independent variables and doing regression analysis with Kd (490), a good linear relationship was found between Kd (490) and Rrs (731), and multi-variate linear regression analysis using variables Rrs (550), Rrs (675) and Rrs (731) could get better effect (R2 > 0.96) than the regression analysis using variable Rrs (731). PMID:19459373
Isotopic mass-dependence of metal cation diffusion coefficients in liquid water
Bourg, I.C.; Richter, F.M.; Christensen, J.N.; Sposito, G.
2009-01-11
Isotope distributions in natural systems can be highly sensitive to the mass (m) dependence of solute diffusion coefficients (D) in liquid water. Isotope geochemistry studies routinely have assumed that this mass dependence either is negligible (as predicted by hydrodynamic theories) or follows a kinetic-theory-like inverse square root relationship (D {proportional_to} m{sup -0.5}). However, our recent experimental results and molecular dynamics (MD) simulations showed that the mass dependence of D is intermediate between hydrodynamic and kinetic theory predictions (D {proportional_to} m{sup -{beta}} with 0 {<=} {beta} < 0.2 for Li{sup +}, Cl{sup -}, Mg{sup 2+}, and the noble gases). In this paper, we present new MD simulations and experimental results for Na{sup +}, K{sup +}, Cs{sup +}, and Ca{sup 2+} that confirm the generality of the inverse power-law relation D {proportional_to} m{sup -{beta}}. Our new findings allow us to develop a general description of the influence of solute valence and radius on the mass dependence of D for monatomic solutes in liquid water. This mass dependence decreases with solute radius and with the magnitude of solute valence. Molecular-scale analysis of our MD simulation results reveals that these trends derive from the exponent {beta} being smallest for those solutes whose motions are most strongly coupled to solvent hydrodynamic modes.
NASA Technical Reports Server (NTRS)
Paillat, O.; Wasserburg, G. J.
1993-01-01
Experimental studies of self-diffusion isotopes in silicate melts often have quite large uncertainties when comparing one study to another. We designed an experiment in order to improve the precision of the results by simultaneously studying several elements (Mg, Ca, Sr, Ba) during the same experiment thereby greatly reducing the relative experimental uncertainties. Results show that the uncertainties on the diffusion coefficients can be reduced to 10 percent, allowing a more reliable comparison of differences of self-diffusion coefficients of the elements. This type of experiment permits us to study precisely and simultaneously several elements with no restriction on any element. We also designed an experiment to investigate the possible effects of multicomponent diffusion during Mg self-diffusion experiments by comparing cases where the concentrations of the elements and the isotopic compositions are different. The results suggest that there are differences between the effective means of transport. This approach should allow us to investigate the importance of multicomponent diffusion in silicate melts.
Analysis of monopolar ionized field as influenced by ion diffusion
Abdel-Salam, M.; Al-Hamouz, Z.
1995-05-01
High voltage dc has many advantages over conventional ac liens for long distance power transmission. Recently, the economic feasibility of dc transmission has increased with the development of the hv terminal equipment. One of the problems associated with the HVDC transmission is the corona occurring on the transmission lines and the power loss, audible noise, radio interference, and television interference. Many attempts were made to solve the ionized field problem using the finite-element technique (FET). None of them included the ion diffusion in the solution of the describing equations. A few attempts included ion diffusion but using other numerical techniques. Ghione and Graglia adopted the finite-boxes technique for the solution of ionized field in conductor-to-plane configurations and wire-duct precipitators. Levin and Hoburg used the donor cell-finite element technique for the solution of the ionized field in wire-duct precipitators. In the present paper, a new iterative FET is proposed as a numerical tool to solve Poisson`s equation while the current continuity condition is satisfied by applying Kirchoff`s current balance-law at each node of the FE grid. In addition, the constancy of the conductor surface field at the corona onset value is implemented directly into the proposed FE formulation.
Analysis of ligand-protein exchange by Clustering of Ligand Diffusion Coefficient Pairs (CoLD-CoP).
Snyder, David A; Chantova, Mihaela; Chaudhry, Saadia
2015-06-01
NMR spectroscopy is a powerful tool in describing protein structures and protein activity for pharmaceutical and biochemical development. This study describes a method to determine weak binding ligands in biological systems by using hierarchic diffusion coefficient clustering of multidimensional data obtained with a 400 MHz Bruker NMR. Comparison of DOSY spectrums of ligands of the chemical library in the presence and absence of target proteins show translational diffusion rates for small molecules upon interaction with macromolecules. For weak binders such as compounds found in fragment libraries, changes in diffusion rates upon macromolecular binding are on the order of the precision of DOSY diffusion measurements, and identifying such subtle shifts in diffusion requires careful statistical analysis. The "CoLD-CoP" (Clustering of Ligand Diffusion Coefficient Pairs) method presented here uses SAHN clustering to identify protein-binders in a chemical library or even a not fully characterized metabolite mixture. We will show how DOSY NMR and the "CoLD-CoP" method complement each other in identifying the most suitable candidates for lysozyme and wheat germ acid phosphatase. PMID:25909645
Price, Helen L; Teasdale, Peter R; Jolley, Dianne F
2013-11-25
This study investigated several knowledge gaps with respect to the diffusive gradients in thin films (DGT) technique for measurement of oxyanions (As(III), As(V), Se(IV), Se(VI), PO4(3-), and V(V)) using the ferrihydrite and Metsorb™ binding layers. Elution efficiencies for each binding layer were higher with 1:20 dilutions, as analytical interferences for ICP-MS were minimised. Diffusion coefficients measured by diffusion cell and by DGT time-series experiments were found to agree well and generally agreed with previously reported values, although a range of diffusion coefficients have been reported for inorganic As and Se species. The relative binding affinity for both ferrihydrite and Metsorb™ was PO4(3-) ? As(V)>V(V) ? As(III)>Se(IV) > Se(VI) and effective binding capacities were measured in single ion solutions, and spiked synthetic freshwater and seawater, advising practical decisions about DGT monitoring. Under the conditions tested the performance of both ferrihydrite and Metsorb™ binding layers was directly comparable for As(V), As(III) Se(IV), V(V) and PO4(3-) over a deployment spanning ? 2 days for both freshwater and seawater. In order to return quantitative data for several analytes we recommend that the DGT method using either ferrihydrite or Metsorb™ be deployed for a maximum of 2 days in marine waters likely to contain high levels of the most strongly adsorbing oxyanions contaminants. The high pH, the competitive ions present in seawater and the identity of co-adsorbing ions affect the capacity of each binding layer for the analytes of interest. In freshwaters, longer deployment times can be considered but the concentration and identity of co-adsorbing ions may impact on quantitative uptake of Se(IV). This study found ferrihydrite-DGT outperformed Metsorb-DGT while previous studies have found the opposite, with variation in binding materials masses used being a likely reason. Clearly, preparation of both binding layers should always be optimised to produce the highest capacity possible, especially for seawater deployments. PMID:24216197
Nd3+ ion diffusion during sintering of Nd:YAG transparent ceramics
Hollingsworth, J P; Kuntz, J D; Soules, T F
2008-10-24
Using an electron microprobe, we measured and characterized the Nd{sup 3+} ion diffusion across a boundary between Nd doped and undoped ceramic yttrium aluminum garnet (YAG) for different temperature ramps and hold times and temperatures. The results show significant Nd ion diffusion on the order of micrometers to tens of micrometers depending on the time and temperature of sintering. The data fit well a model including bulk diffusion, grain boundary diffusion and grain growth. Grain boundary diffusion dominates and grain growth limits grain boundary diffusion by reducing the total cross sectional area of grain boundaries.
Collective Diffusion Model for Ion Conduction through Microscopic Channels
Liu, Yingting; Zhu, Fangqiang
2013-01-01
Ion conduction through microscopic channels is of central importance in both biology and nanotechnology. To better understand the current-voltage (I-V) dependence of ion channels, here we describe and prove a collective diffusion model that quantitatively relates the spontaneous ion permeation at equilibrium to the stationary ionic fluxes driven by small voltages. The model makes it possible to determine the channel conductance in the linear I-V range from equilibrium simulations without the application of a voltage. To validate the theory, we perform molecular-dynamics simulations on two channels—a conical-shaped nanopore and the transmembrane pore of an ?-hemolysin—under both equilibrium and nonequilibrium conditions. The simulations reveal substantial couplings between the motions of cations and anions, which are effectively captured by the collective coordinate in the model. Although the two channels exhibit very different linear ranges in the I-V curves, in both cases the channel conductance at small voltages is in reasonable agreement with the prediction from the equilibrium simulation. The simulations also suggest that channel charges, rather than geometric asymmetry, play a more prominent role in current rectification. PMID:23442858
Behavior of rate coefficients for ion-ion mutual neutralization, 300-550 K
Miller, Thomas M.; Shuman, Nicholas S.; Viggiano, A. A. [Air Force Research Laboratory, Space Vehicles Directorate, Kirtland Air Force Base, New Mexico 87117-5776 (United States)
2012-05-28
Rate coefficients k{sub MN} have been measured for a number of anion neutralization reactions with Ar{sup +} and Kr{sup +} over the temperature range 300-550 K. For the first time, the data set includes anions of radicals and other short-lived species. In the present paper, we review these results and make note of correlations with reduced mass, electron binding energy of the anion (equivalent to the electron affinity of the corresponding neutral), and temperature, and compare with expectations from absorbing sphere models. An intriguing result is that the data for diatomic anions neutralized by Ar{sup +} and Kr{sup +} have k{sub MN} values close to 3 x 10{sup -8} cm{sup 3} s{sup -1} at 300 K, a figure which is lower than those for all of the polyatomic anions at 300 K except for SF{sub 5}{sup -}+ Kr{sup +}. For the polyatomic anions studied here, neutralized by Ar{sup +} and Kr{sup +}, the reduced mass dependence agrees with theory, on average, but we find a stronger temperature dependence of T{sup -0.9} than expected from the theoretical E{sup -0.5} energy dependence of the rate coefficient at thermal energies. The k{sub MN} show a weak dependence on the electron binding energy of the anion for the polyatomic species studied.
Felmy, A.R.; Weare, J.H. (Univ. of California, San Diego, La Jolla (USA))
1991-01-01
This paper presents a theoretical model of multicomponent ionic diffusion which is valid to high concentration for systems which show ion association. The results of the authors' formulations are contrasted with those of more simplified models for systems containing Na{sub 2}SO{sub 4} and MgSO{sub 4}, as well as for multicomponent natural seawater. The differences between their model and simplified models are significant, especially at high concentration. Inconsistencies which may develop with the use of the simplified approaches are demonstrated. The authors' approach requires considerable data which are not available at temperatures other than 25{degree}C. Therefore, other approaches which are based only on data at infinite dilution are of great interest. They show here that, if chemical potential derivatives are included in the infinite dilution model of Nernst and Hartley which uses only infinite dilution mobilities, the model can be extended to slightly concentrated solutions. This extended Nernst-Hartley model gives good agreement with all of the existing experimental mutual diffusion coefficient data at concentrations below about 0.2 M in the six component system Na-K-Ca-Mg-Cl-SO{sub 4}-H{sub 2}O. This may be the most reliable way to extend infinite dilution data into more concentrated regions. In the systems they have studied, the inclusion of ion-association species for weakly interacting species does not appear to provide significant improvement over the generalized Nernst-Hartley model.
Plasma rate coefficients for electron-impact ionization of Xeq+ ions (q = 8, …, 17)
NASA Astrophysics Data System (ADS)
Borovik, A., Jr.; Gharaibeh, M. F.; Schippers, S.; Müller, A.
2015-02-01
Plasma rate coefficients (PRCs) for electron-impact single ionization of ground-state Xeq+ ions (q=8,\\ldots ,17) in the temperature range 2 × 105 ? 2 × 107 K have been derived from a combination of experimental cross-section data and results of distorted-wave calculations. For Xe8+ and Xe9+ new measurements were performed and thoroughly analyzed with respect to the contributions from different ionization mechanisms and the effects of long-lived excited states in the parent ion beams that had been employed in the experiments. In the same manner, previously published experimental data for the higher charge states were analyzed to extract the ground-configuration ionization cross sections and to derive the associated PRCs. The resulting temperature-dependent PRC functions were parameterized and the associated parameters are provided in tabular form. With the exception of Xe8+ the absolute uncertainties of the inferred rate coefficients are estimated to be +/- 10%. For Xe8+ the uncertainties are +/- 25% due to the necessary correction for strong metastable-ion contributions to the measured cross sections.
Bayesian estimation of export coefficients from diffuse and point sources in Swiss watersheds
NASA Astrophysics Data System (ADS)
Zobrist, Jürg; Reichert, Peter
2006-09-01
SummaryBy combining prior knowledge with data from 11 watershed outlets in Switzerland we estimated export coefficients for soluble reactive phosphorus (SRP), nitrate, total nitrogen, chloride, potassium and alkalinity from different land use categories over a 24 year investigation period. The analysis clearly attributes the observed reduction of SRP loads in the rivers to a decrease in contributions from urban areas from about 0.5 to about 0.04 kg P inhab -1 a -1 between 1980 and 1990. This reflects measures taken to reduce phosphate discharge from urban areas into receiving water bodies and it significantly increases the relative contribution from intensively used agricultural land (about 0.03 g P m -2 a -1) to total SRP load. At the relatively coarse resolution level of this study, there was no significant trend in any of the other export coefficients. Dominant sources of nitrate, chloride and potassium are intensive agriculture with contributions of about 2.9 g N m -2 a -1, 8.7 g Cl m -2 a -1, and 1.9 g K m -2 a -1, and urban diffuse and point sources with contributions of about 2.1 kg N inhab -1 a -1, 20 kg Cl inhab -1 a -1, and 2.5 kg K inhab -1 a -1. Contributions from intensively used agricultural land are significantly higher than the background exports from extensively used land, forests and barren land which are in the order of 0.5 g N m -2 a -1, 1.1 g Cl m -2 a -1 and 0.6 g K m -2 a -1 (2.2 for barren land). Dependence of alkalinity exports on land use was much smaller with contributions between 1.6 and 3.8 mol m -2 a -1. From a methodological point of view, our results reveal that Bayesian inference is an excellent mathematical framework to overcome the identification problems resulting from a partially ill-defined regression problem if prior knowledge is available.
Lee, Cheng-Kuang; Tsai, Meng-Tsan; Chang, Feng-Yu; Yang, Chih-Hsun; Shen, Su-Chin; Yuan, Ouyang; Yang, Chih-He
2013-01-01
In this study, time-resolved optical coherence tomography (OCT) scanning images of the process of water diffusion in the skin that illustrate the enhancement in the backscattered intensities due to the increased water concentration are presented. In our experiments, the water concentration in the skin was increased by soaking the hand in water, and the same region of the skin was scanned and measured with the OCT system and a commercial moisture monitor every three minutes. To quantitatively analyze the moisture-related optical properties and the velocity of water diffusion in human skin, the attenuation coefficients of the skin, including the epidermis and dermis layers, were evaluated. Furthermore, the evaluated attenuation coefficients were compared with the measurements made using the commercial moisture monitor. The results demonstrate that the attenuation coefficient increases as the water concentration increases. Furthermore, by evaluating the positions of center-of mass of the backscattered intensities from OCT images, the diffusion velocity can be estimated. In contrast to the commercial moisture monitor, OCT can provide three-dimensional structural images of the skin and characterize its optical property, which together can be used to observe morphological changes and quantitatively evaluate the moisture-related attenuation coefficients in different skin layers. PMID:23529149
Haas, O.; Velazquez, C.S.; Porat, Z.; Murray, R.W. [Univ. of North Carolina, Chapel Hill, NC (United States)
1995-10-12
Ferrocene labeled monomethoxy-poly(ethylene glycol)s (MPEG) with molecular weights of 1900 and 750 were used as redox probe solutes in poly(ethylene glycol) melt solvents of molecular weight 750, 2000, and 20000. Cyclic voltammetry and chronoamperometry at microdisk electrodes were employed to measure the diffusion coefficients of the redox probes, which were independent of the probe concentration and varied between 10{sup -7} and 10{sup -10} cm{sup 2}/s. Diffusional activation barrier results also suggest that the ferrocene label does not significantly influence the diffusivity of the probe molecule in the host solvent. Activation barrier, viscosity, and ionic conductivity results show that the LiClO{sub 4} electrolyte does not influence the diffusion barrier or viscosity as long as the ether O/Li{sup +} ratio is >=250 (ca. 0.1 M) which is still a sufficient electrolyte concentration to allow quantitative electrochemical diffusion measurements. 21 refs., 7 figs., 2 tabs.
Garnet/high-silica rhyolite trace element partition coefficients measured by ion microprobe
Sisson, T.W.; Bacon, C.R.
1992-01-01
Garnet/liquid trace element partition coefficients have been measured in situ by ion microprobe in a rhyolite from Monache Mountain, California. Partition coefficients are reported for La, Ce, Nd, Sm, Dy, Er, Yb, Sc, Ti, V, Cr, Sr, Y, and Zr. The in situ analyses avoid the problem of contamination of the garnet phase by trace element-rich accessory minerals encountered in traditional bulk phenocryst/matrix partitioning studies. The partitioning pattern for the rare earth elements (REEs, excluding Eu) is smooth and rises steeply from the light to the heavy REEs with no sharp kinks or changes in slope, unlike patterns for garnet /silicic liquid REE partitioning determined by bulk methods. This difference suggests that the previous determinations by bulk methods are in error, having suffered from contamination of the phenocryst separates. ?? 1992.
Kung-Chu Ho; Gigin Lin; Jiun-Jie Wang; Chyong-Huey Lai; Chee-Jen Chang; Tzu-Chen Yen
2009-01-01
Purpose Diffusion-weighted magnetic resonance imaging (DWI) and fluorodeoxyglucose positron emission tomography\\/computed tomography\\u000a (FDG PET\\/CT) are oncological feasible techniques. Currently, apparent diffusion coefficient (ADC) measured by DWI and standard\\u000a uptake value (SUV) from FDG PET\\/CT have similar applications in clinical oncology. The aim of this study was to assess the\\u000a correlation between ADC and SUV in primary cervical cancer.\\u000a \\u000a \\u000a \\u000a Materials and methods Patients
Oelkers, E.H.; Helgeson, H.C. (Univ. of California, Berkeley (United States))
1991-05-01
Although hydrothermal solutions at high temperatures and low pressures where the solution density is low are widely regarded as highly associated alkali chloride solutions in which neutral ion paris are the predominant solute species, reconsideration in the present study of experimental conductance data reported by Quist and Marshall, Dunn and Marshall and Frantz and Marshall for 1:1 electrolytes suggests that this may not be the case. Quist, Marshall, and their coworkers interpreted their high temperature/pressure conductance data in part by considering the activity coefficients of the neutral species to be negligibly different from unity in dilute solutions. However, these data can also be interpreted by regarding the logarithm of the activity coefficients of neutral complexes ({bar {gamma}}{sub n}) to be a linear function of the effective ionic strength ({bar I}). Accordingly, supercritical conductance data for five electrolytes were regressed in the present study using the Hueckel (1925), Setchenow (1892), and Shedlovsky (1938) equations, together with the law of mass action and values of the limiting equivalent conductances of the electrolytes taken from Oelkers and Helgeson (1989) for the temperatures and pressures of the experiments to generate simultaneously the logarithms of dissociation constants (log K{sub 1}) and Setchenow coefficients (b{sub {gamma},n}) for neutral 1:1 complexes. The resulting values of log K{sub 1} are in close agreement with corresponding values originally reported by Marshall and coworkers. However, the regression calculation indicate that b{sub {gamma},n} and thus the activity coefficients of neutral species in concentrated electrolyte solutions increase dramatically with increasing temperature and decreasing pressure, which opposes the effect on ion pair formation of the accompanying decrease in log K{sub 1}.
Rocco, Mattia; Byron, Olwyn
2015-09-01
Hydrodynamic characterisation of (bio)macromolecules is a well-established field. Observables linked to translational friction, such as the translational diffusion (D t (0) (20,w)) and sedimentation ([Formula: see text]) coefficients, are the most commonly used parameters. Both can be computed starting from high-resolution structures, with several methods available. We present here a comprehensive study of the performance of public-domain software, comparing the calculated D t (0) (20,w) and [Formula: see text] for a set of high-resolution structures (ranging in mass from 12,358 to 465,557 Da) with their critically appraised literature experimental counterparts. The methods/programs examined are AtoB, SoMo, BEST, Zeno (all implemented within the US-SOMO software suite) and HYDROPRO. Clear trends emerge: while all programs can reproduce D t (0) (20,w) on average to within ±5 % (range -8 to +7 %), SoMo and AtoB slightly overestimate it (average +2 and +1 %, range -2 to +7 and -4 to +5 %, respectively), and BEST and HYDROPRO underestimate it slightly more (average -3 and -4 %, range -7 to +2 and -8 to +2 %, respectively). Similar trends are observed with [Formula: see text], but the comparison is likely affected by the necessary inclusion of the partial specific volume in the computations. The somewhat less than ideal performances could result from the hydration treatment in BEST and HYDROPRO, and the bead overlap removal in SoMo and AtoB. Interestingly, a combination of SoMo overlapping bead models followed by Zeno computation produced better results, with a 0 % average error (range -4 to +4 %). Indeed, this might become the method of choice, once computational speed considerations now favouring the 5 Å-grid US-SOMO AtoB approach are overcome. PMID:26066679
Ha, Yeonjeong; Kwon, Jung-Hwan
2010-04-15
Exact determination of the partition coefficient between 1-octanol and air (K(OA)) is very important because it is a key descriptor for describing the thermodynamic partitioning between the air and organic phases. In spite of its importance, the number and quality of experimental K(OA) values for hydrophobic organic chemicals are limited because of experimental difficulties. Thus, to measure K(OA) values, a high-throughput method was developed that used liquid-phase extraction with 1-octanol drop at the tip of a microsyringe needle. The concentration in the headspace surrounding the 1 muL octanol drop was equilibrated with liquid octanol containing polycyclic aromatic hydrocarbons (PAHs). The change in concentrations of PAHs in the octanol drop was measured to obtain mass transfer rate constants, and these rate constants were then converted into K(OA) values using a film diffusion model. Thirteen polycyclic aromatic hydrocarbons with log K(OA) between 5 and 12 were chosen for the proof of the principle. Experimental determination of log K(OA) was accomplished in 30 h for PAHs with their log K(OA) less than 11. The measured log K(OA) values were very close to those obtained by various experimental and estimation methods in the literature, suggesting that this new method can provide a fast and easy determination of log K(OA) values for many chemicals of environmental interests. In addition, the applicability of the method can be extended to determine Henry's law constant for compounds with low vapor pressure and to estimate gaseous transfer rate of semivolatile compounds for environmental fate modeling. PMID:20222654
Diffuse Attenuation Coefficient of Downwelling Irradiance: An Evaluation of Remote Sensing Methods
NASA Technical Reports Server (NTRS)
Lee, Zhong-Ping; Darecki, Miroslaw; Carder, Kendall L.; Davis, Curtiss O.; Stramski, Dariusz; Rhea, W. Joseph
2005-01-01
The propagation of downwelling irradiance at wavelength lambda from surface to a depth (z) in the ocean is governed by the diffuse attenuation coefficient, K(sup -)(sub d)(lambda). There are two standard methods for the derivation of K(sup -)(sub d)(lambda) in remote sensing, which both are based on empirical relationships involving the blue-to-green ratio of ocean color. Recently, a semianalytical method to derive K(sup -)(sub d)(lambda) from reflectance has also been developed. In this study, using K(sup -)(sub d)(490) and K(sup -)(sub d)(443) as examples, we compare the K(sup -)(sub d)(lambda) values derived from the three methods using data collected in three different regions that cover oceanic and coastal waters, with K(sup -)(sub d)(490) ranging from approximately 0.04 to 4.0 per meter. The derived values are compared with the data calculated from in situ measurements of the vertical profiles of downwelling irradiance. The comparisons show that the two standard methods produced satisfactory estimates of K(sup -)(sub d)(lambda) in oceanic waters where attenuation is relatively low but resulted in significant errors in coastal waters. The newly developed semianalytical method appears to have no such limitation as it performed well for both oceanic and coastal waters. For all data in this study the average of absolute percentage difference between the in situ measured and the semianalytically derived K(sup -)(sub d) is approximately 14% for lambda = 490 nm and approximately 11% for lambda = 443 nm.
Kosztin, Ioan; Barz, Bogdan; Janosi, Lorant
2006-02-14
In general, the direct application of the Jarzynski equality (JE) to reconstruct potentials of mean force (PMFs) from a small number of nonequilibrium unidirectional steered molecular-dynamics (SMD) paths is hindered by the lack of sampling of extremely rare paths with negative dissipative work. Such trajectories that transiently violate the second law of thermodynamics are crucial for the validity of JE. As a solution to this daunting problem, we propose a simple and efficient method, referred to as the FR method, for calculating simultaneously both the PMF U(z) and the corresponding diffusion coefficient D(z) along a reaction coordinate z for a classical many-particle system by employing a small number of fast SMD pullings in both forward (F) and time reverse (R) directions, without invoking JE. By employing Crooks [Phys. Rev. E 61, 2361 (2000)] transient fluctuation theorem (that is more general than JE) and the stiff-spring approximation, we show that (i) the mean dissipative work W(d) in the F and R pullings is the same, (ii) both U(z) and W(d) can be expressed in terms of the easily calculable mean work of the F and R processes, and (iii) D(z) can be expressed in terms of the slope of W(d). To test its viability, the FR method is applied to determine U(z) and D(z) of single-file water molecules in single-walled carbon nanotubes (SWNTs). The obtained U(z) is found to be in very good agreement with the results from other PMF calculation methods, e.g., umbrella sampling. Finally, U(z) and D(z) are used as input in a stochastic model, based on the Fokker-Planck equation, for describing water transport through SWNTs on a mesoscopic time scale that in general is inaccessible to MD simulations. PMID:16483195
The heavy ion diffusion region in magnetic reconnection in the Earth's magnetotail
NASA Astrophysics Data System (ADS)
Liu, Y. H.; Mouikis, C. G.; Kistler, L. M.; Wang, S.; Roytershteyn, V.; Karimabadi, H.
2015-05-01
While the plasma in the Earth's magnetotail predominantly consists of protons and electrons, there are times when a significant amount of oxygen is present. When magnetic reconnection occurs, the behavior of these heavy ions can be significantly different from that of the protons, due to their larger gyroradius. In this study, we investigate the heavy ion distribution functions in the reconnection ion diffusion region from a 2.5D three-species particle-in-cell numerical simulation and compare those with Cluster observations from the near-Earth magnetotail. From the simulation results, we find that the heavy ions are demagnetized and accelerated in a larger diffusion region, the heavy ion diffusion region. The ion velocity distribution functions show that, inside the heavy ion diffusion region, heavy ions appear as counterstreaming beams along z in the GSM x-z plane, while drifting in y, carrying cross-tail current. We compare this result with Cluster observations in the vicinity of reconnection regions in the near-Earth magnetotail and find that the simulation predictions are consistent with the observed ion distribution functions in the ion diffusion region, as well as the inflow, exhaust, and separatrix regions. Based on the simulation and observation results, the presence of a multiscale diffusion region model, for O+ abundant reconnection events in the Earth's magnetotail, is demonstrated. A test particle simulation shows that in the diffusion region, the H+ gains energy mainly through Ex, while the O+ energy gain comes equally from Ex and Ey.
1984-01-01
The diffusion coefficient of tubulin has been measured in the cytoplasm of eggs and embryos of the sea urchin Lytechinus variegatus. We have used brain tubulin, conjugated to dichlorotriazinyl-aminofluorescein, to inject eggs and embryos. The resulting distributions of fluorescence were perturbed by bleaching with a microbeam of light from the 488-nm line of an argon ion laser. Fluorescence redistribution after photobleaching was monitored with a sensitive video camera and photography of the television-generated image. With standard photometric methods, we have calibrated this recording system and measured the rates of fluorescence redistribution for tubulin, conjugated to dichlorotriazinyl-aminofluorescein, not incorporated into the mitotic spindle. The diffusion coefficient (D) was calculated from these data using Fick's second law of diffusion and a digital method for analysis of the photometric curves. We have tested our method by determining D for bovine serum albumin (BSA) under conditions where the value is already known and by measuring D for fluorescein-labeled BSA in sea urchin eggs with a standard apparatus for monitoring fluorescence redistribution after photobleaching. The values agree to within experimental error. Dcytoplasmtubulin = 5.9 +/- 2.2 X 10(-8) cm2/s; DcytoplasmBSA = 8.6 +/- 2.0 X 10(-8) cm2/s. Because DH2OBSA = 68 X 10(-8) cm2/s, these data suggest that the viscosity of sea urchin cytoplasm for protein is about eight times that of water and that most of the tubulin of the sea urchin cytoplasm exists as a dimer or small oligomer, which is unbound to structures that would impede its diffusion. Values and limitations of our method are discussed, and we draw attention to both the variations in D for single proteins in different cells and the importance of D for the upper limit to the rates of polymerization reactions. PMID:6501417
NASA Astrophysics Data System (ADS)
Oelkers, Eric H.; Helgeson, Harold C.
1991-05-01
Although hydrothermal solutions at high temperatures and low pressures where the solution density is low are widely regarded as highly associated alkali chloride solutions in which neutral ion pairs are the predominant solute species, reconsideration in the present study of experimental conductance data reported by QUIST and MARSHALL ( 1968a,b,c), DUNN and MARSHALL (1969) and FRANTZ and MARSHALL (1984) for 1:1 electrolytes suggests that this may not be the case. Quist, Marshall, and their coworkers interpreted their high temperature/pressure conductance data in part by considering the activity coefficients of the neutral species to be negligibly different from unity in dilute solutions. However, these data can also be interpreted by regarding the logarithm of the activity coefficients of neutral complexes ( ¯ggn ) to be a linear function of the effective ionic strength ( ?), which is consistent with both the SETCHÉNOW (1892) and HÜCKEL (1925) equations ( HELGESON et al., 1981). Accordingly, supercritical conductance data for five electrolytes were regressed in the present study using the HÜCKEL (1925), SETCHÉNOW (1892), and SHEDLOVSKY (1938) equations, together with the law of mass action and values of the limiting equivalent conductances of the electrolytes taken from OELKERS and HELGESON (1989) for the temperatures and pressures of the experiments to generate simultaneously the logarithms of dissociation constants ( log K 1) and Setchénow coefficients ( b ?,n) for neutral 1:1 complexes. The resulting values of log K 1 are in close agreement with corresponding values originally reported by Marshall and coworkers. However, the regression calculations indicate that b ?,n and thus the activity coefficients of neutral species in concentrated electrolyte solutions increase dramatically with increasing temperature and decreasing pressure, which opposes the effect on ion pair formation of the accompanying decrease in log K 1. Distribution of species calculations using these values of log K 1 and b ?,n with and without provision for the formation of triple ions ( OELKERS and HELGESON, 1990) indicate that the degrees of formation of neutral 1:1 ion pairs maximize at stoichiometric ionic strengths of 0.2 molal and become negligible at stoichiometric ionic strengths greater than 0.8 molal in the temperature range 400 to 800°C at pressures to 4 kb. Consequently, it appears that these neutral species may account for only a minor part of the solute in concentrated hydrothermal solutions at supercritical temperatures and pressures. This observation is supported also by electrostatic considerations, which indicate that higher order complexes may predominate in concentrated electrolyte solutions at supercritical temperatures and pressures ( PITZER and SCHREIBER, 1987; OELKERS and HELGESON, 1990).
On parameter estimation in a diffusion process with piecewise constant coefficients
volumes, attenuated total reflectance spectroscopy 1 Introduction Fig. 1 depicts a diffusion cell + L a ) Lm L a F x Fig 1.: Schematic representation of the diffusion cell A quantity w(t) proportional of the process and will depend on the two diffusion constants Dm and D a of membrane and acceptor
Scale Dependence of Effective Matrix Diffusion Coefficient Evidence and Preliminary Interpertation
H. H. Liu; Y. Zhang
2006-01-01
The exchange of solute mass (through molecular diffusion) between fluid in fractures and fluid in the rock matrix is called matrix diffusion. Owing to the orders-of-magnitude slower flow velocity in the matrix compared to fractures, matrix diffusion can significantly retard solute transport in fractured rock, and therefore is an important process for a variety of problems, including remediation of subsurface
A Simple Method of Determining Diffusion Coefficient by Digital Laser Speckle Correlation
Giuseppe Schirripa Spagnolo; Dario Ambrosini; Antonio Ponticiello; Domenica Paoletti
1996-01-01
A laser speckle technique is proposed for the study of diffusion in transparent liquid mixtures. The diffusion constants may be deduced by a simple manipulation of the speckle patterns recorded during the diffusion process. The proposed method, checked with the LiBr-water system, gives reasonable agreement with existing data.
Hui-Hai Liu; Yingqi Zhang; Fred J. Molz
2006-01-01
The exchange of solute mass (through molecular diffusion) between fluid in fractures and fluid in the rock matrix is called matrix diffusion. Owing to the orders-of-magnitude slower flow velocity in the matrix compared to fractures, matrix diffusion can significantly retard solute transport in fractured rock, and therefore is an important process for a variety of problems, including remediation of subsurface
Lilibeth dl C. Coo; Maruse Sadek; Robert T. C. Brownlee; Terence J. Cardwell; Robert W. Cattrall; Spas D. Kolev
1999-01-01
The values of the diffusion coefficient of PAN (1-(2?-pyridylazo)-2-naphthol) in various ethanol–water solutions at 298K were determined using both flow injection (FI) and nuclear magnetic resonance (NMR) techniques. The transient FI concentration curves monitored by the detector were described by the axially dispersed plug flow model with an axial dispersion coefficient obeying Taylor's theory. The diffusion coefficient of PAN determined
Radu, Aleksandar; Meir, Amnon J; Bakker, Eric
2004-11-01
A numerical solution for the prediction of the time-dependent potential response of a polymeric-based ion-selective electrode (ISE) is presented. The model addresses short- and middle-term potential drifts that are dependent on changes in concentration gradients in the aqueous sample and organic membrane phase. This work has important implications for the understanding of the real-time response behavior of potentiometric sensors with low detection limits and with nonclassical super-Nernstian response slopes. As a model system, the initial exposure of membranes containing the well-examined silver ionophore O,O' '-bis[2-(methylthio)ethyl]-tert-butylcalix[4]arene was monitored, and the large observed potential drifts were compared to theoretical predictions. The model is based on an approximate solution of the diffusion equation for both aqueous and organic diffusion layers using a numerical scheme (finite difference in time and finite elements in space). The model may be evaluated on the basis of experimentally available parameters and gives time-dependent information previously inaccessible with a simpler steady-state diffusion model. For the cases studied, the model gave a very good correlation with experimental data, albeit with lower than expected diffusion coefficients for the organic phase. This model may address numerous open questions regarding the response time and memory effects of low-detection-limit ion-selective electrodes and for other membrane electrodes where ion fluxes are relevant. PMID:15516134
Simulation of Electron and Ion Transport in Methane-Air Counterflow Diffusion Flames
Sangkyu Choi; Fabrizio Bisetti; Suk Ho Chung
2010-01-01
The spatial distribution of charged species in a methane-air counterflow diffusion flame is simulated with a detailed ion chemistry. The electric field induced by the distribution of charged species is calculated and compared to that obtained invoking the ambipolar diffusion assumption. The two calculations showed identical profiles for charged species and electric field. The profiles of ion mole fractions show
Okuda, H.; Cheng, C.Z.; Lee, W.W.
1980-11-01
One- and two-dimensional simulations have been carried out to study electrostatic ion cyclotron instabilities for a hydrogen plasma in a strong magnetic field. It is found that strong ion heating and anomalous cross-field diffusion comparable to Bohm diffusion take place associated with the instability. Implications of the instability to the recent observations in fusion devices and space plasmas are discussed.
Kramers' Diffusion Theory Applied to Gating Kinetics of Voltage-Dependent Ion Channels
Bezanilla, Francisco
Kramers' Diffusion Theory Applied to Gating Kinetics of Voltage-Dependent Ion Channels Daniel Sigg in the condensed phase is considered as an alternative to the traditional discrete-state Markov (DSM) model in describing ion channel gating current kinetics. Diffusion theory can be expected to be particularly relevant
J. Ahl; S. Liukkonen
1999-01-01
The tracer diffusion coefficients of sodium-22-chloride were determined as function of magnesium chloride concentrations in\\u000a aqueous solutions (10?4...1 mol dm?3) at 25°C. Closed capillary method was used in experiments. The most accurate method to calculate the tracer diffusion coefficient\\u000a from an infinite series solution was further developed. The Onsager limiting law was verified to the tracer diffusion of 22NaCl in
NASA Astrophysics Data System (ADS)
Jacobsen, M. K.; Liu, W.; Li, B.
2012-09-01
In this paper, a high pressure setup is presented for performing simultaneous measurements of Seebeck coefficient and thermal diffusivity in multianvil apparatus for the purpose of enhancing the study of transport phenomena. Procedures for the derivation of Seebeck coefficient and thermal diffusivity/conductivity, as well as their associated sources of errors, are presented in detail, using results obtained on the filled skutterudite, Ce0.8Fe3CoSb12, up to 12 GPa at ambient temperature. Together with recent resistivity and sound velocity measurements in the same apparatus, these developments not only provide the necessary data for a self-consistent and complete characterization of the figure of merit of thermoelectric materials under pressure, but also serve as an important tool for furthering our knowledge of the dynamics and interplay between these transport phenomena.
Jacobsen, M K; Liu, W; Li, B
2012-09-01
In this paper, a high pressure setup is presented for performing simultaneous measurements of Seebeck coefficient and thermal diffusivity in multianvil apparatus for the purpose of enhancing the study of transport phenomena. Procedures for the derivation of Seebeck coefficient and thermal diffusivity/conductivity, as well as their associated sources of errors, are presented in detail, using results obtained on the filled skutterudite, Ce(0.8)Fe(3)CoSb(12,) up to 12 GPa at ambient temperature. Together with recent resistivity and sound velocity measurements in the same apparatus, these developments not only provide the necessary data for a self-consistent and complete characterization of the figure of merit of thermoelectric materials under pressure, but also serve as an important tool for furthering our knowledge of the dynamics and interplay between these transport phenomena. PMID:23020390
Navrátilová Rovenská, Katerina
2014-07-01
Waterproofing, usually made of bitumen or polymers with various additives, is used to protect buildings mainly against dampness, but also against radon transported from the soil beneath the building. The radon diffusion coefficient is a material property which is considered to be strongly influenced by the inner structure (chemical composition, crystallinity) of a measured sample. We have used this parameter together with measurements of mechanical properties (hardness, tensile strength, elongation at break, etc.) and FTIR spectroscopy has been used in order to describe the changes in material properties induced by long-term degradation. This paper summarizes the results of radon diffusion coefficient measurements of waterproof materials exposed to radon, soil bacteria, high temperature and combinations of these factors. We have discovered changes as high as 83 % have been discovered compared to virgin samples. PMID:24748486
Polycyclic aromatic hydrocarbon ions and the diffuse interstellar bands
NASA Technical Reports Server (NTRS)
Salama, F.; Allamandola, L. J.
1995-01-01
Neutral naphthalene (C10H8), phenanthrene (C14H10), and pyrene (C16H10) absorb strongly in the ultraviolet and may contribute to the extinction curve. High abundances are required to produce detectable structures. The cations of these Polycyclic Aromatic Hydrocarbons (PAHs) absorb in the visible. C10H8(+) has 12 discrete absorption bands which fall between 6800 and 5000 A. The strongest band at 6741 A falls close to the weak 6742 A diffuse interstellar band (DIB). Five other weaker bands also match DIBs. The possibility that C10H8(+) is responsible for some of the DIBs can be tested by searching for new DIBS at 6520, 6151, and 5965 A, other moderately strong naphthalene cation band positions. If C10H8(+) is indeed responsible for the 6742 A feature, it accounts for 0.3% of the cosmic carbon. The spectrum of C16H10(+) is dominated by a strong band at 4435 A in an Ar matrix and 4395 A in a Ne matrix, a position which falls very close to the strongest DIB, that at 4430 A. If C16H10(+), or a closely related pyrene-like ion is indeed responsible for the 4430 A feature, it accounts for 0.2% of the cosmic carbon. We also report an intense, very broad UV-to-visible continuum which is associated with both ions and could explain how PAHs convert interstellar UV and visible radiation into IR.
Dimitrios Gavril; Aristea Gabriel
2006-01-01
The interaction of vinyl chloride (VC) with water is used as the model system for the investigation of the determination of diffusion coefficients of gases into liquids from revered?flow gas chromatography (RF?GC). A thorough, full investigation of the initially suggested methodologies of RF?GC [Anal. Chem. 1989, 61, 2231–2237 and Adv. Chromatogr. 2000, 40, 231–273] is carried out. The appropriate experimental
Nonlinear Diffusions and Stable-Like Processes with Coefficients Depending on the Median or VaR
Kolokoltsov, Vassili N.
2013-08-01
The paper is devoted to the well-posedness for nonlinear McKean-Vlasov type diffusions with coefficients depending on the median or, more generally, on the {alpha}-quantile of the underlying distribution. The median is not a continuous function on the space of probability measures equipped with the weak convergence. This is one reason why well-posedness of the SDE considered in the paper does not follow by standard arguments.
NASA Technical Reports Server (NTRS)
Fang, Z.; Kwong, Victor H. S.
1997-01-01
The charge transfer rate coefficient for the reaction N(2+)(2p(sup 2)P(sup 0)) + He yields products is measured by recording the time dependence of the N(2+) ions stored in an ion trap. A cylindrical radio-frequency ion trap was used to store N(2+) ions produced by laser ablation of a solid titanium nitride target. The decay of the ion signals was analyzed by single exponential least-squares fits to the data. The measured rate coefficient is 8.67(0.76) x 10(exp -11)sq cm/s. The N(2+) ions were at a mean energy of 2.7 eV while He gas was at room temperature, corresponding to an equivalent temperature of 3.9 x 10(exp 3) K. The measured value is in good agreement with a recent calculation.
NASA Astrophysics Data System (ADS)
Montejo, Ludguier D.; Jia, Jingfei; Kim, Hyun K.; Hielscher, Andreas H.
2013-03-01
We apply the Fourier Transform to absorption and scattering coefficient images of proximal interphalangeal (PIP) joints and evaluate the performance of these coefficients as classifiers using receiver operator characteristic (ROC) curve analysis. We find 25 features that yield a Youden index over 0.7, 3 features that yield a Youden index over 0.8, and 1 feature that yields a Youden index over 0.9 (90.0% sensitivity and 100% specificity). In general, scattering coefficient images yield better one-dimensional classifiers compared to absorption coefficient images. Using features derived from scattering coefficient images we obtain an average Youden index of 0.58 +/- 0.16, and an average Youden index of 0.45 +/- 0.15 when using features from absorption coefficient images.
Kikugawa, Gota; Nakano, Takeo; Ohara, Taku
2015-07-14
In the present study, we use molecular dynamics (MD) simulations to provide an insight into the system size effect on the self-diffusion coefficient of liquids in the periodic rectangular parallelepiped system, from the hydrodynamic perspective. We have previously shown that in the rectangular box system, the diffusivity exhibits anomalous behaviors, i.e., the diffusion tensor appears to be anisotropic despite the bulk liquid simulation and the diffusion component in the direction along the short side of rectangular box with a high aspect ratio exceeding the diffusivity in the infinite system [Kikugawa et al., J.Chem. Phys. 142, 024503 (2015)]. So far, the size effect on the diffusivity has been intensively studied in the cubic system and has been interpreted quite well by the theoretical considerations employing the hydrodynamic interaction. Here, we have extended the hydrodynamic theory to be applied to periodic rectangular box systems and compared the theoretical predictions with MD simulation results. As a result, the diffusivity predicted by the hydrodynamic theory shows good agreement with the MD results. In addition, the system size effect was examined in a rod-shaped rectangular box in which the two shorter side lengths were equivalent and a film-type rectangular box in which the two longer side lengths were equivalent. It is of interest that we found that the aspect ratio, at which the diffusivity coincides with that in the infinite system, is a universal constant independent of the cross-sectional area for the rod system or the thickness for the film system. By extracting the universal structure in the hydrodynamic description, we also suggested a simplified approximate model to accurately predict the size effect on the diffusivity over a practical range of aspect ratios. PMID:26178118
NASA Astrophysics Data System (ADS)
Kikugawa, Gota; Nakano, Takeo; Ohara, Taku
2015-07-01
In the present study, we use molecular dynamics (MD) simulations to provide an insight into the system size effect on the self-diffusion coefficient of liquids in the periodic rectangular parallelepiped system, from the hydrodynamic perspective. We have previously shown that in the rectangular box system, the diffusivity exhibits anomalous behaviors, i.e., the diffusion tensor appears to be anisotropic despite the bulk liquid simulation and the diffusion component in the direction along the short side of rectangular box with a high aspect ratio exceeding the diffusivity in the infinite system [Kikugawa et al., J.Chem. Phys. 142, 024503 (2015)]. So far, the size effect on the diffusivity has been intensively studied in the cubic system and has been interpreted quite well by the theoretical considerations employing the hydrodynamic interaction. Here, we have extended the hydrodynamic theory to be applied to periodic rectangular box systems and compared the theoretical predictions with MD simulation results. As a result, the diffusivity predicted by the hydrodynamic theory shows good agreement with the MD results. In addition, the system size effect was examined in a rod-shaped rectangular box in which the two shorter side lengths were equivalent and a film-type rectangular box in which the two longer side lengths were equivalent. It is of interest that we found that the aspect ratio, at which the diffusivity coincides with that in the infinite system, is a universal constant independent of the cross-sectional area for the rod system or the thickness for the film system. By extracting the universal structure in the hydrodynamic description, we also suggested a simplified approximate model to accurately predict the size effect on the diffusivity over a practical range of aspect ratios.
NASA Astrophysics Data System (ADS)
Lin, Binhua; Cui, Bianxiao; Xu, Xinliang; Zangi, Ronen; Diamant, Haim; Rice, Stuart A.
2015-03-01
We report the results of experimental studies of the short time-long wavelength behavior of collective particle displacements in q1D and q2D colloid suspensions. Our results are reported via the q->0 behavior of the hydrodynamic function H (q) that relates the effective collective diffusion coefficient, De (q) , with the static structure factor S (q) and the self-diffusion coefficient of isolated particles Do: H (q) De (q) S (q) /Do. We find an apparent divergence of H (q) as q->0 with the form H(q)q-(1.7 < ?<1.9), for both q1D and q2D colloid suspensions. Given that S (q) does not diverge as we infer that De (q) does. This behavior is qualitatively different from that of the three-dimensional H (q) and De (q) as q->0, and the divergence is of a different functional form from that predicted for the diffusion coefficient in one component 1D and 2D fluids not subject to boundary conditions that define the dimensionality of the system. The research was supported by the NSF MRSEC at the U of Chicago (NSF/DMR-MRSEC 0820054), NSF/CHE 0822838 (ChemMatCARS), and Israel Science Foundation (Grant No. 8/10).
Mass loading and velocity diffusion models for heavy pickup ions at comet Grigg-Skjellerup
NASA Technical Reports Server (NTRS)
Huddleston, D. E.; Coates, A. J.; Johnstone, A. D.; Neubauer, Fritz M.
1993-01-01
We compare model predictions of cometary water group ion densities and the solar wind slow down with measurements made by the Giotto Johnstone plasma analyzer implanted ion sensor at the encounter with comet Grigg-Skjellerup (G-S) on July 10, 1992. The observed slope of the ion density profile on approach to the comet is unexpectedly steep. Possible explanations for this are discussed. We present also a preliminary investigation of the quasilinear velocity-space diffusion of the implanted heavy ion population at G-S using a transport equation including souce, convection, adiabatic compression, and velocity diffusion terms. Resulting distributions are anisotropic, in agreement with observations. We consider theoretically the waves that may be generated by the diffusion process for the observed solar wind conditions. At initial ion injections, waves are generated at omega approximately Omega(sub i) the ion gyrofrequency, and lower frequencies are predicted for diffusion toward a bispherical shell.
NASA Astrophysics Data System (ADS)
Yang, Xiao-Yong; Lu, Yong; Zhang, Ping
2015-04-01
The temperature-dependent diffusion coefficient of interstitial helium in zirconium carbide (ZrC) matrix is calculated based on the transition state theory. The microscopic parameters in the activation energy and prefactor are obtained from first-principles total energy and phonon frequency calculations including the all atoms. The obtained activation energy is 0.78 eV, consistent with experimental value. Besides, we evaluated the influence of C and Zr vacancies as the perturbation on helium diffusion, and found the C vacancy seems to confine the mobility of helium and the Zr vacancy promotes helium diffusion in some extent. These results provide a good reference to understand the behavior of helium in ZrC matrix.
NASA Astrophysics Data System (ADS)
Li, Zhigang; Wang, Hai
2003-12-01
The transport of small particles in the free-molecule regime is investigated on the basis of gas kinetic theory. Drag force formulations were derived in two limiting collision models—namely, specular and diffuse scattering—by considering the potential force of interactions between the particle and fluid molecules. A parametrized drag coefficient equation is proposed and accounts for the transition from specular to diffuse scattering as particle size exceeds a critical value. The resulting formulations are shown to be consistent with the Chapman-Enskog theory of molecular diffusion. In the limit of rigid-body interactions, these formulations can be simplified also to Epstein’s solutions [P. S. Epstein, Phys. Rev. 23, 710 (1924)].
Strong Pitch-Angle Diffusion of Ring Current Ions in Geomagnetic Storm-Associated Conditions
NASA Technical Reports Server (NTRS)
Khazanov, G. V.; Gamayunov, K. V.; Gallagher, D. L.; Spann, J. F.
2005-01-01
Do electromagnetic ion cyclotron (EMIC) waves cause strong pitch-angle diffusion of RC ions? This question is the primary motivation of this paper and has been affirmatively answered from the theoretical point of view. The materials that are presented in the Results section show clear evidence that strong pitch-angle diffusion takes place in the inner magnetosphere indicating an important role for the wave-particle interaction mechanism in the formation of RC ions and EMIC waves.
Cavé, Lisa; Al, Tom; Xiang, Yan; Vilks, Peter
2009-01-01
The measurement of diffusive properties of low-permeability rocks is of interest to the nuclear power industry, which is considering the option of deep geologic repositories for management of radioactive waste. We present a simple, non-destructive, constant source in-diffusion method for estimating one-dimensional pore diffusion coefficients (D(p)) in geologic materials based on X-ray radiography. Changes in X-ray absorption coefficient (Deltamicro) are used to quantify changes in relative concentration (C/C(0)) of an X-ray attenuating iodide tracer as the tracer solution diffuses through the rock pores. Estimated values of D(p) are then obtained by fitting an analytical solution to the measured concentration profiles over time. Measurements on samples before and after saturation with iodide can also be used to determine iodide-accessible porosity (phi(I)). To evaluate the radiography method, results were compared with traditional steady-state through-diffusion measurements on two rock types: shale and limestone. Values of D(p) of (4.8+/-2.5)x10(-11) m(2).s(-1) (mean+/-standard deviation) were measured for samples of Queenston Formation shale and (2.6+/-1.0)x10(-11) m(2).s(-1) for samples of Cobourg Formation limestone using the radiography method. The range of results for each rock type agree well with D(p) values of (4.6+/-2.0)x10(-11) m(2).s(-1) for shale and (3.5+/-1.8)x10(-11) m(2).s(-1) for limestone, calculated from through-diffusion experiments on adjacent rock samples. Low porosity (0.01 to 0.03) and heterogeneous distribution of porosity in the Cobourg Formation may be responsible for the slightly poorer agreement between radiography and through-diffusion results for limestones. Mean values of phi(I) for shales (0.060) and limestones (0.028) were close to mean porosity measurements made on bulk samples by the independent water loss technique (0.062 and 0.020 for shales and limestones, respectively). Radiography measurements offer the advantage of time-saving for diffusion experiments because the experiment does not require steady-state conditions and also allows for visualization of the small-scale heterogeneities in diffusive properties within rocks at the mm to cm scale. PMID:18838191
Solute diffusion in liquid metals
NASA Technical Reports Server (NTRS)
Bhat, B. N.
1973-01-01
A gas model of diffusion in liquid metals is presented. In this model, ions of liquid metals are assumed to behave like the molecules in a dense gas. Diffusion coefficient of solute is discussed with reference to its mass, ionic size, and pair potential. The model is applied to the case of solute diffusion in liquid silver. An attempt was made to predict diffusion coefficients of solutes with reasonable accuracy.
Carbon ionic diffusion in mixed lanthanide dicarbides for use in novel carbon-ion fuel cells
NASA Astrophysics Data System (ADS)
Simmons, Walker Neal
2001-07-01
Solid ionic electrolytes are a major concern in fuel cell development, but only a few compounds are known to be superionic. The fluorite structure, in particular, has been the basis for several superionic conductors of F -, I-, and O2- ions. Rare earth carbides of the form LnC2 (where Ln refers to any element of the lanthanide series) have the fluorite structure when they are above their transition temperatures, which vary from 350°C (EuC2 ) to 1450°C (LuC2). The carbon atoms in these compounds reside as anions in tetragonal positions equivalent to the positions of the mobile ions, F- and O2- in the known superionic conductors CaF2 and Zr0.8Y0.2O 2. These cubic lanthanide carbide compounds could potentially be good ionic conductors for carbon. The discovery of a material with a high carbon ion conductivity would be a major scientific advance, opening the possibility of an entirely new class of fuel cells that could convert carbon directly to CO/CO2 and produce electric power without combustion. In order to stabilize the cubic fluorite structure to low temperatures, a mixture of two different lanthanide dicarbides must be formed. The lanthanide carbides having a stabilized fluorite structure that have been produced in this research are mixtures of La0.5Er0.5C2, Ce0.5Er0.5C2, and La0.5Y 0.5C2. Aluminum carbide, Al4C3, has also been investigated as a potential carbon ionic conductor. Although Al4C3 does not possess the fluorite crystal structure, it is of interest because the carbon atoms reside as single 4- ions rather than C22- ion pairs found in most carbides. The lanthanide dicarbides were synthesized by reacting mixtures of Ln 2O3 and amorphous 13C under vacuum at high temperatures (>1600°C), using a number of newly developed synthesis techniques. The diffusion coefficients for La0.5-Er0.5C 2 have been found to be approximately 2.0 • 10-13 cm2/sec at 850°C increasing to 1.7 • 10 -12 cm2/sec at 1150°C, which values are not in the range of superionic conductors (10-4--10 -7 cm2/sec). The diffusion coefficient for carbon in aluminum carbide was measured to be 3.2 • 10-13 cm2/sec at 850°C increasing to 4.9 • 10-12 cm2/sec at 1150°C. From these measurements the activation energy for carbon diffusion was calculated to be 95 kJ/mol in lanthanum erbium carbide and 135 kJ/mol in aluminum carbide. These are the first carbon diffusion results ever reported for any member of these two classes of materials. (Abstract shortened by UMI.)
Chan, W.L.; Chason, Eric
2008-01-15
Measurements of stress generation in Cu during low energy ion irradiation show that the induced stress depends on temperature and ion flux. A steady-state compressive stress is observed during irradiation, which turns into tensile stress after the irradiation is stopped. The results cannot be explained by the incorporation of gas ions alone, and point defects generated by the ions must be considered. In this work, the authors develop a continuum model that includes ion implantation, sputtering, and defect diffusion to explain the experimental data. The authors show that the experimental results can be reproduced primarily by considering a difference in diffusivity between interstitials and vacancies.
Use of NMR Imaging to Determine the Diffusion Coefficient of Water in Bio-based Hydrogels
Technology Transfer Automated Retrieval System (TEKTRAN)
The diffusion of liquid in a hydrogel material is a fundamental property which must be controlled in order to create effective delivery systems for the agricultural and pharmaceutical industries. NMR spectroscopy has been used to determine the diffusion of water and deuterium oxide in a bio-based h...
Efficient Reformulation of Solid-Phase Diffusion in Physics-Based Lithium-Ion Battery Models
Subramanian, Venkat
Efficient Reformulation of Solid-Phase Diffusion in Physics-Based Lithium-Ion Battery Models, Berkeley, California 94720-8168, USA Lithium-ion batteries are typically modeled using porous electrode the active materials of porous electrodes for a pseudo-two- dimensional model for lithium-ion batteries
Verónica A. Jiménez; José A. Gavín; Joel B. Alderete
Aqueous solution diffusion coefficients for G0–G3 PAMAM dendrimers were determined from DOSY-NMR spectroscopy at high and\\u000a neutral pH. The study was performed in a dilute regime and diffusion coefficients at infinite dilution (D\\u000a 0) were estimated from the variation of diffusion coefficients with dendrimer concentration. Hydrodynamic radii (R\\u000a h) for each dendrimer were estimated from D\\u000a 0 using the Stoke–Einstein
Oxygen surface exchange and diffusion in the new perovskite oxide ion conductor LaGaO{sub 3}
Ishihara, Tatsumi; Honda, Miho; Takita, Yusaku; Kilner, J.A.
1997-03-19
One of the aims of these experiments was to verify that the oxygen ion is the majority carrier in LaGaO{sub 3}-based materials, as they are thought to exhibit p-type conductivity in the high oxygen partial pressure range. Specifically, we have investigated oxygen surface exchange and diffusion in La{sub 0.9}Sr{sub 0.1}Ga{sub 0.8}Mg{sub 0.2}O{sub 3-x} by {sup 18}O isotopic exchange and SIMS at high partial pressures of oxygen (0.1 MPa). In conclusion, these results show that bulk oxygen diffusion in LSGM is very rapid. By a comparison of the oxygen self-diffusivity obtained from tracer and ionic conductivity, the electrical conductivity observed is ionic in the temperature range we have measured. The surface exchange coefficients are anomalous when compared to other perovskite oxides. The activation enthalpy for surface exchange is higher than that for self diffusion coefficient, a finding observed for two other solid oxide electrolytes with the fluorite structure. This behavior is thought to originate in the low electron concentrations found in these electrolyte materials, particularly at the lowest temperatures. 13 refs., 2 figs.
NASA Astrophysics Data System (ADS)
Torres, Juan F.; Komiya, Atsuki; Henry, Daniel; Maruyama, Shigenao
2013-08-01
We have developed a method to measure thermodiffusion and Fickian diffusion in transparent binary solutions. The measuring instrument consists of two orthogonally aligned phase-shifting interferometers coupled with a single rotating polarizer. This high-resolution interferometer, initially developed to measure isothermal diffusion coefficients in liquid systems [J. F. Torres, A. Komiya, E. Shoji, J. Okajima, and S. Maruyama, Opt. Lasers Eng. 50, 1287 (2012)], was modified to measure transient concentration profiles in binary solutions subject to a linear temperature gradient. A convectionless thermodiffusion field was created in a binary solution sample that is placed inside a Soret cell. This cell consists of a parallelepiped cavity with a horizontal cross-section area of 10 × 20 mm2, a variable height of 1-2 mm, and transparent lateral walls. The small height of the cell reduces the volume of the sample, shortens the measurement time, and increases the hydrodynamic stability of the system. An additional free diffusion experiment with the same optical apparatus provides the so-called contrast factors that relate the unwrapped phase and concentration gradients, i.e., the measurement technique is independent and robust. The Soret coefficient is determined from the concentration and temperature differences between the upper and lower boundaries measured by the interferometer and thermocouples, respectively. The Fickian diffusion coefficient is obtained by fitting a numerical solution to the experimental concentration profile. The method is validated through the measurement of thermodiffusion in the well-known liquid pairs of ethanol-water (ethanol 39.12 wt.%) and isobutylbenzene-dodecane (50.0 wt.%). The obtained coefficients agree with the literature values within 5.0%. Finally, the developed technique is applied to visualize biomolecular thermophoresis. Two protein aqueous solutions at 3 mg/ml were used as samples: aprotinin (6.5 kDa)-water and lysozyme (14.3 kDa)-water. It was found that the former protein molecules are thermophilic and the latter thermophobic. In contrast to previously reported methods, this technique is suitable for both short time and negative Soret coefficient measurements.
Johnson, J.K.; Wang, Y.; Liu, J.-C.; Sholl, D.S.
2007-08-01
Recent experimental work has shown that membranes containing aligned carbon nanotubes exhibit transport rates for gases and liquids that are orders of magnitude larger than rates predicted from Knudsen or hydrodynamic no-slip flow. We present atomically detailed simulations of diffusion of water and alkanes through single-walled carbon nanotubes. The self, corrected, and transported diffusivities are calculated for liquid-like densities of water and alkanes in nanotubes using equilibrium molecular dynamics, with thermodynamic correction factors computed from Monte Carlo adsorption isotherm calculations. We also present the zero-coverage diffusivities for these fluids. We discuss the results in comparison with bulk fluid self-diffusivities and experimental data for flow through nanotubes membranes.
Calculation of diffusion coefficient of long chain molecules using molecular dynamics
NASA Astrophysics Data System (ADS)
Chakraborty, Tanmoy; Hens, Abhiram; Kulashrestha, Shashank; Chandra Murmu, Naresh; Banerjee, Priyabrata
2015-05-01
Molecular dynamics (MD) is a powerful tool for calculating several thermo-physical properties of wide range of materials. In this study, the diffusivities (D) of two widely used long chain molecules MHA and ODT are calculated at various temperatures using MD simulations coupled with Einstein relationship. Four different kinds of forcefields COMPASS, UFF, CVFF and PCFF are employed in the MD simulation and the results are compared. Diffusivity values are evaluated in a humid environment in presence of water molecules.
Measuring the ratio of aqueous diffusion coefficients between [sup 6]Li[sup +]Cl[sup [minus
Fritz, S.J. )
1992-10-01
Osmotic equilibrium is a singular occurrence in the evolution of an osmotic cell because at this event the net solution flux is zero such that [minus]J[sub w] [center dot] [bar V][sub w] = J[sub s] [center dot] [bar V][sub s]. At this juncture, the diffusion coefficient of the solute through the membrane ([omega]) equals the solute flux (J[sub s]) divided by the osmotic pressure ([delta]II). Because the solute permeability coefficient ([omega]) is related to the Fickian diffusion coefficient (D) through the gas constant, temperature, and the membrane's thickness and tortuosity, the ratio of [omega] values for individual isotopic species equals the ratio of D values for the same isotopic components. A 0.9450 molal LiCl solution was placed within sealed dialysis tubing and osmoted against a kilogram of deionized water at 22C. Osmotic equilibrium occurred at 164 [plus minus] 10 min. The ratio of [omega][sub [sup 6]Li[sup +]Cl[sup [minus
NASA Astrophysics Data System (ADS)
Leite, Rosiley A.; Lino, Antonio C. S.; Takahata, Yuji
2003-01-01
The inclusion compounds between iron II lactate and three different cyclodextrins (CDs) were studied by means of experimental and theoretical data. The importance of iron II in the human metabolism effort the necessity of a minimum concentration to the human life. Malnutrition is one great problem in social politics of many countries on the world. The possibility to the development of novel medicines with the iron II species stable look for an increase on the efficiency for this kind of aid. Kinetics measurements confirm the possibility to stop the oxidation reaction. It was the first indication of efficient molecular encapsulation. Diffusion coefficient measurements were carried out by Taylor-Aris diffusion technique. The decrease of diffusion coefficients measured for iron II lactate when alone and forming the inclusion complexes was obtained for all hosts molecules used. Molecular Mechanics calculations were performed to elucidate the perfect arrange of iron II lactate inside CDs cavity. No great differences were obtained to the binding energy for the different hosts. Using the software HyperChem6.03v MM+, AMBER94 and OPLS Forced Fields for iron atom in two chemical environments (a) vacuum and (b) with addition of 250 water molecules (MM+). The solvent treatment was decisive to the order of stability. This order was ?-CD>?-CD>?-CD, the same order of solubility in water. The results contained in this work confirm the possibility to protect iron II lactate against oxidation.
NASA Astrophysics Data System (ADS)
Spruck, K.; Badnell, N. R.; Krantz, C.; Novotný, O.; Becker, A.; Bernhardt, D.; Grieser, M.; Hahn, M.; Repnow, R.; Savin, D. W.; Wolf, A.; Müller, A.; Schippers, S.
2014-09-01
We present experimentally measured and theoretically calculated rate coefficients for the electron-ion recombination of W18+([Kr ]4d104f10) forming W17+. At low electron-ion collision energies, the merged-beam rate coefficient is dominated by strong, mutually overlapping recombination resonances. In the temperature range where the fractional abundance of W18+ is expected to peak in a fusion plasma, the experimentally derived Maxwellian recombination rate coefficient is 5 to 10 times larger than that which is currently recommended for plasma modeling. The complexity of the atomic structure of the open-4f system under study makes the theoretical calculations extremely demanding. Nevertheless, the results of the present Breit-Wigner partitioned dielectronic recombination calculations agree reasonably well with the experimental findings. This also gives confidence in the ability of the theory to generate sufficiently accurate atomic data for the plasma modeling of other complex ions.
Li, Weibin; Kagan, Gerald; Yang, Huan; Cai, Chen; Hopson, Russell; Sweigart, Dwight A; Williard, Paul G
2010-06-18
Development and application of physically separated references for aqueous (1)H DOSY diffusion coefficient-formula weight (D-FW) correlation analysis is reported. Commercially available biological buffers (Tris and HEPES) and a water-soluble alcohol (tert-butanol) were used as physically separated references for a Ru and a Mn complex in D(2)O. This extension of DOSY D-FW analysis expands its applicability to a wide variety of water-soluble molecules or metal complexes, with particular application to green chemistry. PMID:20481557
Zhang, Chun-Yun; Chai, Xin-Sheng
2015-03-13
A novel method for the determination of the diffusion coefficient (D) of methanol in water and olive oil has been developed. Based on multiple headspace extraction gas chromatography (MHE-GC), the methanol released from the liquid sample of interest in a closed sample vial was determined in a stepwise fashion. A theoretical model was derived to establish the relationship between the diffusion coefficient and the GC signals from MHE-GC measurements. The results showed that the present method has an excellent precision (RSD<1%) in the linear fitting procedure and good accuracy for the diffusion coefficients of methanol in both water and olive oil, when compared with data reported in the literature. The present method is simple and practical and can be a valuable tool for the determination of the diffusion coefficient of volatile analyte(s) into food simulants from food and beverage packaging material, both in research studies and in actual applications. PMID:25678320
NASA Technical Reports Server (NTRS)
Sheldon, R. B.
1994-01-01
We have studied the transport and loss of H(+), He(+), and He(++) ions in the Earth's quiet time ring current (1 to 300 keV/e, 3 to 7 R(sub E), Kp less than 2+, absolute value of Dst less than 11, 70 to 110 degs pitchangles, all LT) comparing the standard radial diffusion model developed for the higher-energy radiation belt particles with measurements of the lower energy ring current ions in a previous paper. Large deviations of that model, which fit only 50% of the data to within a factor of 10, suggested that another transport mechanism is operating in the ring current. Here we derive a modified diffusion coefficient corrected for electric field effects on ring current energy ions that fit nearly 80% of the data to within a factor of 2. Thus we infer that electric field fluctuations from the low-latitude to midlatitude ionosphere (ionospheric dynamo) dominated the ring current transport, rather than high-latitude or solar wind fluctuations. Much of the remaining deviation may arise from convective electric field transport of the E less than 30 keV particles. Since convection effects cannot be correctly treated with this azimuthally symmetric model, we defer treatment of the lowest-energy ions to a another paper. We give chi(exp 2) contours for the best fit, showing the dependence of the fit upon the internal/external spectral power of the predicted electric and magnetic field fluctuations.
Roy, Susmita; Yashonath, Subramanian; Bagchi, Biman
2015-03-28
A self-consistent mode coupling theory (MCT) with microscopic inputs of equilibrium pair correlation functions is developed to analyze electrolyte dynamics. We apply the theory to calculate concentration dependence of (i) time dependent ion diffusion, (ii) intermediate scattering function of the constituent ions, and (iii) ion solvation dynamics in electrolyte solution. Brownian dynamics with implicit water molecules and molecular dynamics method with explicit water are used to check the theoretical predictions. The time dependence of ionic self-diffusion coefficient and the corresponding intermediate scattering function evaluated from our MCT approach show quantitative agreement with early experimental and present Brownian dynamic simulation results. With increasing concentration, the dispersion of electrolyte friction is found to occur at increasingly higher frequency, due to the faster relaxation of the ion atmosphere. The wave number dependence of intermediate scattering function, F(k, t), exhibits markedly different relaxation dynamics at different length scales. At small wave numbers, we find the emergence of a step-like relaxation, indicating the presence of both fast and slow time scales in the system. Such behavior allows an intriguing analogy with temperature dependent relaxation dynamics of supercooled liquids. We find that solvation dynamics of a tagged ion exhibits a power law decay at long times-the decay can also be fitted to a stretched exponential form. The emergence of the power law in solvation dynamics has been tested by carrying out long Brownian dynamics simulations with varying ionic concentrations. The solvation time correlation and ion-ion intermediate scattering function indeed exhibit highly interesting, non-trivial dynamical behavior at intermediate to longer times that require further experimental and theoretical studies. PMID:25833591
Estimation of Diffusion Coefficient of Lithium in Carbon Using AC Impedance Technique
,* Venkat R. Subramanian,** John W. Weidner,** and R. E. White***,z Center for Electrochemical Engineering in a lithium-ion battery from ac impedance measurement is of great interest to us.1-6 Basically, the impedance
Jan Pila?; Jaroslav K?íž; Bohumil Meissner; Petr Kadlec; Martin P?ádný
2009-01-01
Dependence of diffusion coefficients of spin-labeled poly(ethylene glycol)s (PEGs, Mw=1500, 3000, and 6000) determined by One-Dimensional Electron Spin Resonance Imaging (1D ESRI) on the properties of hydrogel matrices prepared by photopolymerization of 2-hydroxyethyl methacrylate (HEMA) and 2-(2?-hydroxyethoxy)ethyl methacrylate (DEGMA) was studied. The hydrogels were characterized by degree of crosslinking, ?gel, by hydrodynamic correlation length, ?gel, and by self-diffusion coefficient of
Liu Tianqing; Guo Rong; Song Genping
1996-01-01
Micelle diffusion coefficient of SDS with different micelle shape in aqueous and water-ethanol solutions are determined by cyclic voltammetry without any probe. The diffusion coefficient decreases with as increasing SDS concentration. The first critical micellar concentration is 8.0xl0, mol 1.corresponding to the transformation from premicelle to spherical micelle. The second critical micellar concentration is 5.60x10and corresponding to transformation from spherical
Bini, Fabiano; Marinozzi, Andrea
2014-01-01
We firstly measured the swelling of single trabeculae from human femur heads during water imbibition. Since the swelling is caused by water diffusing from external surfaces to the core of the sample, by measuring the sample swelling over time, we obtained direct information about the transport of fluids through the intimate constituents of bone, where the mineralization process takes place. We developed an apparatus to measure the free expansion of the tissue during the imbibition. In particular, we measured the swelling along three natural axes (length L, width W, and thickness T) of plate-like trabeculae. For this aim, we developed a 3D analytical model of the water uptake by the sample that was performed according to Fickian transport mechanism. The results were then utilized to predict the swelling over time along the three sample directions (L, W, T) and the apparent diffusion coefficients DT, DW, and DL. PMID:24967405
Elsa Uribe; Margarita Miranda; Antonio Vega-Gálvez; Issis Quispe; Rodrigo Clavería; Karina Di Scala
2011-01-01
Mathematical modelling was used to study the effect of process temperature on moisture and salt mass transfer during osmotic\\u000a dehydration (OD) of jumbo squid with 6% (w v\\u000a ?1) NaCl at 75, 85 and 95?°C. The diffusion coefficients for moisture and salt increased with temperature. Based on an Arrhenius-type\\u000a equation, activation energy values of 62.45 kJ mol?1 and 52.14 kJ mol?1 for moisture and
NASA Technical Reports Server (NTRS)
Woodman, R. F.; Rastogi, P. K.
1984-01-01
Radar observations show that thin, persistent layers of turbulence occur sporadically in the troposphere and stratosphere. Two probabilistic approaches are used to show that the vertical eddy diffusivity due to such layers is of the order of 0.2-0.3 sq m/sec in the lower stratosphere. An actual realization of turbulent layers, derived from the radar observations at Arecibo, is used in a numerical approach to obtain a profile of eddy diffusivity. It is suggested that turbulence plays a significant role in the vertical transport of trace constituents in the stratosphere.
Eddy diffusion coefficients and the variance of the atmosphere 30-60 km
NASA Technical Reports Server (NTRS)
Nastrom, G. D.; Belmont, A. D.; Brown, D. E.
1980-01-01
The results of numerical models or of new observational programs are checked by comparing them with past observations. In view of the differing analysis techniques or differing data samples, the eddy diffusivities presented here agree remarkably well with past estimates. However, in the application of K-values to two-dimensional models, the actual magnitude of the diffusivities is no more important than their spatial patterns, i.e., their gradients with height and latitude. It should thus be noted that the present patterns are often much different from those of past results.
Shim, Woo Hyun; Kim, Ho Sung; Choi, Choong-Gon; Kim, Sang Joon
2015-01-01
Background and Purpose Brain tumor cellularity has been assessed by using apparent diffusion coefficient (ADC). However, the ADC value might be influenced by both perfusion and true molecular diffusion, and the perfusion effect on ADC can limit the reliability of ADC in the characterization of tumor cellularity, especially, in hypervascular brain tumors. In contrast, the IVIM technique estimates parameter values for diffusion and perfusion effects separately. The purpose of our study was to compare ADC and IVIM for differentiating among glioblastoma, metastatic tumor, and primary CNS lymphoma (PCNSL) focusing on diffusion-related parameter. Materials and Methods We retrospectively reviewed the data of 128 patients with pathologically confirmed glioblastoma (n = 55), metastasis (n = 31), and PCNSL (n = 42) prior to any treatment. Two neuroradiologists independently calculated the maximum IVIM-f (fmax) and minimum IVIM-D (Dmin) by using 16 different b-values with a bi-exponential fitting of diffusion signal decay, minimum ADC (ADCmin) by using 0 and 1000 b-values with a mono-exponential fitting and maximum normalized cerebral blood volume (nCBVmax). The differences in fmax, Dmin, nCBVmax, and ADCmin among the three tumor pathologies were determined by one-way ANOVA with multiple comparisons. The fmax and Dmin were correlated to the corresponding nCBV and ADC using partial correlation analysis, respectively. Results Using a mono-exponential fitting of diffusion signal decay, the mean ADCmin was significantly lower in PCNSL than in glioblastoma and metastasis. However, using a bi-exponential fitting, the mean Dmin did not significantly differ in the three groups. The mean fmax significantly increased in the glioblastomas (reader 1, 0.103; reader 2, 0.109) and the metastasis (reader 1, 0.105; reader 2, 0.107), compared to the primary CNS lymphomas (reader 1, 0.025; reader 2, 0.023) (P < .001 for each). The correlation between fmax and the corresponding nCBV was highest in glioblastoma group, and the correlation between Dmin and the corresponding ADC was highest in primary CNS lymphomas group. Conclusion Unlike ADC value derived from a mono-exponential fitting of diffusion signal, diffusion-related parametric value derived from a bi-exponential fitting with separation of perfusion effect doesn’t differ among glioblastoma, metastasis, and PCNSL. PMID:26225937
Xu, Junzhong
a range of effective diffu- sion times following microtubule and actin/cytoskeleton de- polymerization of the microtubule and the actin filament networks caused small decreases in ADC at short diffusion times only to microtubule disruption, have also been proposed (11,12) along with possible influen- ces from variations