Correlation and prediction of gaseous diffusion coefficients.
NASA Technical Reports Server (NTRS)
Marrero, T. R.; Mason, E. A.
1973-01-01
A new correlation method for binary gaseous diffusion coefficients from very low temperatures to 10,000 K is proposed based on an extended principle of corresponding states, and having greater range and accuracy than previous correlations. There are two correlation parameters that are related to other physical quantities and that are predictable in the absence of diffusion measurements. Quantum effects and composition dependence are included, but high-pressure effects are not. The results are directly applicable to multicomponent mixtures.
NASA Astrophysics Data System (ADS)
Somers, Marcel A. J.; Mittemeijer, Eric J.
1995-01-01
Models were derived for monolayer and bilayer growth into a substrate in which diffusion of the solute governs the growth kinetics, as in gas-solid reactions, for example. In the models, the composition dependence of the solute diffusivity in the phases constituting the layers was accounted for by appropriate definition of an effective diffusion coefficient for a (sub)layer. This effective diffusion coefficient is the intrinsic diffusion coefficient weighted over the composition range of the (sub)layer. The models were applied for analyzing the growth kinetics of a γ'-Fe4N1-x monolayer on an α-Fe substrate and the growth kinetics of an ɛ-Fe2N1-z/γ'-Fe4N1-x bilayer on an α-Fe substrate, as observed by gaseous nitriding in an NH3/H2-gas mixture at 843 K. The kinetics of layer development and the evolution of the microstructure were investigated by means of thermogravimetry, layer-thickness measurements, light microscopy, and electron probe X-ray microanalysis (EPMA). The effective and self-diffusion coefficients were determined for each of the nitride layers. The composition dependence of the intrinsic (and effective) diffusion coefficients was established. Re-evaluating literature data for diffusion in γ'-Fe4N1-x on the basis of the present model, it followed that the previous and present data are consistent. The activation energy for diffusion of nitrogen in γ'-Fe4N1-x was determined from the temperature dependence of the self-diffusion coefficient. The self-diffusion coefficient for nitrogen in ɛ-Fe2N1-z was significantly larger than that for γ'-Fe4N1-x. This was explained qualitatively, considering the possible mechanisms for interstitial diffusion of nitrogen atoms in the close-packed iron lattices of the ɛ and γ' iron nitrides.
Motyka, Kamil; Mikuška, Pavel; Večeřa, Zbyněk
2011-04-15
The comparison of theoretical approaches describing the collection of analyte in the cylindrical wet effluent diffusion denuder (CWEDD) with experimental data is presented. Various absorption liquids were tested for the collection of formaldehyde (distilled-deionized water, H(2)SO(4) solution), acetaldehyde (distilled-deionized water) and nitrous acid (distilled-deionized water, sodium carbonate and sodium bicarbonate solutions of various concentrations and sodium phosphate pH 6-8) in CWEDD. pH of absorption liquids significantly influences the collection of formaldehyde as well as nitrous acid. The collection efficiency of formaldehyde for 0.05 M H(2)SO(4) as absorption liquid was generally higher than for distilled-deionized water. Absorption liquid pH markedly affected the collection efficiency of HONO too (with increasing pH the collection efficiency increase). Data derived by Gormley-Kennedy equation for all investigated compounds were overestimated especially for higher flow rates of air, data calculated with respect to Henry constant are not in good agreement with experimental data and are considerably depended on a determination of the Henry constant value. The CWEDD can be alternative tool for the determination of uptake coefficient. Obtained uptake coefficients were in good agreement with data found in other literature. PMID:21376982
Garrett, George A.; Shacter, John
1978-01-01
1. A gaseous diffusion system comprising a plurality of diffusers connected in cascade to form a series of stages, each of said diffusers having a porous partition dividing it into a high pressure chamber and a low pressure chamber, and means for combining a portion of the enriched gas from a succeeding stage with a portion of the enriched gas from the low pressure chamber of each stage and feeding it into one extremity of the high pressure chamber thereof.
NASA Astrophysics Data System (ADS)
Wahlbeck, P. G.; Myers, D. L.; Truong, V. V.
1985-09-01
The Ruff-MKW boiling point method is used to determine equilibrium vapor pressures greater than 660 Pa (5 Torr). Samples are vaporized from a Ruff cell, which has a capillary exit, in the presence of an inert gas. Viscosity coefficients and gaseous interdiffusion coefficients may be determined also. This is a second study of the method using Cd(l) and Zn(l) as samples. For the first study with CsCl(l), see J. Chem. Phys. 81, 915 (1984). Vapor pressure data are in good agreement with previous data and gave a third-law ΔsubH0(298) for Cd(s) of 111.95±0.42 kJ/mol and for Zn(s) of 130.65±0.48 kJ/mol. Analyses of the diffusion coefficients gave atomic diameters of 4.06×10-10 m for Cd and 3.46×10-10 m for Zn; these values are somewhat larger than previously measured values. In these experiments when the equilibrium vapor pressures were greater than 13 000 Pa (100 Torr), the need to consider heat transfer from the furnace to the vaporizing sample was noted, i.e., sample cooling occured due to rapid vaporization. Validity of the MKW analysis was found.
Park, T.; Rettich, T.R.; Battino, R.; Emmerich, W.
1987-04-01
The binary gaseous diffusion coefficients for cyclooctane and trans-1,2-dimethylcyclohexane diffusing into helium, argon, methane, and sulfur hexafluoride were measured at about 313.15, 328.15, and 343.15K and atmospheric pressure by the capillary tube method of Stefan. The experimental results are compared with diffusion coefficients calculated via the first-order Chapman-Enskog approximation. For the gases, effective Lennard-Jones pair potential parameters were taken from recent literature; for the liquids they were obtained from an extended corresponding-states correlation.
Turbulent diffusion of chemically reacting gaseous admixtures
NASA Astrophysics Data System (ADS)
Elperin, T.; Kleeorin, N.; Liberman, M.; Rogachevskii, I.
2014-11-01
We study turbulent diffusion of chemically reacting gaseous admixtures in a developed turbulence. In our previous study [Phys. Rev. Lett. 80, 69 (1998), 10.1103/PhysRevLett.80.69] using a path-integral approach for a delta-correlated in a time random velocity field, we demonstrated a strong modification of turbulent transport in fluid flows with chemical reactions or phase transitions. In the present study we use the spectral τ approximation that is valid for large Reynolds and Peclet numbers and show that turbulent diffusion of the reacting species can be strongly depleted by a large factor that is the ratio of turbulent and chemical times (turbulent Damköhler number). We have demonstrated that the derived theoretical dependence of a turbulent diffusion coefficient versus the turbulent Damköhler number is in good agreement with that obtained previously in the numerical modeling of a reactive front propagating in a turbulent flow and described by the Kolmogorov-Petrovskii-Piskunov-Fisher equation. We have found that turbulent cross-effects, e.g., turbulent mutual diffusion of gaseous admixtures and turbulent Dufour effect of the chemically reacting gaseous admixtures, are less sensitive to the values of stoichiometric coefficients. The mechanisms of the turbulent cross-effects differ from the molecular cross-effects known in irreversible thermodynamics. In a fully developed turbulence and at large Peclet numbers the turbulent cross-effects are much larger than the molecular ones. The obtained results are applicable also to heterogeneous phase transitions.
Studies of Gaseous Multiplication Coefficient in Isobutane
Lima, Iara B.; Vivaldini, Tulio C.; Goncalves, Josemary A. C.; Botelho, Suzana; Bueno Tobias, Carmen C.; Ridenti, Marco A.; Pascholati, Paulo R.; Fonte, Paulo; Mangiarotti, Alessio
2010-05-21
This work presents the studies of gaseous multiplication coefficient behavior for isobutane, as function of the reduced electric field, by means of signal amplitude analysis. The experimental method used is based on the Pulsed Townsend technique, which follows from Townsend equation solution for a uniform electric field. In our configuration, the anode is made of a high resistivity (2.10{sup 12} OMEGA.cm) glass, while the cathode is of aluminium. In order to validate the technique and to analyze effects of non-uniformity, results for nitrogen, which has well-established data available in literature, are also presented.
Diffusion Coefficients in White Dwarfs
NASA Astrophysics Data System (ADS)
Saumon, D.; Starrett, C. E.; Daligault, J.
2015-06-01
Models of diffusion in white dwarfs universally rely on the coefficients calculated by Paquette et al. (1986). We present new calculations of diffusion coefficients based on an advanced microscopic theory of dense plasmas and a numerical simulation approach that intrinsically accounts for multiple collisions. Our method is validated against a state-of-the-art method and we present results for the diffusion of carbon ions in a helium plasma.
Cytoplasmic hydrogen ion diffusion coefficient.
al-Baldawi, N F; Abercrombie, R F
1992-01-01
The apparent cytoplasmic proton diffusion coefficient was measured using pH electrodes and samples of cytoplasm extracted from the giant neuron of a marine invertebrate. By suddenly changing the pH at one surface of the sample and recording the relaxation of pH within the sample, an apparent diffusion coefficient of 1.4 +/- 0.5 x 10(-6) cm2/s (N = 7) was measured in the acidic or neutral range of pH (6.0-7.2). This value is approximately 5x lower than the diffusion coefficient of the mobile pH buffers (approximately 8 x 10(-6) cm2/s) and approximately 68x lower than the diffusion coefficient of the hydronium ion (93 x 10(-6) cm2/s). A mobile pH buffer (approximately 15% of the buffering power) and an immobile buffer (approximately 85% of the buffering power) could quantitatively account for the results at acidic or neutral pH. At alkaline pH (8.2-8.6), the apparent proton diffusion coefficient increased to 4.1 +/- 0.8 x 10(-6) cm2/s (N = 7). This larger diffusion coefficient at alkaline pH could be explained quantitatively by the enhanced buffering power of the mobile amino acids. Under the conditions of these experiments, it is unlikely that hydroxide movement influences the apparent hydrogen ion diffusion coefficient. PMID:1617134
Portable vapor diffusion coefficient meter
Ho, Clifford K.
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.
Diffusion method of seperating gaseous mixtures
Pontius, Rex B.
1976-01-01
A method of effecting a relatively large change in the relative concentrations of the components of a gaseous mixture by diffusion which comprises separating the mixture into heavier and lighter portions according to major fraction mass recycle procedure, further separating the heavier portions into still heavier subportions according to a major fraction mass recycle procedure, and further separating the lighter portions into still lighter subportions according to a major fraction equilibrium recycle procedure.
Uranium enrichment export control guide: Gaseous diffusion
Not Available
1989-09-01
This document was prepared to serve as a guide for export control officials in their interpretation, understanding, and implementation of export laws that relate to the Zangger International Trigger List for gaseous diffusion uranium enrichment process components, equipment, and materials. Particular emphasis is focused on items that are especially designed or prepared since export controls are required for these by States that are party to the International Nuclear Nonproliferation Treaty.
Radiant Extinction of Gaseous Diffusion Flames
NASA Technical Reports Server (NTRS)
Berhan, Sean; Atreya, Arvind; Everest, David; Sacksteder, Kurt R.
1999-01-01
The absence of buoyancy-induced flows in microgravity (mu-g) and the resulting increase in the reactant residence time significantly alters the fundamentals of many combustion processes. Substantial differences between normal gravity (ng) and mu-g flames have been reported in experiments on candle flames, flame spread over solids, droplet combustion, and others. These differences are more basic than just in the visible flame shape. Longer residence times and higher concentration of combustion products in the flame zone create a thermochemical environment that changes the flame chemistry and the heat and mass transfer processes. Processes such as flame radiation, that are often ignored in ng, become very important and sometimes even controlling. Furthermore, microgravity conditions considerably enhance flame radiation by: (1) the build-up of combustion products in the high-temperature reaction zone which increases the gas radiation; and (2) longer residence times make conditions appropriate for substantial amounts of soot to form which is also responsible for radiative heat loss. Thus, it is anticipated that radiative heat loss may eventually extinguish the "weak" (low burning rate per unit flame area) mu-g diffusion flame. Yet, space shuttle experiments on candle flames show that in an infinite ambient atmosphere, the hemispherical candle flame in mu-g will burn indefinitely. This may be because of the coupling between the fuel production rate and the flame via the heat-feedback mechanism for candle flames, flames over solids and fuel droplet flames. Thus, to focus only on the gas-phase phenomena leading to radiative extinction, aerodynamically stabilized gaseous diffusion flames are examined. This enables independent control of the fuel flow rate to help identify conditions under which radiative extinction occurs. Also, spherical geometry is chosen for the mu-g experiments and modeling because: (1) It reduces the complexity by making the problem one
Radiant Extinction Of Gaseous Diffusion Flames
NASA Technical Reports Server (NTRS)
Berhan, S.; Chernovsky, M.; Atreya, A.; Baum, Howard R.; Sacksteder, Kurt R.
2003-01-01
The absence of buoyancy-induced flows in microgravity (mu:g) and the resulting increase in the reactant residence time significantly alters the fundamentals of many combustion processes. Substantial differences between normal gravity (ng) and :g flames have been reported in experiments on candle flames [1, 2], flame spread over solids [3, 4], droplet combustion [5,6], and others. These differences are more basic than just in the visible flame shape. Longer residence times and higher concentration of combustion products in the flame zone create a thermochemical environment that changes the flame chemistry and the heat and mass transfer processes. Processes such as flame radiation, that are often ignored in ng, become very important and sometimes even controlling. Furthermore, microgravity conditions considerably enhance flame radiation by: (i) the build-up of combustion products in the high-temperature reaction zone which increases the gas radiation, and (ii) longer residence times make conditions appropriate for substantial amounts of soot to form which is also responsible for radiative heat loss. Thus, it is anticipated that radiative heat loss may eventually extinguish the Aweak@ (low burning rate per unit flame area) :g diffusion flame. Yet, space shuttle experiments on candle flames show that in an infinite ambient atmosphere, the hemispherical candle flame in :g will burn indefinitely [1]. This may be because of the coupling between the fuel production rate and the flame via the heat-feedback mechanism for candle flames, flames over solids and fuel droplet flames. Thus, to focus only on the gas-phase phenomena leading to radiative extinction, aerodynamically stabilized gaseous diffusion flames are examined. This enables independent control of the fuel flow rate to help identify conditions under which radiative extinction occurs. Also, spherical geometry is chosen for the :g experiments and modeling because: (i) It reduces the complexity by making the problem
Simulating Isotope Enrichment by Gaseous Diffusion
NASA Astrophysics Data System (ADS)
Reed, Cameron
2015-04-01
A desktop-computer simulation of isotope enrichment by gaseous diffusion has been developed. The simulation incorporates two non-interacting point-mass species whose members pass through a cascade of cells containing porous membranes and retain constant speeds as they reflect off the walls of the cells and the spaces between holes in the membranes. A particular feature is periodic forward recycling of enriched material to cells further along the cascade along with simultaneous return of depleted material to preceding cells. The number of particles, the mass ratio, the initial fractional abundance of the lighter species, and the time between recycling operations can be chosen by the user. The simulation is simple enough to be understood on the basis of two-dimensional kinematics, and demonstrates that the fractional abundance of the lighter-isotope species increases along the cascade. The logic of the simulation will be described and results of some typical runs will be presented and discussed.
Viscosity and thermal conductivity coefficients of gaseous and liquid oxygen
NASA Technical Reports Server (NTRS)
Hanley, H. J. M.; Mccarty, R. D.; Sengers, J. V.
1974-01-01
Equations and tables are presented for the viscosity and thermal conductivity coefficients of gaseous and liquid oxygen at temperatures between 80 K and 400 K for pressures up to 200 atm. and at temperatures between 80 K and 2000 K for the dilute gas. A description of the anomalous behavior of the thermal conductivity in the critical region is included. The tabulated coefficients are reliable to within about 15% except for a region in the immediate vicinity of the critical point. Some possibilities for future improvements of this reliability are discussed.
Favorite Demonstrations: Gaseous Diffusion: A Demonstration of Graham's Law.
ERIC Educational Resources Information Center
Kauffman, George B.; Ebner, Ronald D.
1985-01-01
Describes a demonstration in which gaseous ammonia and hydrochloric acid are used to illustrate rates of diffusion (Graham's Law). Simple equipment needed for the demonstration include a long tube, rubber stoppes, and cotton. Two related demonstrations are also explained. (DH)
Pulsed ion beam technique for measuring diffusion coefficient of a slow diffusant in polymers
NASA Astrophysics Data System (ADS)
Venkatesan, T.; Edelson, D.; Brown, W. L.
1983-08-01
The determination of diffusion coefficients (D) of small molecules in a polymer for D below 10-10 cm2 s-1 is a difficult measurement using conventional self-supporting polymer membrane techniques. We propose a new method for obtaining similar information by irradiating a polymer with a pulsed ion beam and studying the evolving gaseous products. Product molecules that are not limited by the rate of their production in the film tend to exhibit diffusion limited dynamical characteristics in their transient evolution from the surface. By numerically modeling the diffusion problem we can extract diffusion coefficients from the data. Since thin films (<1 μm) can be used in these experiments, diffusion coefficients less than 10-10 cm2 s-1, typical of many molecules in polymers, can be measured with ease.
Molecular Diffusion Coefficients: Experimental Determination and Demonstration.
ERIC Educational Resources Information Center
Fate, Gwendolyn; Lynn, David G.
1990-01-01
Presented are laboratory methods which allow the demonstration and determination of the diffusion coefficients of compounds ranging in size from water to small proteins. Included are the procedures involving the use of a spectrometer, UV cell, triterated agar, and oxygen diffusion. Results including quantification are described. (CW)
Diffusion and transport coefficients in synthetic opals
Sofo, J. O.; Mahan, G. D.
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.
NASA Astrophysics Data System (ADS)
Chau, J. F.; Or, D.; Jones, S.; Sukop, M.
2004-05-01
Liquid distribution in unsaturated porous media under different gravitational forces and resulting gaseous diffusion coefficients were investigated to enhance understanding of plant growth conditions in microgravity. Different fluid behavior in plant growth media under microgravity conditions as compared to earth presents a challenge to plant growth in long duration space exploration missions. Our primary objective was to provide qualitative description and quantitative measures of the role of reduced gravity on hydraulic and gaseous transport properties in simulated porous media. We implemented a multi-phase lattice Boltzmann code for equilibrium distribution of liquid in an idealized two-dimensional porous medium under microgravity and "normal" gravity conditions. The information was then used to provide boundary conditions for simulation of gaseous diffusion through the equilibrium domains (considering diffusion through liquid phase negligibly small). The models were tested by comparison with several analytical solutions to the diffusion equation, with excellent results. The relative diffusion coefficient for both series of simulations (with and without gravity) as functions of air-filled porosity was in good agreement with established models of Millington-Quirk. Liquid distribution under earth's gravity featured increased water content at the lower part of the medium relative to the distribution in reduced gravity, which resulted in decreased gas diffusion through a vertically oriented column of a porous medium. Simulation results for larger domains under various orientations will be presented.
Radiant extinction of gaseous diffusion flames
NASA Technical Reports Server (NTRS)
Atreya, Arvind; Agrawal, Sanjay; Shamim, Tariq; Pickett, Kent; Sacksteder, Kurt R.; Baum, Howard R.
1995-01-01
The absence of buoyancy-induced flows in microgravity significantly alters the fundamentals of many combustion processes. Substantial differences between normal-gravity and microgravity flames have been reported during droplet combustion, flame spread over solids, candle flames, and others. These differences are more basic than just in the visible flame shape. Longer residence time and higher concentration of combustion products create a thermochemical environment which changes the flame chemistry. Processes such as flame radiation, that are often ignored under normal gravity, become very important and sometimes even controlling. This is particularly true for conditions at extinction of a microgravity diffusion flame. Under normal-gravity, the buoyant flow, which may be characterized by the strain rate, assists the diffusion process to transport the fuel and oxidizer to the combustion zone and remove the hot combustion products from it. These are essential functions for the survival of the flame which needs fuel and oxidizer. Thus, as the strain rate is increased, the diffusion flame which is 'weak' (reduced burning rate per unit flame area) at low strain rates is initially 'strengthened' and eventually it may be 'blown-out'. Most of the previous research on diffusion flame extinction has been conducted at the high strain rate 'blow-off' limit. The literature substantially lacks information on low strain rate, radiation-induced, extinction of diffusion flames. At the low strain rates encountered in microgravity, flame radiation is enhanced due to: (1) build-up of combustion products in the flame zone which increases the gas radiation, and (2) low strain rates provide sufficient residence time for substantial amounts of soot to form which further increases the flame radiation. It is expected that this radiative heat loss will extinguish the already 'weak' diffusion flame under certain conditions. Identifying these conditions (ambient atmosphere, fuel flow rate, fuel
Numerical investigations of gaseous spherical diffusion flames
NASA Astrophysics Data System (ADS)
Lecoustre, Vivien R.
Spherical diffusion flames have several unique characteristics that make them attractive from experimental and theoretical perspectives. They can be modeled with one spatial dimension, which frees computational resources for detailed chemistry, transport, and radiative loss models. This dissertation is a numerical study of two classes of spherical diffusion flames: hydrogen micro-diffusion flames, emphasizing kinetic extinction, and ethylene diffusion flames, emphasizing sooting limits. The flames were modeled using a one-dimensional, time-accurate diffusion flame code with detailed chemistry and transport. Radiative losses from products were modeled using a detailed absorption/emission statistical narrow band model and the discrete ordinates method. During this work the code has been enhanced by the implementation of a soot formation/oxidation model using the method of moments. Hydrogen micro-diffusion flames were studied experimentally and numerically. The experiments involved gas jets of hydrogen. At their quenching limits, these flames had heat release rates of 0.46 and 0.25 W in air and in oxygen, respectively. These are the weakest flames ever observed. The modeling results confirmed the quenching limits and revealed high rates of reactant leakage near the limits. The effects of the burner size and mass flow rate were predicted to have a significant impact on the flame chemistry and species distribution profiles, favoring kinetic extinction. Spherical ethylene diffusion flames at their sooting limits were also examined. Seventeen normal and inverse spherical flames were considered. Initially sooty, these flames were experimentally observed to reach their sooting limits 2 s after ignition. Structure of the flames at 2 s was considered, with an emphasis on the relationships among local temperature, carbon to oxygen atom ratio (C/O), and scalar dissipation rate. A critical C/O ratio was identified, along with two different sooting limit regimes. Diffusion flames
An introduction to technetium in the gaseous diffusion cascades
Simmons, D.W.
1996-09-01
The radioisotope technetium-99 ({sup 99}Tc) was introduced into the gaseous diffusion plants (GDP) as a contaminant in uranium that had been reprocessed from spent nuclear reactor fuel. {sup 99}Tc is a product of the nuclear fission of uranium-235 ({sup 235}U). The significantly higher emitted radioactivity of {sup 99}Tc generates concern in the enrichment complex and warrants increased attention (1) to the control of all site emissions, (2) to worker exposures and contamination control when process equipment requires disassembly and decontamination, and (3) to product purity when the enriched uranium hexafluoride (UF{sub 6}) product is marketed to the private sector. A total of 101,268 metric tons of RU ({approximately}96% of the total) was fed at the Paducah Gaseous Diffusion Plant (PGDP) between FY1953 and FY1976. An additional 5600 metric tons of RU from the government reactors were fed at the Oak Ridge Gaseous Diffusion Plant (ORGDP), plus an approximate 500 tons of foreign reactor returns. Only a small amount of RU was fed directly at the Portsmouth Gaseous Diffusion Plant (PORTS). The slightly enriched PGDP product was then fed to either the ORGDP or PORTS cascades for final enrichment. Bailey estimated in 1988 that of the 606 kg of Tc received at PGDP from RU, 121 kg was subsequently re-fed to ORGDP and 85 kg re-fed to PORTS.
THE DIFFUSION COEFFICIENT OF CRYSTALLINE TRYPSIN
Scherp, Henry W.
1933-01-01
The diffusion coefficient of crystalline trypsin in 0.5 saturated magnesium sulfate at 5°C. is 0.020 ±0.001 cm.2 per day, corresponding to a molecular radius of 2.6 x 10–7 cm. The rate of diffusion of the proteolytic activity is the same as that of the protein nitrogen, indicating that these two properties are held together in chemical combination and not in the form of an adsorption complex. PMID:19872740
The electron diffusion coefficient in Jupiter's magnetosphere
NASA Technical Reports Server (NTRS)
Birmingham, T.; Northrop, T.; Baxter, R.; Hess, W.; Lojko, M.
1974-01-01
A steady-state model of Jupiter's electron radiation belt is developed. The model includes injection from the solar wind, radial diffusion, energy degradation by synchrotron radiation, and absorption at Jupiter's surface. A diffusion coefficient of the form D sub RR/R sub J squared = k times R to the m-th power is assumed, and then observed data on synchrotron radiation are used to fit the model. The free parameters determined from this fit are m = 1.95 plus or minus 0.5, k = 1.7 plus or minus 0.5 x 10 to the 9th power per sec, and the magnetic moment of injected particles equals 770 plus or minus 300 MeV/G. The value of m shows quite clearly that the diffusion is not caused by magnetic pumping by a variable solar wind or by a fluctuating convection electric field. The process might be field line exchange driven by atmospheric-ionospheric winds; our diffusion coefficient has roughly the same radial dependence but is considerably smaller in magnitude than the upper bound diffusion coefficients recently suggested for this process by Brice and McDonough (1973) and Jacques and Davis (1972).
Paducah Gaseous Diffusion Plant Environmental report for 1990
Counce-Brown, D.
1991-09-01
This two-part report, Paducah Gaseous Diffusion Plant Site Environmental Report for 1990, is published annually. It reflects the results of a comprehensive, year-round program to monitor the impact of operations at Paducah Gaseous Diffusion Plant (PGDP) on the area's groundwater and surface waters, soil, air quality, vegetation, and wildlife. In addition, an assessment of the effect of PGDP effluents on the resident human population is made. PGDP's overall goal for environmental management is to protect the environment and PGDP's neighbors and to maintain full compliance with all current regulations. The current environmental strategy is to identify any deficiencies and to develop a system to resolve them. The long-range goal of environmental management is to minimize the source of pollutants, to reduce the formation of waste, and to minimize hazardous waste by substitution of materials.
Paducah Gaseous Diffusion Plant environmental report for 1992
Horak, C.M.
1993-09-01
This two-part report, Paducah Gaseous Diffusion Plant Environmental Report for 1992, is published annually. It reflects the results of an environmental monitoring program designed to quantify potential increases in the concentration of contaminants and potential doses to the resident human population. The Paducah Gaseous Diffusion Plant (PGDP) overall goal for environmental management is to protect the environment and PGDP`s neighbors and to maintain full compliance with all current regulations. The current environmental strategy is to identify any deficiencies and to develop a system to resolve them. The long-range goal of environmental management is to minimize the source of pollutants, reduce the generation of waste, and minimize hazardous waste by substitution of materials.
Overview of seismic considerations at the Paducah Gaseous Diffusion Plant
Hunt, R.J.; Stoddart, W.C.; Burnett, W.A.; Beavers, J.E.
1992-10-01
This paper presents an overview of seismic considerations at the Paducah Gaseous Diffusion Plant (PGDP), which is managed by Martin Marietta Energy Systems, Inc., for the Department of Energy (DOE). The overview describes the original design, the seismic evaluations performed for the Safety Analysis Report (SAR) issued in 1985, and current evaluations and designs to address revised DOE requirements. Future plans to ensure changes in requirements and knowledge are addressed.
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
NASA Technical Reports Server (NTRS)
Chau, Jessica Furrer; Or, Dani; Sukop, Michael C.; Steinberg, S. L. (Principal Investigator)
2005-01-01
Liquid distributions in unsaturated porous media under different gravitational accelerations and corresponding macroscopic gaseous diffusion coefficients were investigated to enhance understanding of plant growth conditions in microgravity. We used a single-component, multiphase lattice Boltzmann code to simulate liquid configurations in two-dimensional porous media at varying water contents for different gravity conditions and measured gas diffusion through the media using a multicomponent lattice Boltzmann code. The relative diffusion coefficients (D rel) for simulations with and without gravity as functions of air-filled porosity were in good agreement with measured data and established models. We found significant differences in liquid configuration in porous media, leading to reductions in D rel of up to 25% under zero gravity. The study highlights potential applications of the lattice Boltzmann method for rapid and cost-effective evaluation of alternative plant growth media designs under variable gravity.
NASA Astrophysics Data System (ADS)
Chau, Jessica Furrer; Or, Dani; Sukop, Michael C.
2005-08-01
Liquid distributions in unsaturated porous media under different gravitational accelerations and corresponding macroscopic gaseous diffusion coefficients were investigated to enhance understanding of plant growth conditions in microgravity. We used a single-component, multiphase lattice Boltzmann code to simulate liquid configurations in two-dimensional porous media at varying water contents for different gravity conditions and measured gas diffusion through the media using a multicomponent lattice Boltzmann code. The relative diffusion coefficients (Drel) for simulations with and without gravity as functions of air-filled porosity were in good agreement with measured data and established models. We found significant differences in liquid configuration in porous media, leading to reductions in Drel of up to 25% under zero gravity. The study highlights potential applications of the lattice Boltzmann method for rapid and cost-effective evaluation of alternative plant growth media designs under variable gravity.
Chau, Jessica Furrer; Or, Dani
2006-11-01
The effect of drainage front morphology on gaseous diffusion through partially saturated porous media is analyzed using the lattice Boltzmann method (LBM). Flow regimes for immiscible displacement in porous media have been characterized as stable displacement, capillary fingering, and viscous fingering. The dominance of a flow regime is associated with the relative magnitudes of gravity, viscous, and capillary forces, quantifiable via the Bond number Bo, capillary number Ca, and their difference, Bo-Ca . Forced drainage from an initially saturated two-dimensional (2D) porous medium was simulated and the resulting flow patterns were analyzed and compared with theoretical predictions and experimental results. The LBM simulations reproduced expected flow morphologies for a range of drainage velocities and gravitational forces (i.e., a range of capillary and Bond numbers). Furthermore, measures of drainage front width as a function of the dimensionless difference Bo-Ca correspond well with scaling laws derived from percolation theory. Effects of flow morphology on residual fluid entrapment and gaseous diffusion were assessed by running LBM diffusion simulations through the partially saturated domain for a range of water contents. The effective diffusion coefficient as a function of water content was estimated for three regimes: stable drainage front, capillary fingering, and viscous fingering. Significant reductions in gaseous diffusion coefficient were found for viscous fingering relative to stable displacement, and to a lesser extent for capillary fingering, indicating that wetting phase distribution with a high degree of fingering in the 2D domain severely restricts connectivity of gas diffusion pathways through the medium. The study lends support for the use of LBM in design and management of fluids in porous media under variable gravity, and enhances the understanding of the role of dynamic fluid behavior on macroscopic transport properties of partially saturated
Paducah Gaseous Diffusion Plant Annual Site Environmental Report for 1993
Not Available
1994-10-01
The purpose of this document is to summarize effluent monitoring and environmental surveillance results and compliance with environmental laws, regulations, and orders at the Paducah Gaseous Diffusion Plant (PGDP). Environmental monitoring at PGDP consists of two major activities: effluent monitoring and environmental surveillance. Effluent monitoring is direct measurement or the collection and analysis of samples of liquid and gaseous discharges to the environment. Environmental surveillance is direct measurement or the collection and analysis of samples of air, water, soil, foodstuff, biota, and other media. Environmental monitoring is performed to characterize and quantify contaminants, assess radiation exposures of members of the public, demonstrate compliance with applicable standards and permit requirements, and detect and assess the effects (if any) on the local environment. Multiple samples are collected throughout the year and are analyzed for radioactivity, chemical content, and various physical attributes.
Portsmouth Gaseous Diffusion Plant Environmental report for 1990
Counce-Brown, D.
1991-09-01
This calendar year 1990 annual report on environmental surveillance of the US Department of Energy's (DOE's) Portsmouth Gaseous Diffusion Plant (PORTS) and its environs consists of two parts: the summary, discussion, and conclusions (Part 1) and the data presentation (Part 2). The objectives of this report are as follows: report 1990 monitoring data for the installation and its environs that may have been affected by operations on the plant site, provide reasonably detailed information about the plant site and plant operations, provide detailed information on input and assumptions used in all calculations, provide trend analyses (when appropriate) to indicate increases and decreases in environmental impact, and provide general information on plant quality assurance.
Altitude Dependent Auroral Ion Diffusion Coefficients
NASA Astrophysics Data System (ADS)
Ludlow, G. R.
2011-12-01
Simultaneous upgoing auroral H+ and O+ ion beams generate ion acoustic waves which have both parallel and oblique wave vectors with respect to the ambient magnetic field. A parallel mode is investigated with phase velocity UO + CO in the direction of beam propagation, where UO is the oxygen beam velocity and CO is the oxygen ion sound speed. Due to the mass difference, this mode preferentially resonates with the oxygen beam through the n = 1 cyclotron resonance, causing O+ ions to diffuse in a direction that is primarily perpendicular to the background magnetic field. The Landau resonance (n = 0) is very narrow in parallel velocity and does not interact with either ion beam. In one case study the parallel acoustic mode begins to resonate with O+ ions within the auroral acceleration region and this resonant region in velocity space sweeps through the entire O+ beam as it moves into weaker magnetic field regions. The O+ quasilinear diffusion coefficients are examined during this process. Perpendicular diffusion becomes significant when the parallel resonant velocity is close to the parallel group velocity of the waves. This selects regions of velocity space where perpendicular diffusion is maximum which occurs at the leading edge of the resonant region as it sweeps through the O+ beam. In k - space these resonant velocities correspond to the regions of peak growth rate. The relevance of this work to the selective energization of heavy auroral ion beams will be discussed.
Estimating Vertical Diffusion Coefficients By Lidar
NASA Technical Reports Server (NTRS)
Culkowski, Walter M.; Swisher, Searle D.
1973-01-01
The Atmospheric Turbulence and Diffusion Laboratory at Oak Ridge, Tennessee has been conducting routine probing of the lower troposphere and comparing the results with those obtained with turbidity photometers and a distant suspended particulate station. The change in scale height, K (sub z) divided by v (sub s), with time permits the vertical turbulence coefficient K (sub z) to be estimated if v (sub s) is known or assumed. Extremely high monthly correlations of turbidity versus the log of backscatter at 100 meters have been obtained. In addition, high correlations of suspended particulate matter at Chattanooga and Oak Ridge suggest that the bulk of particulate matter is of natural, rather than industrial, origin.
Stratospheric eddy diffusion coefficients from tracer data
NASA Technical Reports Server (NTRS)
Massie, S. T.; Hunten, D. M.
1981-01-01
Global distributions of nitrous oxide, methane, ozone, and carbon 14 are used to estimate four sets of stratospheric eddy diffusion coefficients. A photochemical equilibrium model calculates O(3P), O(1D), H, HO2, OH, H2O2, NO, and NO2 densities, as a function of altitude, latitude, and time. The calculated O(1D), OH, and observed Cl densities are used to obtain the eddy profiles associated with the methane and nitrous oxide distributions, for altitudes between 10 and 40 km. Application of a constant flux condition to the seasonally averaged ozone data yields eddy values below 20 km. Time-dependent carbon 14 calculations produce eddy coefficients between 13 and 27 km. A composite profile is obtained by comparing the four sets of coefficients. Further, carbon 14 computations are used to test these profiles as well as those recommended in reports issued by the National Academy of Sciences in 1976 and 1979. The composite eddy profile produces the best agreement.
Interplanetary diffusion coefficients for cosmic rays
NASA Technical Reports Server (NTRS)
Cummings, A. C.; Stone, E. C.; Vogt, R. E.
1974-01-01
Information on the cosmic-ray diffusion coefficient, kappa, derived from near-earth observations of the solar modulation of galactic electron fluxes and from the near-earth power spectra of the interplanetary magnetic field, has been used to study the heliocentric radial dependence of kappa, and to derive limits on the spatial extent of the solar modulation region. Representing kappa, as a separable function of radius r and rigidity, and assumming kappa(r) proportional to r to the n-th power, we can place a limit on the power law exponent, n not greater than 1.2. The distance of the modulation boundary is a function of n, and, e.g., for n = 0, falls into the range of 6-25 AU.
Paducah Gaseous Diffusion Plant environmental report for 1989
Turner, J.W. )
1990-10-01
This two-part environmental report is published annually. It reflects the results of a comprehensive, year-round program to monitor the impact of operations at Paducah Gaseous Diffusion Plant (PGDP) on the area's groundwater and surface waters, soil, air quality, vegetation, and wildlife. In addition, an assessment of the effect of PGDP effluents on the resident human population is made. PGDP's overall goal for environmental management is to protect the environment and PGDP's neighbors and to maintain full compliance with all current regulations. The current environmental strategy is to identify any deficiencies and to develop a system to resolve them. The long-range goal of environmental management is to minimize the source of pollutants, to reduce the formation of waste, and to minimize hazardous waste by substitution of materials. 36 refs.
Measurement of the Portsmouth Gaseous Diffusion Plant criticality accident alarm
Tayloe, R.W. Jr. ); McGinnis, B. )
1990-08-31
Measurements of the Portsmouth Gaseous Diffusion Plant's nuclear criticality accident radiation alarm signal response time, sound wave frequency, and sound volume levels were made to demonstrate compliance with ANSI/ANS-8.3-1986. A steady-state alarm signal is produced within one-half second of obtaining a two-out-of-three detector trip. The fundamental alarm sound wave frequency is 440 hertz. The sound volume levels are greater than 10 decibels above background and ranged from 100 to 125 A-weighted decibels. The requirements of the standard were met; however the recommended maximum sound volume level of 115 dBA was exceeded. Emergency procedures require immediate evacuation upon initiation of a facility's radiation alarm. Comparison with standards for allowable time of exposure at different noise levels indicate that the elevated noise level at this location does not represent an occupational injury hazard. 8 refs., 5 figs.
Portsmouth Gaseous Diffusion Plant annual site environmental report for 1993
Horak, C.M.
1994-11-01
This calendar year (CY) 1993 annual report on environmental monitoring of the US Department of Energy`s (DOE`s) Portsmouth Gaseous Diffusion Plant (Portsmouth) and its environs consists of three separate documents: a summary pamphlet for the general public; a more detail discussion and of compliance status, data, and environmental impacts (this document); and a volume of detailed data that is available on request. The objectives of this report are to report compliance status during 1993; provide information about the plant site and plant operations; report 1993 monitoring data for the installation and its environs that may have been affected by operations on the plant site; document information on input and assumptions used in calculations; provide trend analyses (where appropriate) to indicate increases and decreases in environmental impact, and provide general information on quality assurance for the environmental monitoring program.
Seismic issues at the Paducah Gaseous Diffusion Plant
Fricke, K.E. )
1989-11-01
A seismic expert workshop was held at the Paducah Gaseous Diffusion Plant (PGDP) on March 13--15, 1989. the PGDP is operated by Martin Marietta Energy Systems, Inc. for the United States Department of Energy (DOE). During the last twenty years the design criteria for natural phenomenon hazards has steadily become more demanding at all of the DOE Oak Ridge Operations (ORO) sites. The purpose of the two-day workshop was to review the seismic vulnerability issues of the PGDP facilities. Participants to the workshop included recognized experts in the fields of seismic engineering, seismology and geosciences, and probabilistic analysis, along with engineers and other personnel from Energy Systems. A complete list of the workshop participants is included in the front of this report. 29 refs.
ANALYTIC FORMS OF THE PERPENDICULAR DIFFUSION COEFFICIENT IN NRMHD TURBULENCE
Shalchi, A.
2015-02-01
In the past different analytic limits for the perpendicular diffusion coefficient of energetic particles interacting with magnetic turbulence were discussed. These different limits or cases correspond to different transport modes describing how the particles are diffusing across the large-scale magnetic field. In the current paper we describe a new transport regime by considering the model of noisy reduced magnetohydrodynamic turbulence. We derive different analytic forms of the perpendicular diffusion coefficient, and while we do this, we focus on the aforementioned new transport mode. We show that for this turbulence model a small perpendicular diffusion coefficient can be obtained so that the latter diffusion coefficient is more than hundred times smaller than the parallel diffusion coefficient. This result is relevant to explain observations in the solar system where such small perpendicular diffusion coefficients have been reported.
Federal Register 2010, 2011, 2012, 2013, 2014
2013-11-06
... (78 FR 47780). At the request of the company official, the Department reviewed the certification for... Employment and Training Administration United States Enrichment Corporation, Paducah Gaseous Diffusion Plant... Corporation, Paducah Gaseous Diffusion Plant, including on-site leased workers from Diversified...
78 FR 30342 - United States Enrichment Corporation, Paducah Gaseous Diffusion Plant
Federal Register 2010, 2011, 2012, 2013, 2014
2013-05-22
... COMMISSION United States Enrichment Corporation, Paducah Gaseous Diffusion Plant AGENCY: Nuclear Regulatory... Renewal of its Certificate of Compliance (CoC) for the Paducah Gaseous Diffusion Plant (PGDP). The... compliance for PGDP on November 26, 1996, and assumed regulatory oversight for the plant on March 3,...
Gaseous Diffusion and Pore Structure in Nuclear Graphites.
NASA Astrophysics Data System (ADS)
Mays, Timothy John
Available from UMI in association with The British Library. With the incentive of providing more information for oxidation and safety studies of graphite components in thermal nuclear reactors, a new method has been developed to determine the gas transport pore structure in nuclear graphites. It involves an analysis of the dependence on pressure of the isobaric, isothermal (room temperature) diffusivity ratios of components in a binary gas mixture flowing through annular graphite samples. A Wicke-Kallenbach apparatus was specially built to measure He-Ar diffusivity ratios at pressures below 100 Torr. The new apparatus incorporates capacitance manometers and servovalves for pressure measurement and control, hot wire meters for flow rate measurements, and a mass spectrometer for gas analysis. As pressure decreased, the diffusivity ratios were observed to decrease non-linearly, indicating that the mechanism of flow in the materials was in the transition region between molecular and Knudsen diffusion. A mathematical model was derived to relate the pressure dependence of the transition diffusivity ratio to gas transport pore structure, and a statistical analysis based on Tikhonov regularisation was developed which gave a good fit of the model to the data, and optimal estimates of the number of model capillary pores, and the distribution of pore sizes. In comparison, the established methods of molecular diffusion and permeation (flow of pure gases) only give mean data on the pore size distribution. Pore structure data from the new method accurately predicted CO_2-Ar molecular diffusivity ratios, but overestimated N_2 permeability coefficients, due, it was assumed, to differences between diffusion and permeation pore structure. The cumulative volume distributions for transport pores from the transition diffusion data were similar in shape to those for open pores from mercury porosimetry, but shifted towards higher pore radii, indicating that diffusion is not so influenced
Diffusion coefficient of three-dimensional Yukawa liquids
Dzhumagulova, K. N.; Ramazanov, T. S.; Masheeva, R. U.
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.
Combined diffusion coefficients for a mixture of three ionized gases
NASA Astrophysics Data System (ADS)
Zhang, X. N.; Murphy, A. B.; Li, H. P.; Xia, W. D.
2014-12-01
The combined diffusion coefficient method has been demonstrated to greatly simplify the treatment of diffusion in the modelling of thermal plasmas in gas mixtures without loss of accuracy. In this paper, an extension of this method to allow treatment of diffusion of a three-gas mixture has been achieved, provided that the gases are homonuclear and do not react with each other, and satisfy local chemical equilibrium. Formulas for the combined diffusion coefficients are presented, and combined diffusion coefficients for different mixtures of helium, argon and carbon at temperatures up to 30 000 K and at atmosphere pressure are calculated as an example.
Paducah Gaseous Diffusion Plant Northwest Plume interceptor system evaluation
Laase, A.D.; Clausen, J.L.
1998-07-01
The Paducah Gaseous Diffusion Plant (PGDP) recently installed an interceptor system consisting of four wells, evenly divided between two well fields, to contain the Northwest Plume. As stated in the Northwest Plume Record of Decision (ROD), groundwater will be pumped at a rate to reduce further contamination and initiate control of the northwest contaminant plume. The objective of this evaluation was to determine the optimum (minimal) well field pumping rates required for plume hotspot containment. Plume hotspot, as defined in the Northwest Plume ROD and throughout this report, is that portion of the plume with trichloroethene (TCE) concentrations greater than 1,000 {micro}g/L. An existing 3-dimensional groundwater model was modified and used to perform capture zone analyses of the north and south interceptor system well fields. Model results suggest that the plume hotspot is not contained at the system design pumping rate of 100 gallons per minute (gal/min) per well field. Rather, the modeling determined that north and south well field pumping rates of 400 and 150 gal/min, respectively, are necessary for plume hotspot containment. The difference between the design and optimal pumping rates required for containment can be attributed to the discovery of a highly transmissive zone in the vicinity of the two well fields.
IAEA verification experiment at the Portsmouth Gaseous Diffusion Plant
Gordon, D.M.; Subudhi, M.; Calvert, O.L.; Bonner, T.N.; Adams, J.G.; Cherry, R.C.; Whiting, N.E.
1998-08-01
In April 1996, the United States (US) added the Portsmouth Gaseous Diffusion Plant to the list of facilities eligible for the application of International Atomic Energy Agency (IAEA) safeguards. At that time, the US proposed that the IAEA carry out a Verification Experiment at the plant with respect to the downblending of about 13 metric tons of highly enriched uranium (HEU) in the form of UF{sub 6}. This material is part of the 226 metric tons of fissile material that President Clinton has declared to be excess to US national-security needs and which will be permanently withdrawn from the US nuclear stockpile. In September 1997, the IAEA agreed to carry out this experiment, and during the first three weeks of December 1997, the IAEA verified the design information concerning the downblending process. The plant has been subject to short-notice random inspections since December 17, 1997. This paper provides an overview of the Verification Experiment, the monitoring technologies used in the verification approach, and some of the experience gained to date.
Bioavailability study for the Paducah Gaseous Diffusion Plant
Phipps, T.L.; Kszos, L.A.
1996-08-01
The overall purpose of this plan is to assess the bioavailability of metals in the continuous and intermittent outfalls. The results may be used to determine alternative metal limits that more appropriately measure the portion of metal present necessary for toxicity to aquatic life. These limits must remain protective of in-stream aquatic life; thus, the highest concentration of metal in the water will be determined concurrently with an assessment of acute or chronic toxicity on laboratory tests. Using the method developed by the Kentucky Division of Water (KDOW), biomonitoring results and chemical data will be used to recommend alternative metal limits for the outfalls of concern. The data will be used to meet the objectives of the study: (1) evaluate the toxicity of continuous outfalls and intermittent outfalls at Paducah Gaseous Diffusion Plant; (2) determine the mean ratio of dissolved to Total Recoverable metal for Cd, Cr, Cu, Pb, Ni, and Zn in the continuous and intermittent outfalls; (3) determine whether the concentration of total recoverable metal discharged causes toxicity to fathead minnows and /or Ceriodaphnia; and (4) determine alternative metal limits for each metal of concern (Cd, Cr, Cu, Pb, Ni, and Zn).
Innovative Decontamination Technology for Use in Gaseous Diffusion Plant Decommissioning
Peters, M.J.; Norton, C.J.; Fraikor, G.B.; Potter, G.L.; Chang, K.C.
2006-07-01
The results of bench scale tests demonstrated that TechXtract{sup R} RadPro{sup TM} technology (hereinafter referred to as RadPro{sup R}) can provide 100% coverage of complex mockup gaseous diffusion plant (GDP) equipment and can decontaminate uranium (U) deposits with 98% to 99.99% efficiency. Deployment tests demonstrated RadPro{sup R} can be applied as foam, mist/fog, or steam, and fully cover the internal surfaces of complex mockup equipment, including large piping. Decontamination tests demonstrated that two formulations of RadPro{sup R}, one with neutron attenuators and one without neutron attenuators, could remove up to 99.99% of uranyl fluoride deposits, one of the most difficult to remove deposits in GDP equipment. These results were supplemented by results from previous tests conducted in 1994 that showed RadPro{sup R} could remove >97% of U and Tc-99 contamination from actual GDP components. Operational use of RadPro{sup R} at other DOE and commercial facilities also support these data. (authors)
Portsmouth Gaseous Diffusion Plant environmental report for 1989
Turner, J.W. )
1990-10-01
This calendar year 1989 annual report on environmental surveillance of the US Department of Energy's (DOE) Portsmouth Gaseous Diffusion Plant (PORTS) and its environs consists of two parts: the Summary, Discussion, and Conclusions (Part 1) and the Data Presentation (Part 2). The objectives of this report are the following: report 1989 monitoring data for the installation and its environs that may have been affected by operations on the plant site, provide reasonably detailed information about the plant site and plant operations, provide detailed information on input and assumptions used in all calculations, provide trend analyses (where appropriate) to indicate increases and decreases in environmental impact, and provide general information on plant quality assurance. Routine monitoring and sampling for radiation, radioactive materials, and chemical substances on and off the DOE site are used to document compliance with appropriate standards, to identify trends, to provide information for the public, and to contribute to general environmental knowledge. The surveillance program assists in fulfilling the DOE policy of protecting the public, employees, and environment from harm that could be caused by its activities and reducing negative environmental impacts to the greatest degree practicable. Environmental-monitoring information complements data on specific releases, trends, and summaries. 26 refs.
Temperature dependence of the diffusion coefficient of nanoparticles
NASA Astrophysics Data System (ADS)
Rudyak, V. Ya.; Dubtsov, S. N.; Baklanov, A. M.
2008-06-01
The temperature dependence of the diffusion coefficient of nanoparticles in gases has been experimentally studied. It is established that this dependence significantly differs from that predicted by various correlations, in particular, by the Cunningham-Millikan-Davies correlation that is used as an instrumental basis for virtually all methods of measurement of the diffusion coefficient in aerosols.
Analytic expressions for ULF wave radiation belt radial diffusion coefficients
Ozeke, Louis G; Mann, Ian R; Murphy, Kyle R; Jonathan Rae, I; Milling, David K
2014-01-01
We present analytic expressions for ULF wave-derived radiation belt radial diffusion coefficients, as a function of L and Kp, which can easily be incorporated into global radiation belt transport models. The diffusion coefficients are derived from statistical representations of ULF wave power, electric field power mapped from ground magnetometer data, and compressional magnetic field power from in situ measurements. We show that the overall electric and magnetic diffusion coefficients are to a good approximation both independent of energy. We present example 1-D radial diffusion results from simulations driven by CRRES-observed time-dependent energy spectra at the outer boundary, under the action of radial diffusion driven by the new ULF wave radial diffusion coefficients and with empirical chorus wave loss terms (as a function of energy, Kp and L). There is excellent agreement between the differential flux produced by the 1-D, Kp-driven, radial diffusion model and CRRES observations of differential electron flux at 0.976 MeV—even though the model does not include the effects of local internal acceleration sources. Our results highlight not only the importance of correct specification of radial diffusion coefficients for developing accurate models but also show significant promise for belt specification based on relatively simple models driven by solar wind parameters such as solar wind speed or geomagnetic indices such as Kp. Key Points Analytic expressions for the radial diffusion coefficients are presented The coefficients do not dependent on energy or wave m value The electric field diffusion coefficient dominates over the magnetic PMID:26167440
Improved diffusion coefficients generated from Monte Carlo codes
Herman, B. R.; Forget, B.; Smith, K.; Aviles, B. N.
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)
Cosmic-ray diffusion coefficient in interplanetary space.
NASA Technical Reports Server (NTRS)
Gleeson, L. J.; Urch, I. H.
1972-01-01
The authors of three recent papers reporting cosmic-ray electron differential intensities near the earth during 1966 and 1968 in the rigidity range above 500 MV have concluded that the observations are not compatible with a diffusion coefficient that can be written as a product of a rigidity-dependent part and a part that is a function of heliocentric distance. It is shown in this paper that, with an interstellar electron spectrum and a near-earth spectrum given, a diffusion coefficient of the above form can always be determinedand the conclusion noted above cannot be sustained. Diffusion coefficients appropriate to the observations are given.
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.
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.
Red Cell Membrane Permeability Deduced from Bulk Diffusion Coefficients
Redwood, W. R.; Rall, E.; Perl, W.
1974-01-01
The permeability coefficients of dog red cell membrane to tritiated water and to a series of[14C]amides have been deduced from bulk diffusion measurements through a "tissue" composed of packed red cells. Red cells were packed by centrifugation inside polyethylene tubing. The red cell column was pulsed at one end with radiolabeled solute and diffusion was allowed to proceed for several hours. The distribution of radioactivity along the red cell column was measured by sequential slicing and counting, and the diffusion coefficient was determined by a simple plotting technique, assuming a one-dimensional diffusional model. In order to derive the red cell membrane permeability coefficient from the bulk diffusion coefficient, the red cells were assumed to be packed in a regular manner approximating closely spaced parallelopipeds. The local steady-state diffusional flux was idealized as a one-dimensional intracellular pathway in parallel with a one-dimensional extracellular pathway with solute exchange occurring within the series pathway and between the pathways. The diffusion coefficients in the intracellular and extracellular pathways were estimated from bulk diffusion measurements through concentrated hemoglobin solutions and plasma, respectively; while the volume of the extracellular pathway was determined using radiolabeled sucrose. The membrane permeability coefficients were in satisfactory agreement with the data of Sha'afi, R. I., C. M. Gary-Bobo, and A. K. Solomon (1971. J. Gen. Physiol. 58:238) obtained by a rapid-reaction technique. The method is simple and particularly well suited for rapidly permeating solutes. PMID:4443795
Solutal diffusion coefficient for liquid PbTe-SnTe
NASA Technical Reports Server (NTRS)
Clark, I. O.; Fripp, A. L.; Debnam, W. J., Jr.; Crouch, R. K.; Brewer, W. D.
1983-01-01
The solutal diffusion coefficient has been determined for liquid lead telluride-tin telluride using a modified shear cell technique. Postdiffusion concentration profiles are presented for several diffusion couples. The best analytical curve fit to the data gives a composition-dependent diffusion coefficient of (/3/7/ to the C power) x 0.00014 sq cm/sec, where C is the PbTe concentration. In addition, data are presented to show the importance of solutal convection in the lead-tin-telluride system.
Calculation of self-diffusion coefficients in iron
Zhang, Baohua
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 (α, δ, γ and ε 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.
Limits on ion radial diffusion coefficients in Saturn's inner magnetosphere
NASA Technical Reports Server (NTRS)
Paonessa, M.; Cheng, A. F.
1986-01-01
The development of upper and lower limits for the rate of radial diffusion of energetic ions in Saturn's inner magnetosphere is discussed. Improved calculations of the satellite-sweeping rate and phase space density profiles for a wide range of ion invariants are utilized to determine the limits. The lower limit for the radial diffusion coefficient is established by requiring the rate of inward diffusion to be large enough to balance satellite sweeping losses; the upper limit is obtained by requiring the rate of inward diffusion to be less than the observable ultraviolet aurora on plasma torus L shell. It is concluded that the radial diffusion coefficient for ions in Saturn's inner magnetosphere is calculated to about two orders of magnitude.
Diffusion and viscosity coefficients for helium. [in astrophysical gas mixtures
NASA Technical Reports Server (NTRS)
Roussel-Dupre, R.
1982-01-01
The first order Boltzmann-Fokker-Planck equation is solved numerically to obtain diffusion and viscosity coefficients for a ternary gas mixture composed of electron, protons, and helium. The coefficients are tabulated for five He/H abundances ranging from 0.01 to 10 and for both He II and He III. Comparison with Burgers's thermal diffusion coefficients reveals a maximum difference of 9-10% for both He II and He III throughout the range of helium abundances considered. The viscosity coefficients are compared to those of Chapman and Cowling and show a maximum difference of only 5-6% for He II but 15-16% for He III. For the astrophysically important gas mixtures, it is concluded that the results of existing studies which employed Burgers's or Chapman and Cowling's coefficients will remain substantially unaltered.
Ion diffusion coefficient measurements in nanochannels at various concentrations.
Wang, Junrong; Zhang, Li; Xue, Jianming; Hu, Guoqing
2014-03-01
Diffusion is one of the most fundamental properties of ionic transport in solutions. Here, we present experimental studies and theoretical analysis on the ion diffusion in nanochannels. Based on Fick's second law, we develop a current monitoring method to measure ion diffusion coefficient of high solution concentrations in nanochannels. This method is further extended to the cases at medium and low concentrations. Through monitoring ionic current during diffusion, we obtain diffusion coefficients of potassium chloride solution at different concentrations in nanochannels. These diffusion coefficients within the confined space are close to theirs bulk values. It is also found that the apparent ion diffusion equilibrium in the present experiments is very slow at low concentration, which we attribute to the slow equilibrium of the nanochannel surface charge. Finally, we get a primary acknowledge of the equilibrium rate between the nanochannel surface charge and electrolyte solution. The results in this work have improved the understanding of nanoscale diffusion and nanochannel surface charge and may be useful in nanofluidic applications such as ion-selective transport, energy conversion, and nanopore biosensors. PMID:24803967
Ion diffusion coefficient measurements in nanochannels at various concentrations
Wang, Junrong; Zhang, Li; Xue, Jianming; Hu, Guoqing
2014-01-01
Diffusion is one of the most fundamental properties of ionic transport in solutions. Here, we present experimental studies and theoretical analysis on the ion diffusion in nanochannels. Based on Fick's second law, we develop a current monitoring method to measure ion diffusion coefficient of high solution concentrations in nanochannels. This method is further extended to the cases at medium and low concentrations. Through monitoring ionic current during diffusion, we obtain diffusion coefficients of potassium chloride solution at different concentrations in nanochannels. These diffusion coefficients within the confined space are close to theirs bulk values. It is also found that the apparent ion diffusion equilibrium in the present experiments is very slow at low concentration, which we attribute to the slow equilibrium of the nanochannel surface charge. Finally, we get a primary acknowledge of the equilibrium rate between the nanochannel surface charge and electrolyte solution. The results in this work have improved the understanding of nanoscale diffusion and nanochannel surface charge and may be useful in nanofluidic applications such as ion-selective transport, energy conversion, and nanopore biosensors. PMID:24803967
The single-valued diffusion coefficient for ionic diffusion through porous media
NASA Astrophysics Data System (ADS)
Lorente, Sylvie; Voinitchi, Dorinel; Bégué-Escaffit, Pascale; Bourbon, Xavier
2007-01-01
The current literature on ionic diffusion through porous media teaches that the diffusion coefficient is a complicated function depending on concentration, concentration gradient, and electrical potential gradient. This paper documents how natural diffusion tests and migration tests (electrically enhanced transport) lead to the measurement of a unique diffusion coefficient for a given ionic species and a given material. Natural diffusion tests for chloride and a ceramic of TiO2 were implemented at two different concentration levels. The experiments were designed to emphasize the impact of the membrane potential in the pore solution on the chloride flux. By accounting for the membrane potential it is shown that the chloride diffusion coefficient is unique for a given material. An iterative method based on a numerical model solving the continuity equations and the current law is proposed to determine the diffusion coefficient. The approach is applied with success to published results on a cement-based material. Migration tests were also performed with chloride in a cementitious material, where the chloride transport is enhanced by an external electrical field. The experimental results reveal the competition between diffusion and electrical effects in the case of noncontaminated porous materials. By varying the electrical potential difference it is shown that the flux of chloride varies linearly with the electrical field, meaning that the chloride diffusion coefficient does not depend on the electrical field. The main conclusion is that there is only one chloride diffusion coefficient for a given porous material.
Mutual diffusion coefficients in systems containing the nickel ion
NASA Astrophysics Data System (ADS)
Ribeiro, Ana C. F.; Veríssimo, Luis V. M. M.; Gomes, Joselaine C. S.; Santos, Cecilia I. A. V.; Barros, Marisa C. F.; Lobo, Victor M. M.; Sobral, Abílio J. F. N.; Esteso, Miguel A.; Leaist, Derek G.
2013-04-01
Mutual diffusion coefficients of nickel chloride in water have been measured at 293.15 K and 303.15 K and at concentrations between 0.020 mol dm-3 and 0.100 mol dm-3, using a conductimetric cell. The experimental mutual diffusion coefficients are discussed on the basis of the Onsager-Fuoss model. The equivalent conductances at infinitesimal concentration of the nickel ion in these solutions at those temperatures have been estimated using these results. In addition, from these data, we have estimated some transport and structural parameters, such as limiting diffusion coefficient, ionic conductance at infinitesimal concentration, hydrodynamic radii and activation energy, contributing this way to a better understanding of the structure of these systems and of their thermodynamic behavior in aqueous solution at different concentrations.
Electronic diffusion coefficient for fast-ion dechanneling
NASA Astrophysics Data System (ADS)
Nitta, H.; Ohtsuki, Y. H.; Kubo, K.
1986-12-01
A new local electronic diffusion coefficient for fast-ion dechanneling is derived on the basis of the fundamental method. To reveal detailed effects of electron states, numerical calculations are performed with use of the Roothaan-Hartree-Fock atomic wave functions. It is found that the Lindhard's formula of the electronic diffusion coefficient, which is proportional to the local electron density, is only a simple approximation of our rigorous formula and that this ``local-density approximation'' is not always sufficient, especially for metal targets.
Electronic diffusion coefficient for fast-ion dechanneling
Nitta, H.; Ohtsuki, Y.H.; Kubo, K.
1986-12-01
A new local electronic diffusion coefficient for fast-ion dechanneling is derived on the basis of the fundamental method. To reveal detailed effects of electron states, numerical calculations are performed with use of the Roothaan-Hartree-Fock atomic wave functions. It is found that the Lindhard's formula of the electronic diffusion coefficient, which is proportional to the local electron density, is only a simple approximation of our rigorous formula and that this ''local-density approximation'' is not always sufficient, especially for metal targets.
SHETTY, ANIL N.; CHIANG, SHARON; MALETIC-SAVATIC, MIRJANA; KASPRIAN, GREGOR; VANNUCCI, MARINA; LEE, WESLEY
2016-01-01
In this article, we discuss the theoretical background for diffusion weighted imaging and diffusion tensor imaging. Molecular diffusion is a random process involving thermal Brownian motion. In biological tissues, the underlying microstructures restrict the diffusion of water molecules, making diffusion directionally dependent. Water diffusion in tissue is mathematically characterized by the diffusion tensor, the elements of which contain information about the magnitude and direction of diffusion and is a function of the coordinate system. Thus, it is possible to generate contrast in tissue based primarily on diffusion effects. Expressing diffusion in terms of the measured diffusion coefficient (eigenvalue) in any one direction can lead to errors. Nowhere is this more evident than in white matter, due to the preferential orientation of myelin fibers. The directional dependency is removed by diagonalization of the diffusion tensor, which then yields a set of three eigenvalues and eigenvectors, representing the magnitude and direction of the three orthogonal axes of the diffusion ellipsoid, respectively. For example, the eigenvalue corresponding to the eigenvector along the long axis of the fiber corresponds qualitatively to diffusion with least restriction. Determination of the principal values of the diffusion tensor and various anisotropic indices provides structural information. We review the use of diffusion measurements using the modified Stejskal–Tanner diffusion equation. The anisotropy is analyzed by decomposing the diffusion tensor based on symmetrical properties describing the geometry of diffusion tensor. We further describe diffusion tensor properties in visualizing fiber tract organization of the human brain. PMID:27441031
Minimum Error Fickian Diffusion Coefficients for Mass Diffusion in Multicomponent Gas Mixtures
NASA Astrophysics Data System (ADS)
Subramaniam, S.
1999-04-01
Mass diffusion in multicomponent gas mixtures is governed by a coupled system of linear equations for the diffusive mass fluxes in terms of thermodynamic driving forces, known as the generalized Stefan-Maxwell equation. In computations of mass diffusion in multicomponent gas mixtures, this coupling between the different components results in considerable computational overhead. Consequently, simplified diffusion models for the diffusive mass fluxes as explicit functions of the driving forces are an attractive alternative. These models can be interpreted as an approximate solution to the Stefan-Maxwell equation. Simplified diffusion models require the specification of “effective” diffusion coefficients which are usually expressed as functions of the binary diffusion coefficients of each species pair in the mixture. Current models for the effective diffusion coefficients are incapable of providing
An ion-beam technique for measuring surface diffusion coefficients
NASA Astrophysics Data System (ADS)
DeLuca, P. M.; Labanda, J. G. C.; Barnett, S. A.
1999-03-01
The effective surface diffusion coefficient of Ga along the [110] direction on vicinal GaAs(001)2×4 surfaces during molecular-beam epitaxy was measured using specular ion current measurements. In this technique, 3 keV Ar ions were impinged upon the surface at a glancing angle (typically 3°), and the specularly scattered ion current was measured. Since specular reflections require a locally flat surface, adatoms cause a decrease in the measured current, allowing an average adatom density measurement. The time dependence of the Ga adatom population was measured during and after Ga deposition. Diffusion coefficients, obtained from the adatom lifetimes using a simple model of diffusion to the step edges, were fit well by the expression D=2×10-9 exp(-0.73 eV/kT)cm2/s from 400 to 600 °C.
Not Available
1992-09-01
An aerial radiological survey was conducted from July 11--20, 1990, over an 83-square-kilometer (32-square-mile) area surrounding the Portsmouth Gaseous Diffusion Plant located near Portsmouth, Ohio. The survey was conducted at a nominal altitude of 91 meters (300 feet) with line spacings of 122 meters (400 feet). A contour map of the terrestrial gamma exposure rate extrapolated to 1 meter above ground level (AGL) was prepared and overlaid on an aerial photograph and a set of United States Geological Survey (USGS) topographic maps of the area. The terrestrial exposure rates varied from about 7 to 14 microroentgens per hour ([mu]R/h) at 1 meter above the ground. Analysis of the data for man-made sources and for the uranium decay product, protactinium-234m ([sup 234m]Pa), showed five sites within the boundaries of the Portsmouth Gaseous Diffusion Plant with elevated readings. Spectra obtained in the vicinity of the buildings at the Portsmouth Gaseous Diffusion Plant showed the presence of [sup 234m]Pa, a uranium-238 ([sup 238]U) decay product. In addition, spectral analysis of the data obtained over the processing plant facility showed gamma activity indicative of uranium-235 ([sup 234]U). No other man-made gamma ray emitting radioactive material was detected, either on or off the Portsmouth Gaseous Diffusion Plant property. Soil samples and pressurized ion chamber measurements were obtained at five different locations within the survey boundlaries to support the aerial data.
Johnson, Robert L
2008-04-03
This activity was undertaken to demonstrate the applicability of market-available XRF instruments to quantify metal concentrations relative to background and risk-based action and no action levels in Paducah Gaseous Diffusion Plant (PGDP) soils. As such, the analysis below demonstrates the capabilities of the instruments relative to soil characterization applications at the PGDP.
D&D of the French High Enrichment Gaseous Diffusion Plant
BEHAR, Christophe; GUIBERTEAU, Philippe; DUPERRET, Bernard; TAUZIN, Claude
2003-02-27
This paper describes the D&D program that is being implemented at France's High Enrichment Gaseous Diffusion Plant, which was designed to supply France's Military with Highly Enriched Uranium. This plant was definitively shut down in June 1996, following French President Jacques Chirac's decision to end production of Highly Enriched Uranium and dismantle the corresponding facilities.
78 FR 65389 - United States Enrichment Corporation, Paducah Gaseous Diffusion Plant
Federal Register 2010, 2011, 2012, 2013, 2014
2013-10-31
... COMMISSION United States Enrichment Corporation, Paducah Gaseous Diffusion Plant AGENCY: Nuclear Regulatory... review. SUMMARY: On April 2, 2013, the United States Enrichment Corporation (USEC) filed an application... for a 5-year period with an expiration date of December 31, 2018. On May 22, 2013 (78 FR 30342),...
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.
Limits on ion radial diffusion coefficients in Saturn's inner magnetosphere
NASA Astrophysics Data System (ADS)
Paonessa, M.; Cheng, A. F.
1986-02-01
Voyager low energy charged particle (LECP) ion phase space densities at constant first and second adiabatic invariants have been used to place limits on the rate of radial diffusion of energetic ions (30 keV to 1 MeV) in Saturn's inner magnetosphere. Upper and lower limits to the radial diffusion coefficient, DLL, are deduced from physical requirements on the rates of diffusion and loss. If DLL is near the lower limit found in this work, then satellite sweeping accounts for a large fraction of the total ion losses. If DLL is near the upper limit, then ion losses can approach 10% of the strong diffusion rate. In this case, ion losses are dominated by wave-particle interactions, and sweeping losses are relatively unimportant.
Estimating The Sodium Ion Diffusion Coefficient in Rat Brain
NASA Astrophysics Data System (ADS)
Goodman, James A.; Bretthorst, G. Larry; Kroenke, Christopher D.; Ackerman, Joseph J. H.; Neil, Jeffrey J.
2004-04-01
Quantifying sodium ion diffusion in the extra- and intracellular compartments will provide mechanistic insight into the as yet unexplained marked decrease in water diffusion resulting from central nervous system injury. As a first step, the apparent diffusion coefficient (ADC) of bulk brain Na+ has been determined in vivo in rat. A surface coil transmit/receive adiabatic-pulse scheme is used to provide two dimensions of volume localization, thus minimizing echo time. The third dimension is determined by slice selection gradients on the axis perpendicular to the coil plane. Signal decay in the presence of diffusion sensitizing pulsed field gradients was modeled by Bayesian Probability Theory. Preliminary findings indicate a bulk Na+ ADC of (1.16 ± .07) × 10-3 mm2/s.
Determination of diffusion coefficient in disordered organic semiconductors
NASA Astrophysics Data System (ADS)
Rani, Varsha; Sharma, Akanksha; Ghosh, Subhasis
2016-05-01
Charge carrier transport in organic semiconductors is dominated by positional and energetic disorder in Gaussian density of states (GDOS) and is characterized by hopping through localized states. Due to the immobilization of charge carriers in these localized states, significant non-uniform carrier distribution exists, resulting diffusive transport. A simple, nevertheless powerful technique to determine diffusion coefficient D in disordered organic semiconductors has been presented. Diffusion coefficients of charge carriers in two technologically important organic molecular semiconductors, Pentacene and copper phthalocyanine (CuPc) have been measured from current-voltage (J-V) characteristics of Al/Pentacene/Au and Al/CuPc/Au based Schottky diodes. Ideality factor g and carrier mobility μ have been calculated from the exponential and space charge limited region respectively of J-V characteristics. Classical Einstein relation is not valid in organic semiconductors due to energetic disorders in DOS. Using generalized Einstein relation, diffusion coefficients have been obtained to be 1.31×10-6 and 1.73×10-7 cm2/s for Pentacene and CuPc respectively.
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.
Measurement of diffusion coefficients from solution rates of bubbles
NASA Technical Reports Server (NTRS)
Krieger, I. M.
1979-01-01
The rate of solution of a stationary bubble is limited by the diffusion of dissolved gas molecules away from the bubble surface. Diffusion coefficients computed from measured rates of solution give mean values higher than accepted literature values, with standard errors as high as 10% for a single observation. Better accuracy is achieved with sparingly soluble gases, small bubbles, and highly viscous liquids. Accuracy correlates with the Grashof number, indicating that free convection is the major source of error. Accuracy should, therefore, be greatly increased in a gravity-free environment. The fact that the bubble will need no support is an additional important advantage of Spacelab for this measurement.
Radiative Extinction of Gaseous Spherical Diffusion Flames in Microgravity
NASA Technical Reports Server (NTRS)
Santa, K. J.; Chao, B. H.; Sunderland, P. B.; Urban, D. L.; Stocker, D. P.; Axelbaum, R. L.
2007-01-01
Radiative extinction of spherical diffusion flames was investigated experimentally and numerically. The experiments involved microgravity spherical diffusion flames burning ethylene and propane at 0.98 bar. Both normal (fuel flowing into oxidizer) and inverse (oxidizer flowing into fuel) flames were studied, with nitrogen supplied to either the fuel or the oxygen. Flame conditions were chosen to ensure that the flames extinguished within the 2.2 s of available test time; thus extinction occurred during unsteady flame conditions. Diagnostics included color video and thin-filament pyrometry. The computations, which simulated flow from a porous sphere into a quiescent environment, included detailed chemistry, transport and radiation, and yielded transient results. Radiative extinction was observed experimentally and simulated numerically. Extinction time, peak temperature, and radiative loss fraction were found to be independent of flow rate except at very low flow rates. Radiative heat loss was dominated by the combustion products downstream of the flame and was found to scale with flame surface area, not volume. For large transient flames the heat release rate also scaled with surface area and thus the radiative loss fraction was largely independent of flow rate. Peak temperatures at extinction onset were about 1100 K, which is significantly lower than for kinetic extinction. One observation of this work is that while radiative heat losses can drive transient extinction, this is not because radiative losses are increasing with time (flame size) but rather because the heat release rate is falling off as the temperature drops.
Long-range global warming impact of gaseous diffusion plant operation
Trowbridge, L.D.
1992-09-01
The DOE gaseous diffusion plant complex makes extensive use of CFC-114 as a primary coolant. As this material is on the Montreal Protocol list of materials scheduled for production curtailment, a substitute must be found. In addition to physical cooling properties, the gaseous diffusion application imposes the unique requirement of chemical inertness to fluorinating agents. This has narrowed the selection of a near-term substitute to two fully fluorinated material, FC-318 and FC-3110, which are likely to be strong, long-lived greenhouse gases. In this document, calculations are presented showing, for a number of plausible scenarios of diffusion plant operation and coolant replacement strategy, the future course of coolant use, greenhouse gas emissions (including coolant and power-related indirect CO{sub 2} emissions), and the consequent global temperature impacts of these scenarios.
Measurement of electron longitudinal diffusion coefficient in liquid argon
NASA Astrophysics Data System (ADS)
Li, Yichen; Tang, Wei; Qian, Xin
2016-03-01
The electron longitudinal diffusion coefficients in Liquid Argon (LAr) are measured for a range of electric fields from 0.05 to 2.0 kV/cm up to a maximum drift distance of 120 mm using the two experimental setups at BNL. The measurement principle, apparatus, and data analysis are described. Our result represents the world's best measurement of electron longitudinal coefficients in this range. The measured longitudinal diffusion results are directly applicable to the existing experiments such as MicroBooNE and are essential for the future LAr based experiment detector design such as SBN and DUNE. We also report the performance of the gas purification system, which is important for the design of the purification system of future large LArTPCs.
Ion beam technique for the measurement of deuterium diffusion coefficients
Lewis, M.B.; Farrell, K.
1980-05-15
This letter describes how a combination of the techniques of nuclear microanalysis and cathodic hydrogenation has been used to determine the diffusion coefficient of dueterium in austenitic stainless steel at room temperature. Samples charged in deuterated acid solutions to levels of about 20 at. % deuterium were quickly transferred to a scattering chamber where a depth profile of the near-surface deuterium was measured. For charging times much longer than the transfer plus anlyzing time, the deuterium profile could be described by an error function at the specimen surface. A diffusion coefficient was determined by a chi-squared test fitting procedure and shown to be consistent with values reported for other methods measured at higher temperatures.
Diffusion coefficients for three major ions in the topside ionosphere
NASA Astrophysics Data System (ADS)
Quegan, S.; Bailey, G. J.; Moffett, R. J.
1981-08-01
Published experimental data on ion composition in the topside ionosphere are examined. For certain features (the light ion trough, the high-latitude trough, the high-latitude hole and the mid-latitude total ion concentration trough) it is pointed out that the number of major ions present may be three or more. Transport equations derived by Schunk et al. (1975, 1977, 1979) are extended to include the case of the three major ions in the topside ionosphere. Specific calculations are made for the O(+), H(+) and He(+) ions and the behavior of the diffusion coefficients is discussed. From a model of the high-latitude ionization hole, described by Heelis et al. (1981), representative concentration and temperature profiles are obtained. These profiles are used to demonstrate further the behavior of the ion diffusion coefficients.
Water sorption and diffusion coefficient through an experimental dental resin.
Costella, A M; Trochmann, J L; Oliveira, W S
2010-01-01
Polymeric composites have been widely used as dental restorative materials. A fundamental knowledge and understanding of the behavior of these materials in the oral cavity is essential to improve their properties and performance. In this paper we computed the data set of water absorption through an experimental dental resin blend using specimen discs of different thicknesses to estimate the diffusion coefficient. The resins were produced using Bisphenol A glycol dimethacrylate, Bisphenol A ethoxylated dimethacrylate and Triethylene glycol dimethacrylate monomers. The water sorption test method was based on International Standard ISO 4049 "Dentistry-Polymer-based filling materials". Results show a diffusion coefficient around 6.38 x 10(-8) cm(2)/s, within a variance of 0.01%, which is in good agreement with the values reported in the literature and represents a very suitable value.
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
Takeda, M; Hiratsuka, T; Ito, K; Finsterle, S
2011-04-25
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
Takeda, M; Hiratsuka, T; Ito, K; Finsterle, S
2011-04-25
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
Singhal, M.K.; Kincaid, J.H.; Hammond, C.R.; Stockdale, B.I.; Walls, J.C.; Brock, W.R.; Denton, D.R.
1995-12-31
In support of the Gaseous Diffusion Plant Safety Analysis Report Upgrade program (GDP SARUP), a natural phenomena hazards evaluation was performed for the main process equipment and piping in the uranium enrichment buildings at Paducah and Portsmouth gaseous diffusion plants. In order to reduce the cost of rigorous analyses, the evaluation methodology utilized a graded approach based on an experience data base collected by SQUG/EPRI that contains information on the performance of industrial equipment and piping during past earthquakes. This method consisted of a screening walkthrough of the facility in combination with the use of engineering judgment and simple calculations. By using these screenings combined with evaluations that contain decreasing conservatism, reductions in the time and cost of the analyses were significant. A team of experienced seismic engineers who were trained in the use of the DOE SQUG/EPRI Walkdown Screening Material was essential to the success of this natural phenomena hazards evaluation.
Kalwarf, D.R.; Nielson, K.K.; Rich, D.C.; Rogers, V.C.
1982-11-01
A method was developed and used to determine radon diffusion coefficients in compacted soils by transient-diffusion measurements. A relative standard deviation of 12% was observed in repeated measurements with a dry soil by the transient-diffusion method, and a 40% uncertainty was determined for moistures exceeding 50% of saturation. Excellent agreement was also obtained between values of the diffusion coefficient for radon in air, as measured by the transient-diffusion method, and those in the published literature. Good agreement was also obtained with diffusion coefficients measured by a steady-state method on the same soils. The agreement was best at low moistures, averaging less than ten percent difference, but differences of up to a factor of two were observed at high moistures. The comparison of the transient-diffusion and steady-state methods at low moistures provides an excellent verification of the theoretical validity and technical accuracy of these approaches, which are based on completely independent experimental conditions, measurement methods and mathematical interpretations.
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.
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
Estimation of glucose diffusion coefficient in scleral tissue
NASA Astrophysics Data System (ADS)
Bashkatov, Alexey N.; Genina, Elina A.; Sinichkin, Yurii P.; Lakodina, Nina A.; Kochubey, Vyacheslav I.; Tuchin, Valery V.
2000-04-01
Results of experimental and theoretical study of the optical properties of the eye sclera controlled by administration of osmotically active chemical, such as glucose, are presented. Glucose administration induces the diffusion of matter and as a result the equalization of the refractive indices of collagen fibrils and base material, and corresponding changes of transmittance spectra of scleral tissue. Transmittance spectra of the human scleral samples impregnated by glucose were measured. The significant increase of transmittance under action of osmotic liquid was observed. The diffusion coefficient of glucose within scleral tissue was estimated; the average value is 3.45 X 10-6 +/- 4.59 X 10-7 cm2/sec. The results are general and can be used to describe many other fibrous tissues impregnated by osmotically active chemical agents.
Hydrogen ion diffusion coefficient of silicon nitride thin films
NASA Astrophysics Data System (ADS)
Yu, George T.; Yen, S. K.
2002-12-01
Hydrogen ion diffusion in silicon nitride thin film is of significant interest because of its importance in barrier, sensor and catalytic coating applications. In this study, a novel method based on potential-pH response measurement was used to determine hydrogen ion diffusion in silicon nitride thin films. Hydrogen ion diffusion coefficient in silicon nitride films obtained from this method was 1×10 -19 cm 2/s. A potential-pH response drift was observed and is believed to be due to the presence of a hydrated layer affecting the hydrogen ion diffusion onto the nitride film of the Si 3N 4-gate hydrogen ion-sensitive field effect transistors (ISFETs). The unique feature of the potential-pH response method is its relatively simple experimental procedure, which eliminates complications arising from surface-related effects and/or presence of hydrogen traps in membrane, such as those found in the conventional permeation method. The method also offers a considerable test time reduction, with the experiment being completed in 10 h as compared to the conventional electrochemical permeation method which takes as long as 5 days.
Determination of the lithium ion diffusion coefficient in graphite
Yu, P.; Popov, B.N.; Ritter, J.A.; White, R.E.
1999-01-01
A complex impedance model for spherical particles was used to determine the lithium ion diffusion coefficient in graphite as a function of the state of charge (SOC) and temperature. The values obtained range from 1.12 {times} 10{sup {minus}10} to 6.51 {times} 10{sup {minus}11} cm{sup 2}/s at 25 C for 0 and 30% SOC, respectively, and for 0% SOC, the value at 55 C was 1.35 {times} 10{sup {minus}10} cm{sup 2}/s. The conventional potentiostatic intermittent titration technique (PITT) and Warburg impedance approaches were also evaluated, and the advantages and disadvantages of these techniques were exposed.
Tracer diffusion coefficients in a sheared inelastic Maxwell gas
NASA Astrophysics Data System (ADS)
Garzó, Vicente; Trizac, Emmanuel
2016-07-01
We study the transport properties of an impurity in a sheared granular gas, in the framework of the Boltzmann equation for inelastic Maxwell models. We investigate here the impact of a nonequilibrium phase transition found in such systems, where the tracer species carries a finite fraction of the total kinetic energy (ordered phase). To this end, the diffusion coefficients are first obtained for a granular binary mixture in spatially inhomogeneous states close to the simple shear flow. In this situation, the set of coupled Boltzmann equations are solved by means of a Chapman-Enskog-like expansion around the (local) shear flow distributions for each species, thereby retaining all the hydrodynamic orders in the shear rate a. Due to the anisotropy induced by the shear flow, three tensorial quantities D ij , D p,ij , and D T,ij are required to describe the mass transport process instead of the conventional scalar coefficients. These tensors are given in terms of the solutions of a set of coupled algebraic equations, which can be exactly solved as functions of the shear rate a, the coefficients of restitution {αsr} and the parameters of the mixture (masses and composition). Once the forms of D ij , D p,ij , and D T,ij are obtained for arbitrary mole fraction {{x}1}={{n}1}/≤ft({{n}1}+{{n}2}\\right) (where n r is the number density of species r), the tracer limit ({{x}1}\\to 0 ) is carefully considered for the above three diffusion tensors. Explicit forms for these coefficients are derived showing that their shear rate dependence is significantly affected by the order-disorder transition.
Stevens, J.L.; Miller, JA.
2006-07-01
This paper describes the challenges and lessons learned from the demobilization of the world' largest, and first, successfully decontaminated and decommissioned project. These gaseous diffusion plants are the first plants to be successfully decommissioned in the United States. (authors)
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.
Perrino, C; Catrambone, M; Esposito, G; Lahav, D; Mamane, Y
2009-05-01
A field study aimed to characterize atmospheric pollutants in the gaseous and the particulate phases was conducted during the fall-winter of 2004 and the summer of 2005 in the Ashdod area, Israel. The site is influenced by both anthropogenic sources (power plants, refineries, chemical and metal industries, a cargo port, road traffic) and natural sources (sea-spray and desert dust). The use of diffusion lines--a series of annular diffusion denuders for sampling gaseous compounds followed by a cyclone and a filter pack for determining PM(2.5) composition--allowed a good daily characterization of the main inorganic compounds in both the gaseous (HCl, HNO(3), SO(2), NH(3)) and the particulate phase (Cl(-), NO(3)(-), SO(4)(=), NH(4)(+), and base cations). During the summer campaign two other activities were added: an intensive 3-h sampling period and the determination of PM(2.5) bulk composition. The results were interpreted on the basis of meteorological condition, especially the mixing properties of the lower atmosphere as determined by monitoring the natural radioactivity due to Radon progeny, a good proxy of the atmospheric ability to dilute pollutants. Several pollution episodes were identified and the predominance of different sources was highlighted (sea-spray, desert dust, secondary photochemical pollutants). During the summer period a considerable increase of nitric acid and particulate sulphate was observed. Secondary inorganic pollutants (nitrate, sulphate and ammonium) constituted, on the average, 57% of the fine particle fraction, organic compounds 20%, primary anthropogenic compounds 14%, natural components (sea-spray and crustal elements) 9%. The advantages of the diffusion lines in determining gaseous and particulate N- and S- inorganic compounds are discussed. PMID:18535917
Perrino, C; Catrambone, M; Esposito, G; Lahav, D; Mamane, Y
2009-05-01
A field study aimed to characterize atmospheric pollutants in the gaseous and the particulate phases was conducted during the fall-winter of 2004 and the summer of 2005 in the Ashdod area, Israel. The site is influenced by both anthropogenic sources (power plants, refineries, chemical and metal industries, a cargo port, road traffic) and natural sources (sea-spray and desert dust). The use of diffusion lines--a series of annular diffusion denuders for sampling gaseous compounds followed by a cyclone and a filter pack for determining PM(2.5) composition--allowed a good daily characterization of the main inorganic compounds in both the gaseous (HCl, HNO(3), SO(2), NH(3)) and the particulate phase (Cl(-), NO(3)(-), SO(4)(=), NH(4)(+), and base cations). During the summer campaign two other activities were added: an intensive 3-h sampling period and the determination of PM(2.5) bulk composition. The results were interpreted on the basis of meteorological condition, especially the mixing properties of the lower atmosphere as determined by monitoring the natural radioactivity due to Radon progeny, a good proxy of the atmospheric ability to dilute pollutants. Several pollution episodes were identified and the predominance of different sources was highlighted (sea-spray, desert dust, secondary photochemical pollutants). During the summer period a considerable increase of nitric acid and particulate sulphate was observed. Secondary inorganic pollutants (nitrate, sulphate and ammonium) constituted, on the average, 57% of the fine particle fraction, organic compounds 20%, primary anthropogenic compounds 14%, natural components (sea-spray and crustal elements) 9%. The advantages of the diffusion lines in determining gaseous and particulate N- and S- inorganic compounds are discussed.
NASA Astrophysics Data System (ADS)
Renganathan, Sindhuja; White, Ralph E.
A semianalytical methodology based on the integral transform technique is proposed to solve the diffusion equation with concentration dependent diffusion coefficient in a spherical intercalation electrode particle. The method makes use of an integral transform pair to transform the nonlinear partial differential equation into a set of ordinary differential equations, which is solved with less computational efforts. A general solution procedure is presented and two illustrative examples are used to demonstrate the usefulness of this method for modeling of diffusion process in lithium ion battery electrode. The solutions obtained using the method presented in this study are compared to the numerical solutions.
Comparison Actin- and Glass-Supported Phospholipid Bilayer Diffusion Coefficients
Sterling, Sarah M.; Dawes, Ryan; Allgeyer, Edward S.; Ashworth, Sharon L.; Neivandt, David J.
2015-01-01
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
Xing, D; Papadakis, N G; Huang, C L; Lee, V M; Carpenter, T A; Hall, L D
1997-01-01
This work studies the effect of diffusion-weighting on the precision of measurements of the apparent diffusion coefficient (ADC, or D) by diffusion-weighted magnetic resonance imaging. The precision in the value of the ADC was described in terms of a diffusion-to-noise ratio (DNR) which was calculated as the signal-to-noise ratio in the resultant ADC. A theoretical analysis decomposed the DNR into the signal-to-noise ratio in the diffusion-weighted image and the sensitivity of diffusion-weighting, "KD". The latter reflects the effect of the sampling strategy in the diffusion-weighting domain on the DNR. The theoretical analysis demonstrated that optimal two-point diffusion-weighting could be achieved in the vicinity of zeta = D(b2-b1) = 1.1, where zeta is a non-dimensional parameter of diffusion-weighting, and b1 and b2 are the diffusion-weighting factors for the two-point diffusion-weighting. This approach also derived an optimised signal averaging scheme. The limitations and restrictions of the two-point scheme for in vivo ADC measurement were also considered; these included a detailed discussion on partial volume effects. The theory was verified by experiments on phantoms and on the brain of a healthy volunteer using a diffusion-weighted echo-planar imaging protocol. This led to an optimal two-point diffusion-weighting for ADC measurement in human brain using b1 = 300, and b2 = 1550 +/- 100 s/mm2. Such a two-point scheme successfully measured values of the ADC in gray matter, white matter and cerebrospinal fluid in human brain. It thus offers an alternative to the commonly used multiple-point schemes and has the advantage of requiring significantly shorter imaging times.
Calculation of combined diffusion coefficients in SF{sub 6}-Cu mixtures
Zhong, Linlin; Wang, Xiaohua Rong, Mingzhe Wu, Yi; Murphy, Anthony B.
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.
NASA Technical Reports Server (NTRS)
Weinstein, H.; Lavan, Z.
1975-01-01
Analytical investigations of fluid dynamics problems of relevance to the gaseous core nuclear reactor program are presented. The vortex type flow which appears in the nuclear light bulb concept is analyzed along with the fluid flow in the fuel inlet region for the coaxial flow gaseous core nuclear reactor concept. The development of numerical methods for the solution of the Navier-Stokes equations for appropriate geometries is extended to the case of rotating flows and almost completes the gas core program requirements in this area. The investigations demonstrate that the conceptual design of the coaxial flow reactor needs further development.
Reconstruction of two constant coefficients in linear anisotropic diffusion model
NASA Astrophysics Data System (ADS)
Mola, Gianluca; Okazawa, Noboru; Yokota, Tomomi
2016-11-01
Let (H,< \\cdot ,\\cdot > ) be a complex Hilbert space and A:D(A)\\to H and B:D(B)\\to H be nonnegative and selfadjoint operators. We study the inverse problem consisting in the identification of the function u:[0,T]\\to H and two constants α, β \\in {{{R}}}+=(0,∞ ) (diffusion coefficients) that fulfill the initial-value problem u ‧ ( t ) + α Au ( t ) + β Bu ( t ) = 0 , t ∈ ( 0 , T ) , u ( 0 ) = x , and the additional conditions < Au ( T ) , u ( T ) > = φ and < Bu ( T ) , u ( T ) > = ψ . Under suitable assumptions on the operators A and B, and on the data x\\in H and \\varphi ,\\psi \\gt 0, we shall construct a solution and prove its uniqueness and continuous dependence on the data. Applications are considered.
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 coefficient of hydrogen in a cast gamma titanium aluminide
Sundaram, P.A.; Wessel, E.; Ennis, P.J.; Quadakkers, W.J.; Singheiser, L.
1999-06-04
Gamma titanium aluminides have the potential for high temperature applications because of their high specific strength and specific modulus. Their oxidation resistance is good, especially at intermediate temperatures and with suitable alloying additions, good oxidation resistance can be obtained up to 800 C. One critical area of application is in combustion engines in aero-space vehicles such as hypersonic airplanes and high speed civil transport airplanes. This entails the use of hydrogen as a fuel component and hence the effect of hydrogen on the mechanical properties of gamma titanium aluminides is of significant scientific and technological utility. The purpose of this short investigation is to use an electrochemical method under galvanostatic conditions to determine the diffusion coefficient of hydrogen in a cast gamma titanium aluminide, a typical technical alloy with potential application in gas turbines under creep conditions. This result will be then compared with that obtained by microhardness profiling of electrolytically hydrogen precharged material.
Bundy, R.D.; Munday, E.B.
1991-01-01
Construction of the gaseous diffusion plants (GDPs) was begun during World War 2 to produce enriched uranium for defense purposes. These plants, which utilized UF{sub 6} gas, were used primarily for this purpose through 1964. From 1959 through 1968, production shifted primarily to uranium enrichment to supply the nuclear power industry. Additional UF{sub 6}-handling facilities were built in feed and fuel-processing plants associated with the uranium enrichment process. Two of the five process buildings at Oak ridge were shut down in 1964. Uranium enrichment activities at Oak Ridge were discontinued altogether in 1985. In 1987, the Department of Energy (DOE) decided to proceed with a permanent shutdown of the Oak Ridge Gaseous Diffusion Plant (ORGDP). DOE intends to begin decommissioning and decontamination (D D) of ORGDP early in the next century. The remaining two GDPs are expected to be shut down during the next 10 to 40 years and will also require D D, as will the other UF{sub 6}-handling facilities. This paper presents an investigation of gas- phase decontamination of internally radioactively contaminated gaseous diffusion process equipment and piping using powerful fluorinating reagents that convert nonvolatile uranium compounds to volatile UF{sub 6}. These reagents include ClF{sub 3}, F{sub 2}, and other compounds. The scope of D D at the GDPs, previous work of gas-phase decontamination, four concepts for using gas-phase decontamination, plans for further study of gas-phase decontamination, and the current status of this work are discussed. 13 refs., 15 figs.
Sheaffer, M.K.; Keeton, S.C.; Lutz, H.F.
1995-06-01
This report evaluates nuclear criticality safety for large cylinder cleaning operations in the Decontamination and Recovery Facility, X-705, at the Portsmouth Gaseous Diffusion Plant. A general description of current cleaning procedures and required hardware/equipment is presented, and documentation for large cylinder cleaning operations is identified and described. Control parameters, design features, administrative controls, and safety systems relevant to nuclear criticality are discussed individually, followed by an overall assessment based on the Double Contingency Principle. Recommendations for enhanced safety are suggested, and issues for increased efficiency are presented.
Socolof, M.L.; Saylor, R.E.; McCold, L.N.
1994-06-01
The US Department of Energy (DOE) formerly operated two gaseous diffusion plants (GDPs) for enriching uranium and maintained a third shutdown GDP. These plants maintain a large inventory of dichlorotetrafluorethane (CFC-114), a cholorofluorocarbon (CFC), as a coolant. The paper evaluates the global impacts of four alternatives to modify GDP coolant system operations for a three-year period beginning in 1996. Interim modification of GDP coolant system operations has the potential to reduce stratospheric ozone depletion from GDP coolant releases while a permanent solution is studied.
1995-10-01
The US Department of Energy (DOE), Office of Waste Management, proposes to construct and operate a solid waste landfill within the boundary of the Portsmouth Gaseous Diffusion Plant (PORTS), Piketon, Ohio. The purpose of the proposed action is to provide PORTS with additional landfill capacity for non-hazardous and asbestos wastes. The proposed action is needed to support continued operation of PORTS, which generates non-hazardous wastes on a daily basis and asbestos wastes intermittently. Three alternatives are evaluated in this environmental assessment (EA): the proposed action (construction and operation of the X-737 landfill), no-action, and offsite shipment of industrial solid wastes for disposal.
Photoelectric photometry of diffuse gaseous nebulae in the H-alpha line
NASA Astrophysics Data System (ADS)
Vidal, J.-L.
1980-04-01
Results are given of the H-alpha photometry of diffuse gaseous nebulae observed with a nebula photometer attached to the 60-cm reflector of the Pic du Midi Observatory. Isophote maps are given for the following objects: the Orion nebula, the Rosette nebula, IC 410, IC 434 and NGC 2024, and M 8 (NGC 6523); several scans are presented for NGC 6514, NGC 7000, and Barnard's Loop. In cases where the spherical model approximation may be performed, the variation of electron density with radius was determined; for the Rosette nebula a steeper decrease toward the center than previously established was found.
Engle, Mark A.; Olea, Ricardo A.; O'Keefe, Jennifer M. K.; Hower, James C.; Geboy, Nicholas J.
2013-01-01
Coal fires occur in nature spontaneously, contribute to increases in greenhouse gases, and emit atmospheric toxicants. Increasing interest in quantifying coal fire emissions has resulted in the adaptation and development of specialized approaches and adoption of numerical modeling techniques. Overview of these methods for direct estimation of diffuse gas emissions from coal fires is presented in this paper. Here we take advantage of stochastic Gaussian simulation to interpolate CO2 fluxes measured using a dynamic closed chamber at the Ruth Mullins coal fire in Perry County, Kentucky. This approach allows for preparing a map of diffuse gas emissions, one of the two primary ways that gases emanate from coal fires, and establishing the reliability of the study both locally and for the entire fire. Future research directions include continuous and automated sampling to improve quantification of gaseous coal fire emissions.
On the structure of gaseous confined laminar diffusion flames: Numerical investigation
NASA Technical Reports Server (NTRS)
Mawid, M. A.; Bulzan, D. L.; Aggarwal, S. K.
1993-01-01
The structure and characteristics of gaseous confined laminar diffusion flames are investigated by numerically solving the time-dependent two-dimensional axisymmetric conservation equations. The numerical model accounts for the important chemical and physical processes involved, including axial diffusion, viscous effects, radial convection, and finite-rate chemistry. The numerical results clearly show that the flame has a finite thickness and leakage of fuel vapor into the flame zone is possible. The effect of heat release is found to induce some radial flow. Predicted flame shape and dimensions are compared to the classical Burke-Schumann flame. The numerically calculated flame is observed to be about 15 percent taller and 5 percent narrower than that of the Burke-Schumann solution under the same conditions.
1995-09-01
The Background Soils Project for the Paducah Gaseous Diffusion Plant (BSPP) will determine the background concentration levels of selected naturally occurring metals, other inorganics, and radionuclides in soils from uncontaminated areas in proximity to the Paducah Gaseous Diffusion Plant (PGDP) in Paducah, Kentucky. The data will be used for comparison with characterization and compliance data for soils, with significant differences being indicative of contamination. All data collected as part of this project will be in addition to other background databases established for the PGDP. The BSPP will address the variability of surface and near-surface concentration levels with respect to (1) soil taxonomical types (series) and (2) soil sampling depths within a specific soil profile. The BSPP will also address the variability of concentration levels in deeper geologic formations by collecting samples of geologic materials. The BSPP will establish a database, with recommendations on how to use the data for contaminated site assessment, and provide data to estimate the potential human and health and ecological risk associated with background level concentrations of potentially hazardous constituents. BSPP data will be used or applied as follows.
Inner zone electron radial diffusion coefficients - An update with Van Allen Probes MagEIS data
NASA Astrophysics Data System (ADS)
O'Brien, Paul; Fennell, Joseph; Guild, Timothy; Mazur, Joseph; Claudepierre, Seth; Clemmons, James; Turner, Drew; Blake, Bernard; Roeder, James
2016-07-01
Using MagEIS data from NASA's recent Van Allen Probes mission, we estimate the quiet-time radial diffusion coefficients for electrons in the inner radiation belt and slot, for energies up to ~700 keV. We provide observational evidence that energy diffusion is negligible. The main dynamic processes, then, are radial diffusion and elastic pitch angle scattering. We use a coordinate system in which these two modes of diffusion are separable. Then we integrate over pitch angle to obtain a field line content whose dynamics consist of radial diffusion and loss to the atmosphere. We estimate the loss timescale from periods of exponential decay in the time series. We then estimate the radial diffusion coefficient from the temporal and radial variation of the field line content. We show that our diffusion coefficients agree well with previously determined values. Our coefficients are consistent with diffusion by electrostatic impulses, whereas outer zone radial diffusion is thought to be dominated by electromagnetic fluctuations.
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...
The diagnostic value of biexponential apparent diffusion coefficients in myopathy.
Ran, Jun; Liu, Yao; Sun, Dong; Morelli, John; Zhang, Ping; Wu, Gang; Sheng, Yuda; Xie, Ruyi; Zhang, Xiaoli; Li, Xiaoming
2016-07-01
To investigate the performance of a biexponential signal decay model using DWI in myopathies and to differentiate Polymyositis (PM)/Dermatomyositis (DM), Glycogen Storage Diseases (GSDs) and Muscular Dystrophies (MDs) utilizing diffusion-weighted imaging. 11 healthy volunteers (control group) and 46 patients with myopathy were enrolled in the retrospective study. 27 of 46 patients had PM/DM, 7 patients GSDs and 12 patients MDs. After conventional MR sequences, diffusion weighted imaging with a b-factor ranging from 0 to 1200 s/mm(2) was performed on both thighs. The intra-muscular signal-to-noise ratios (SNRs) on multiple-b DWI images were measured for 7 different muscles and compared among the different groups. The median T2 signal intensity and biexponential apparent diffusion coefficients (ADC), including standard ADC, fast ADC, and slow ADC values, were compared among the different groups. The intra-muscular SNRs were statistically significantly different depending on the b value, and also found among the 4 groups (p < 0.05). The median T2 signal intensity of the normal muscles in control group was statistically significantly lower than that of edematous muscles in the PM/DM, GSDs and MDs groups (p = 0.000), while there were no statistically significant differences among the PM/DM, GSDs, and MDs groups (p > 0.05). The median standard ADC value of the edematous muscles in GSDs was statistically significantly lower than that of normal muscles in the control group (p = 0.000) and the median ADC value of the edematous muscles in PM/DM patients was statistically significantly greater than that of the GSDs (p = 0.000) and MDs groups (p = 0.005). The median slow ADC value of the edematous muscles in MDs patients and PM/DM patients was statistically significantly greater than that of GSDs patients (p < 0.05). Intra-muscular SNR decay curves and biexponential ADC parameters are useful in distinguishing among PM/DM, GSDs, and MDs. PMID:27142711
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 μg/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
On the Origin of Quantum Diffusion Coefficient and Quantum Potential
NASA Astrophysics Data System (ADS)
Gupta, Aseem
2016-03-01
Synchronizability of space and time experiences between different inhabitants of a spacetime is abstracted as a fundamental premise of Classical physics. Absence thereof i.e. desynchronization between space and time experiences of a system under study and the observer is then studied for a single dimension single particle system. Desynchronization fundamentally makes probability concepts enter physics ab-initio and not as secondary tools to deal with situations wherein incomplete information in situation following perfectly deterministic dynamics demands its introduction. Desynchronization model based on Poisson distribution of events vis-à-vis an observer, leads to expectation of particle's motion as a Brownian motion deriving Nelson's quantum diffusion coefficient naturally, without needing to postulate it. This model also incorporates physical effects akin to those of Bohm's Quantum Potential, again without needing any sub-quantum medium. Schrodinger's equation is shown to be derivable incorporating desynchronization only of space while Quantum Field Theory is shown to model desynchronization of time as well. Fundamental suggestion of the study is that it is desynchronization that is at the root of quantum phenomena rather than sub-micro scales of spacetime. Absence of possibility of synchronization between system's space and time and those of observer is studied. Mathematical modeling of desynchronized evolution explains some intriguing aspects of Quantum Mechanical theory.
Coordinate-dependent diffusion coefficients: Decay rate in open quantum systems
Sargsyan, V. V.; Palchikov, Yu. V.; Antonenko, N. V.; Kanokov, Z.; Adamian, G. G.
2007-06-15
Based on a master equation for the reduced density matrix of an open quantum collective system, the influence of coordinate-dependent microscopical diffusion coefficients on the decay rate from a metastable state is treated. For various frictions and temperatures larger than a crossover temperature, the quasistationary decay rates obtained with the coordinate-dependent microscopical set of diffusion coefficients are compared with those obtained with the coordinate-independent microscopical set of diffusion coefficients and coordinate-independent and -dependent phenomenological sets of diffusion coefficients. Neglecting the coordinate dependence of diffusion coefficients, one can strongly overestimate or underestimate the decay rate at low temperature. The coordinate-dependent phenomenological diffusion coefficient in momentum are shown to be suitable for applications.
Effect of transiently bound collision on binary diffusion coefficients of free radical species
NASA Astrophysics Data System (ADS)
Wang, Hai
2000-08-01
The influence of transiently bound collision on the diffusion coefficient of free radicals was examined using molecular dynamics simulations and the Green-Kubo formula. It was found that transiently bound collisions significantly increase the diffusion coefficients of free radicals at temperatures relevant to combustion. The present study suggests that a molecular theory beyond the Chapman-Enskog equation is needed to evaluate the diffusion coefficients of free radicals in laminar flame and other high-temperature reacting flow simulations.
Sykora, D.W.; Yule, D.E.
1996-04-01
This report documents a reassessment of liquefaction potential and estimation of earthquake-induced settlements for the U.S. Department of Energy (DOE), Paducah Gaseous Diffusion Plant (PGDP), located southwest of Paducah, KY. The U.S. Army Engineer Waterways Experiment Station (WES) was authorized to conduct this study from FY91 to FY94 by the DOE, Oak Ridge Operations (ORO), Oak Ridge, TN, through Inter- Agency Agreement (IAG) No. DE-AI05-91OR21971. The study was conducted under the Gaseous Diffusion Plant Safety Analysis Report (GDP SAR) Program.
NASA Astrophysics Data System (ADS)
Karatas, Ahmet Emre
High-pressure soot formation and flame stability characteristics were studied experimentally in laminar diffusion flames. For the former, radially resolved soot volume fraction and temperature profiles were measured in axisymmetric co-flow laminar diffusion flames of pre-vaporized n-heptane-air, undiluted ethylene-air, and nitrogen and carbon dioxide diluted ethylene-air at elevated pressures. Abel inversion was used to re-construct radially resolved data from the line-of-sight spectral soot emission measurements. For the latter, flame extinction strain rate was measured in counterflow laminar diffusion flames of C1-4 alcohols and hydrocarbon fuels of n-heptane, n-octane, iso-octane, toluene, Jet-A, and biodiesel. The luminous flame height, as marked by visible soot radiation, of the nitrogen- and helium-diluted n-heptane and nitrogen- and carbon dioxide-diluted ethylene flames stayed constant at all pressures. In pure ethylene flames, flame heights initially increased with pressure, but changed little above 5 atm. The maximum soot yield as a function of pressure in nitrogen-diluted n-heptane diffusion flames indicate that n-heptane flames are slightly more sensitive to pressure than gaseous alkane hydrocarbon flames at least up to 7 atm. Ethylene's maximum soot volume fractions were much higher than those of ethane and n-heptane diluted with nitrogen (fuel to nitrogen mass flow ratio is about 0.5). Pressure dependence of the peak carbon conversion to soot, defined as the percentage of fuel's carbon content converted to soot, was assessed and compared to previous measurements with other gaseous fuels. Maximum soot volume fractions were consistently lower in carbon dioxide-diluted flames between 5 and 15 atm but approached similar values to those in nitrogen-diluted flames at 20 atm. This observation implies that the chemical soot suppression effect of carbon dioxide, previously demonstrated at atmospheric pressure, is also present at elevated pressures up to 15 atm
Diffusion in the system K2O-SrO-SiO2. II - Cation self-diffusion coefficients.
NASA Technical Reports Server (NTRS)
Varshneya, A. K.; Cooper, A. R.
1972-01-01
The self-diffusion coefficients were measured by introducing a slab of glass previously irradiated in a reactor between two slabs of unirradiated glass. By heating the specimens, etching them sequentially and determining the radioactivity, self-diffusion coefficients for K and Sr were measured. It is pointed out that the results obtained in the investigations appear to support the proposal that the network of the base glass predominantly controls the activation energy for the diffusion of ions.
Development of NF3 Deposit Removal Technology for the Portsmouth Gaseous Diffusion Plant
Scheele, R.D.; McNamara, B.K.; Rapko, B.M.; Edwards, M.K.; Kozelisky, A.E.; Daniel, R.C.; McSweeney, T.I.; Maharas, S.J.; Weaver, P.J.; Iwamasa, K.J.; Kefgen, R.B.
2006-07-01
This paper summarizes the Battelle, Stoller, and WASTREN (BSW) team's efforts, to date, in support of the United States Department of Energy's plans to remove uranium and technetium deposits before decommissioning the Portsmouth Gaseous Diffusion Plant. The BSW team investigated nitrogen trifluoride (NF{sub 3}) as a safer yet effective alternative gaseous treatment to the chlorine trifluoride (ClF{sub 3})-elemental fluorine (F{sub 2}) treatment currently used to remove uranium and technetium deposits from the uranium enrichment cascade. Both ClF{sub 3} and F{sub 2} are highly reactive, toxic, and hazardous gases, while NF{sub 3}, although toxic [1], is no more harmful than moth balls [2]. BSW's laboratory thermo-analytical and laboratory-scale prototype studies with NF{sub 3} established that thermal NF{sub 3} can effectively remove likely and potential uranium (UO{sub 2}F{sub 2} and UF{sub 4}) and technetium deposits (a surrogate deposit material, TcO{sub 2}, and pertechnetates) by conversion to volatile compounds. Our engineering evaluations suggest that NF{sub 3}'s effectiveness could be enhanced by combining with a lesser concentration of ClF{sub 3}. BSW's and other's studies indicate compatibility with Portsmouth materials of construction (aluminum, copper, and nickel). (authors)
Shalchi, A.
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.
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.
Kszos, L.A.
1994-03-01
On September 23, 1987, the Commonwealth of Kentucky Natural Resources and Environmental Protection Cabinet issued an Agreed Order that required the development of a Biological Monitoring Program (BMP) for the Paducah Gaseous Diffusion Plant (PGDP). Beginning in fall 1991, the Environmental Sciences Division (ESD) at Oak Ridge National Lab (ORNL) added data collection and report preparation to its responsibilities for the PGDP BMP. The BMP has been continued because it has proven to be extremely valuable in identifying those effluents with the potential for adversely affecting instream fauna, assessing the ecological health of receiving streams, guiding plans for remediation, and protecting human health. In September 1992, a renewed permit was issued which requires toxicity monitoring of continuous and intermittent outfalls on a quarterly basis. The BMP for PGDP consists of three major tasks: (1) effluent and ambient toxicity monitoring, (2) bioaccumulation studies, and (3) ecological surveys of stream communities. This report includes ESD/ORNL activities occurring from December 1990 to November 1992.
Kszos, L.A.; Hinzman, R.L.; Peterson, M.J.; Ryon, M.G.; Smith, J.G.; Southworth, G.R.
1995-06-01
On September 24, 1987, the Commonwealth of Kentucky Natural Resources and Environmental Protection Cabinet issued an Agreed Order that required the development of a Biological Monitoring Program (BMP) for the Paducah Gaseous Diffusion Plant (PGDP). The goals of BMP are to demonstrate that the effluent limitations established for PGDP protect and maintain the use of Little Bayou and Big Bayou creeks for growth and propagation of fish and other aquatic life, characterize potential health and environmental impacts, document the effects of pollution abatement facilities on stream biota, and recommend any program improvements that would increase effluent treatability. The BMP for PGDP consists of three major tasks: effluent and ambient toxicity monitoring, bioaccumulation studies, and ecological surveys of stream communities (i.e., benthic macroinvertebrates and fish). This report includes ESD activities occurring from December 1992 to December 1993, although activities conducted outside this time period are included as appropriate.
Not Available
1991-09-25
The Portsmouth Gaseous Diffusion Plant Security and Police Operations Department is responsible for protecting the US Department of Energy interests at the Portsmouth Plant from theft, sabotage, and other hostile acts that may adversely affect national security, the public health and safety, or property at the Department of Energy facility. This audit's purpose was to evaluate Martin Marietta Energy Systems, Inc.'s staff management at the Portsmouth Plant Security Department. The Portsmouth Plant Security Department could reduce operating cost up to an estimated $4.4 million over 5 years by: (1) Eliminating up to 14 unnecessary staff positions, and (2) reducing the length of relief breaks. These economies could be realized through implementing written operating procedures and negotiating removal of certain labor union restrictions. 2 tabs.
Gaseous Species Measurements of Alternative Jet Fuels in Sooting Laminar Coflow Diffusion Flames
NASA Astrophysics Data System (ADS)
Zabeti, Parham
The gaseous species concentration of Jet A-1, GTL, CTL and a blend of 80 vol.% GTL and 20 vol.% hexanol jet fuels in laminar coflow diffusion flames have been measured and studied. These species are carbon monoxide, carbon dioxide, oxygen, methane, ethane, ethylene, propylene, and acetylene. Benzene and propyne concentrations were also detected in CTL flames. 1-Butene has been quantified for the blend of GTL and hexanol flame. The detailed experimental setup has been described and results from different flames are compared. The CO is produced in a same amount in all the flames. The CTL flame had the largest and GTL/hexanol flame had lowest CO2 concentrations. The results indicate that GTL and GTL hexanol blend flames produce similar concentrations for all the measured hydrocarbon species and have the highest concentration among all the jet fuels. The experimental results from Jet A-1 fuel are also compared with numerical studies by Saffaripour et al .
Study of technetium uptake in vegetation in the vicinity of the Portsmouth Gaseous Diffusion Plant
Acox, T.A.
1982-01-01
Technetium-99 was measured in vegetation and soil collected on and near the Portsmouth Gaseous Diffusion Plant to obtain an estimate of the soil-to-vegetation concentration factors. The concentration factors appear to be lognormally distributed with a geometric mean of 3.4 (Bq/kg dry wt. tissue per Bq/kg dry wt. soil) and a geometric standard deviation of 4.7. A dose commitment was calculated using a hypothetical 3.7 x 10/sup 10/ Bq Tc-99/year release and the actual CY-1981 concentration release of Tc-99. The radiological significance of Tc-99 in the terrestial food chain is substantially less than previously believed.
Paducah Gaseous Diffusion Plant Annual Site Environmental Report summary for 1993
Not Available
1994-11-01
This report contains summaries of the environmental programs at Paducah Gaseous Diffusion Plant, environmental monitoring and the results, and the impact of operations on the environment and the public for 1993. The environmental monitoring program at Paducah includes effluent monitoring and environmental surveillance. Effluent monitoring is measurement of releases as they occur. Contaminants are released through either airborne emissions or liquids discharged from the plant. These releases occur as part of normal site operations, such as cooling water discharged from the uranium enrichment cascade operations or airborne releases from ventilation systems. In the event of system failure, this monitoring provides timely warning so that corrective action can be taken before releases reach an unsafe level. Environmental surveillance tracks the dispersion of materials into the environment after they have been released. This involves the collection of samples from various media, such as water, soil, vegetation, and food crops, and the analysis of these samples for certain radionuclides, chemicals, and metals.
Portsmouth Gaseous Diffusion Plant Annual Site Environmental Report summary for 1993
Not Available
1994-11-01
This report contains summaries of the environmental programs at Paducah Gaseous Diffusion Plant, environmental monitoring and the results, and the impact of operations on the environment and the public for 1993. The environmental monitoring program at Paducah includes effluent monitoring and environmental surveillance. Effluent monitoring is measurement of releases as they occur. Contaminants are released through either airborne emissions or liquids discharged from the plant. These releases occur as part of normal site operations, such as cooling water discharged from the uranium enrichment cascade operations or airborne releases from ventilation systems. In the event of system failure, this monitoring provides timely warning so that corrective action can be taken before releases reach an unsafe level. Environmental surveillance tracks the dispersion of materials into the environment after they have been released. This involves the collection of samples from various media, such as water, soil, vegetation, and food crops, and the analysis of these samples for certain radionuclides, chemicals, and metals.
A probabilistic safety analysis of UF{sub 6} handling at the Portsmouth Gaseous Diffusion Plant
Boyd, G.J.; Lewis, S.R.; Summitt, R.L.
1991-12-31
A probabilistic safety study of UF{sub 6} handling activities at the Portsmouth Gaseous Diffusion Plant has recently been completed. The analysis provides a unique perspective on the safety of UF{sub 6} handling activities. The estimated release frequencies provide an understanding of current risks, and the examination of individual contributors yields a ranking of important plant features and operations. Aside from the probabilistic results, however, there is an even more important benefit derived from a systematic modeling of all operations. The integrated approach employed in the analysis allows the interrelationships among the equipment and the required operations to be explored in depth. This paper summarizes the methods used in the study and provides an overview of some of the technical insights that were obtained. Specific areas of possible improvement in operations are described.
Regional flood hazard assessment of the Paducah and Portsmouth Gaseous Diffusion Plants
Johnson, R.O.; Wang, J.C.; Lee, D.W.
1991-01-01
Regional flood-hazard assessments performed for the Paducah and Portsmouth Gaseous Diffusion Plants are reviewed, compared, and contrasted to determine the relationship of probable maximum flood methodology with respect to US Department of Energy design and evaluation guidelines. The Paducah assessment was carried out using probable maximum flood methodology, while the Portsmouth assessment utilized probabilistic techniques. Results indicated that regional flooding along nearby rivers would not inundate either plant, and that the guidelines were satisfied. A comparison of results indicated that the probable maximum flood recurrence interval associated with the Paducah assessment exceeded the 10,000 years depending on the choice of the probabilistic model used to perform the assessment. It was concluded, based on an analysis of two data points, that smaller watersheds driven by single event storms could be assessed using probabilistic techniques, while probable maximum flood methodology could be applied to larger drainage basins flooded by storm sequences. 32 refs., 3 figs.
BAHR, DEBRA E.; ALDRICH, TIMOTHY E.; SEIDU, DAZAR; BRION, GAIL M.; TOLLERUD, DAVID J.; MULDOON, SUSAN; REINHART, NANCY; YOUSEEFAGHA, AHMED; MCKINNEY, PAUL; HUGHES, THERESE; CHAN, CAROLINE; RICE, CAROL; BREWER, DAVID E.; FREYBERG, RONALD W.; MOHLENKAMP, ADRIANE MOSER; HAHN, KRISTEN; HORNUNG, RICHARD; HO, MONA; DASTIDAR, ANIRUDDHA; FREITAS, SAMANTHA; SAMAN, DANIEL; RAVDAL, HEGE; SCUTCHFIELD, DOUGLAS; EGER, KENNETH J.; MINOR, STEVE
2016-01-01
Objective The Paducah Gaseous Diffusion Plant (PGDP) became operational in 1952; it is located in the western part of Kentucky. We conducted a mortality study for adverse health effects that workers may have suffered while working at the plant, including exposures to chemicals. Materials and Methods We studied a cohort of 6820 workers at the PGDP for the period 1953 to 2003; there were a total of 1672 deaths to cohort members. Trichloroethylene (TCE) is a specific concern for this workforce; exposure to TCE occurred primarily in departments that clean the process equipment. The Life Table Analysis System (LTAS) program developed by NIOSH was used to calculate the standardized mortality ratios for the worker cohort and standardized rate ratio relative to exposure to TCE (the U.S. population is the referent for age-adjustment). LTAS calculated a significantly low overall SMR for these workers of 0.76 (95% CI: 0.72–0.79). A further review of three major cancers of interest to Kentucky produced significantly low SMR for trachea, bronchus, lung cancer (0.75, 95% CI: 0.72–0.79) and high SMR for Non-Hodgkin's lymphoma (NHL) (1.49, 95% CI: 1.02–2.10). Results No significant SMR was observed for leukemia and no significant SRRs were observed for any disease. Both the leukemia and lung cancer results were examined and determined to reflect regional mortality patterns. However, the Non-Hodgkin's Lymphoma finding suggests a curious amplification when living cases are included with the mortality experience. Conclusions Further examination is recommended of this recurrent finding from all three U.S. Gaseous Diffusion plants. PMID:21468904
Surfactant-enhanced aquifer remediation at the Portsmouth Gaseous Diffusion Plant
Jackson, R.E.; Londergan, J.T.; Pickens, J.F.
1995-10-01
Many DOE facilities are situated in areas of sand and gravel which have become polluted with dense, non-aqueous phase liquids or DNAPLs, such as chlorinated solvents, from the various industrial operations at these facilities. The presence of such DNAPLs in sand and gravel aquifers is now recognized as the principal factor in the failure of standard ground-water remediation methods. The principal objective of this study, as stated in the Statement of Work of the contract (DE-AC21-92MC29111), is to demonstrate that multi-component DNAPLs can be readily solubilized in sand and gravel aquifers by dilute surfactant solutions. The specific objectives of the contract are: to identify dilute surfactants or blends of surfactants in the laboratory that will efficiently extract multi-component DNAPLs from sand and gravel aquifers by micellar solubilization (Phase 1); 2. to test the efficacy of the identified surfactants or blends of surfactants to solubilize in situ perchloroethylene (PCE) and trichloroethylene (TCE) DNAPLs by the injection and the subsequent extraction through an existing well or wells at a government-owned contaminated site (Phase 1); and 3. to demonstrate the full-scale operation of this remedial technology at a government-owned contaminated site (Phase 2). Specific objective number 1 has been completed and reported to DOE. However, the results of the test referred to in specific objective number 2, conducted at Paducah Gaseous Diffusion Plant in 1994, were inconclusive. Following this first test, it was decided by DOE and INTERA to move the test site elsewhere due to difficulties with obtaining core samples of the sand and gravel aquifer containing the DNAPL and with ascertaining the location of the DNAPL relative to the injection well. The solubilization test at the Portsmouth Gaseous Diffusion Plant (PORTS) will constitute the second test of Phase 1 of this contract.
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.
NASA Technical Reports Server (NTRS)
Goldman, H.; Wolf, M.
1979-01-01
The manufacturing methods for photovoltaic solar energy utilization are assessed. Economic and technical data on the current front junction formation processes of gaseous diffusion and ion implantation are presented. Future proposals, including modifying gaseous diffusion and using ion implantation, to decrease the cost of junction formation are studied. Technology developments in current processes and an economic evaluation of the processes are included.
Stellwagen, Earle; Stellwagen, Nancy C
2015-09-01
Free solution capillary electrophoresis (CE) is a useful technique for measuring the translational diffusion coefficients of charged analytes. The measurements are relatively fast if the polarity of the electric field is reversed to drive the analyte back and forth past the detection window during each run. We have tested the validity of the resulting diffusion coefficients using double-stranded DNA molecules ranging in size from 20 to 960 base pairs as the model system. The diffusion coefficients of small DNAs are equal to values in the literature measured by other techniques. However, the diffusion coefficients of DNA molecules larger than ∼30 base pairs are anomalously high and deviate increasingly from the literature values with increasing DNA molar mass. The anomalously high diffusion coefficients are due to electrostatic coupling between the DNA and its counterions. As a result, the measured diffusion coefficients vary with the diffusion coefficient of the counterion, as well as with cation concentration and electric field strength. These effects can be reduced or eliminated by measuring apparent diffusion coefficients of the DNA at several different electric field strengths and extrapolating the results to zero electric field.
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...
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...
Calculation of diffusion coefficients of defects and ions in UO2
NASA Astrophysics Data System (ADS)
Kuksin, A. Yu.; Smirnova, D. E.
2014-06-01
This paper has presented molecular dynamics calculations of the diffusion coefficients of interstitials, vacancies, and vacancy complexes of oxygen and uranium in UO2, as well as the coefficients of ion diffusion provided by these defects. The interatomic potentials have been chosen by comparing the defect formation energies with data of the DFT + U calculations. The results of the calculations have been compared with experimental data on the annealing of defects and the measurements of self-diffusion coefficients of ions. The limitations of the model of point defects for the description of the self-diffusion in nominally stoichiometric UO2 have been discussed.
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.
Secondary ion mass spectroscopy determination of oxygen diffusion coefficient in heavily Sb doped Si
NASA Astrophysics Data System (ADS)
Pagani, M.
1990-10-01
The diffusion coefficient of oxygen in heavily antimony doped Czochralski Si was measured in the temperature range 950-1100 °C by using secondary ion mass spectroscopy (SIMS). The diffusion coefficient, obtained from SIMS oxygen concentration profiles in samples submitted to out diffusion, shows no dependence on antimony concentration. The combined data give an activation energy of 2.68 eV, which is in good agreement with published results.
Diffusion in mixed solvents. III - The heat of mixing parameter and the Soret coefficient
NASA Technical Reports Server (NTRS)
Carapellucci, P. A.
1976-01-01
New evidence is presented that for aqueous glycerol solutions, the Soret coefficient of glycerol, sigma sub 1 = D sub 1 T/D sub 1 (where D sub 1 T and D sub 1 are the thermal and self-diffusion coefficients, respectively, of glycerol in aqueous solutions), is an integral part of the heat of mixing parameter. Expressions are presented indicating the importance of the Soret coefficients to correlations for diffusion processes in glycerol water solvents.
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...
Lober, Robert M; Cho, Yoon-Jae; Tang, Yujie; Barnes, Patrick D; Edwards, Michael S; Vogel, Hannes; Fisher, Paul G; Monje, Michelle; Yeom, Kristen W
2014-03-01
While pediatric diffuse intrinsic pontine gliomas (DIPG) remain fatal, recent data have shown subgroups with distinct molecular biology and clinical behavior. We hypothesized that diffusion-weighted MRI can be used as a prognostic marker to stratify DIPG subsets with distinct clinical behavior. Apparent diffusion coefficient (ADC) values derived from diffusion-weighted MRI were computed in 20 consecutive children with treatment-naïve DIPG tumors. The median ADC for the cohort was used to stratify the tumors into low and high ADC groups. Survival, gender, therapy, and potential steroid effects were compared between the ADC groups. Median age at diagnosis was 6.6 (range 2.3-13.2) years, with median follow-up seven (range 1-36) months. There were 14 boys and six girls. Seventeen patients received radiotherapy, five received chemotherapy, and six underwent cerebrospinal fluid diversion. The median ADC of 1,295 × 10(-6) mm(2)/s for the cohort partitioned tumors into low or high diffusion groups, which had distinct median survivals of 3 and 13 months, respectively (log-rank p < 0.001). Low ADC tumors were found only in boys, whereas high ADC tumors were found in both boys and girls. Available tissue specimens in three low ADC tumors demonstrated high-grade histology, whereas one high ADC tumor demonstrated low-grade histology with a histone H3.1 K27M mutation and high-grade metastatic lesion at autopsy. ADC derived from diffusion-weighted MRI may identify prognostically distinct subgroups of pediatric DIPG. PMID:24522717
Directional diffusion coefficients of solar protons inside and outside the bow shock.
NASA Technical Reports Server (NTRS)
Verzariu, P.; Krimigis, S. M.
1973-01-01
The directional diffusion coefficients of low-energy (greater than or equal to 0.3 MeV) solar protons inside and outside the bow shock are examined during the solar flare event of Jan. 24, 1969. The data are derived from simultaneous observations obtained by Explorer 33 inside the magnetosheath and by Explorer 35 in the interplanetary medium. Although the gross properties of the spin-averaged intensities on a diffusion-type plot appear to be the same in both media, the directional intensities show significant variations. It is shown that directional intensities of low-energy protons can be described reasonably well by anisotropic diffusion with an associated diffusion coefficient. Directional diffusion coefficients are found to differ by a factor of as much as three among different directions in space, and from the spin-averaged diffusion coefficient. This suggests that anisotropic diffusion does indeed take place and that so called 'isotropic' diffusion coefficients derived in the past from spin-averaged intensities may actually be directional diffusion coefficients in cases where substantial anisotropies (greater than 50%) exist.
Impurity Diffusion Coefficients of Al and Zn in Mg Determined from Solid-to-Solid Diffusion Couples
Kammerer, Catherine; Kulkarni, Nagraj S; Warmack, Robert J Bruce; Perry, Kelly A; Belova, Irina; Murch, Prof. Graeme; Sohn, Yong Ho
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.
Comparative study of methods used to estimate ionic diffusion coefficients using migration tests
Narsilio, G.A. Li, R. Pivonka, P. Smith, D.W.
2007-08-15
Ionic diffusion coefficients are estimated rapidly using electromigration tests. In this paper, electromigration tests are accurately simulated by numerically solving the Nernst-Planck (NP) equation (coupled with the electroneutrality condition (EN)) using the finite element method. Numerical simulations are validated against experimental data obtained elsewhere [E. Samson, J. Marchand, K.A. Snyder, Calculation of ionic diffusion coefficients on the basis of migration test results, Materials and Structures/Materiaux et Constructions 36 (257) (2003) 156-165., H. Friedmann, O. Amiri, A. Ait-Mokhtar, A direct method for determining chloride diffusion coefficient by using migration test, Cement and Concrete Research 34 (11) (2004) 1967-1973.]. It is shown that migration due to the non-linear electric potential completely overwhelms diffusion due to concentration gradients. The effects of different applied voltage differences and chloride source concentrations on estimations of chloride diffusion coefficients are explored. We show that the pore fluid within concrete and mortar specimens generally differs from the curing solution, lowering the apparent diffusion coefficient, primarily due to interactions of chloride ions with other ions in the pore fluid. We show that the variation of source chloride concentration strongly affects the estimation of diffusion coefficients in non-steady-state tests; however this effect vanishes under steady-state conditions. Most importantly, a comparison of diffusion coefficients obtained from sophisticated analyses (i.e., NP-EN) and a variety of commonly used simplifying methods to estimate chloride diffusion coefficients allows us to identify those methods and experimental conditions where both approaches deliver good estimates for chloride diffusion coefficients. Finally, we demonstrate why simultaneous use and monitoring of current density and fluxes are recommended for both the non-steady and steady-state migration tests.
Ha, Jiyeon; Engler, Cady R; Lee, Seung Jae
2008-07-01
Diffusion characteristics of chlorferon and diethylthiophosphate (DETP) in Ca-alginate gel beads were studied to assist in designing and operating bioreactor systems. Diffusion coefficients for chlorferon and DETP in Ca-alginate gel beads determined at conditions suitable for biodegradation studies were 2.70 x 10(-11) m(2)/s and 4.28 x 10(-11) m(2)/s, respectively. Diffusivities of chlorferon and DETP were influenced by several factors, including viscosity of the bulk solution, agitation speed, and the concentrations of diffusing substrate and immobilized cells. Diffusion coefficients increased with increasing agitation speed, probably due to poor mixing at low speed and some attrition of beads at high speeds. Diffusion coefficients also increased with decreasing substrate concentration. Increased cell concentration in the gel beads caused lower diffusivity. Theoretical models to predict diffusivities as a function of cell weight fraction overestimated the effective diffusivities for both chlorferon and DETP, but linear relations between effective diffusivity and cell weight fraction were derived from experimental data. Calcium-alginate gel beads with radii of 1.65-1.70 mm used in this study were not subject to diffusional limitations: external mass transfer resistances were negligible based on Biot number calculations and effectiveness factors indicated that internal mass transfer resistance was negligible. Therefore, the degradation rates of chlorferon and DETP inside Ca-alginate gel beads were reaction-limited. PMID:18080347
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.
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.
Diffusion coefficient for ions in the presence of a coherent lower hybrid wave
NASA Astrophysics Data System (ADS)
Antonsen, T. M., Jr.; Ott, J.
1981-09-01
The diffusion coefficient resulting from ergodic ion motion when the amplitude of a coherent lower hybrid wave exceeds a certain stochasticity threshold is considered. A previously developed method by Rechester et al. (1981) is adopted to obtain an analytical result for the diffusion coefficient of an ion in a lower hybrid wave, and results are in good agreement with those of Karney (1979). The problem is formulated in terms of a recursion relation for the Fourier transformed distribution function, and results show a sharp resonance behavior in the diffusion coefficient. For large amplitude waves, the diffusion coefficient oscillates with decreasing amplitude about the quasi-linear value as the wave amplitude increases, and the coefficient is shown to be subject to narrow resonances at wave amplitudes corresponding to fixed points in the map.
Scale dependence of the effective matrix diffusion coefficient:some analytical results
Liu, H.H.; Zhang, Y.Q.; Molz, F.J.
2005-05-30
Matrix diffusion is an important process affecting solutetransport in fractured rock, and the matrix diffusion coefficient is akey parameter for describing this process. Previous studies haveindicated that the effective matrix-diffusion coefficient values,obtained from a number of field tracer tests, are enhanced in comparisonwith local values and may increase with test scale. In thiscommunication, we develop analytical expressions for the effective matrixdiffusion coefficient for two simple fracture-matrix systems, anddemonstrate that heterogeneities in the rock matrix at different scalescontribute to the scale dependence of the effective matrix diffusioncoefficient.
Not Available
1992-11-01
An aerial radiological survey of the Paducah Gaseous Diffusion Plant (PGDP) and surrounding area in Paducah, Kentucky, was conducted during May 15--25, 1990. The purpose of the survey was to measure and document the terrestrial radiological environment at the PGDP and surrounding area for use in effective environmental management and emergency response planning. The aerial survey was flown at an altitude of 61 meters (200 feet) along a series of parallel lines 107 meters (350 feet) apart. The survey encompassed an area of 62 square kilometers (24 square miles), bordered on the north by the Ohio River. The results of the aerial survey are reported as inferred exposure rates at 1 meter above ground level in the form of a gamma radiation contour map. Typical background exposure rates were found to vary from 5 to 12 microroentgens per hour ([mu]R/h). Protactinium-234m, a radioisotope indicative of uranium-238, was detected at several facilities at the PGDR. In support of the aerial survey, ground-based exposure rate and soil sample measurements were obtained at several sites within the survey perimeter. The results of the aerial and ground-based measurements were found to agree within [plus minus]15%.
Kszos, L.A.; Peterson, M.J.; Ryon, M.G.; Smith, J.G.; Southworth, G.R.
1998-03-01
On September 24, 1987, the Commonwealth of Kentucky Natural Resources and Environmental Protection Cabinet issued an Agreed Order that required the development of a Biological Monitoring Program (BMP) for the Paducah Gaseous Diffusion Plant (PGDP). A plan for the biological monitoring of the receiving streams was implemented in 1987 and consisted of ecological surveys, toxicity monitoring of effluents and receiving streams, evaluation of bioaccumulation of trace contaminants in biota, and supplemental chemical characterization of effluents. Beginning in fall 1991, the Environmental Sciences Division (ESD) at Oak Ridge National Laboratory added data collection and report preparation to its responsibilities for the PGDP BMP. The BMP has been continued because it has proven to be extremely valuable in (1) identifying those effluents with the potential for adversely affecting instream fauna, (2) assessing the ecological health of receiving streams, and (3) guiding plans for remediation and protecting human health. The BMP for PGDP consists of three major tasks: (1) effluent toxicity monitoring, (2) bioaccumulation studies, and (3) ecological surveys of benthic macroinvertebrate communities and fish. With the exception of the benthic macroinvertebrate community surveys, this report focuses on activities from January to December 1997.
Characteristics of Gaseous Diffusion Flames with High Temperature Combustion Air in Microgravity
NASA Technical Reports Server (NTRS)
Ghaderi, M.; Gupta, A. K.
2003-01-01
The characteristics of gaseous diffusion flames have been obtained using high temperature combustion air under microgravity conditions. The time resolved flame images under free fall microgravity conditions were obtained from the video images obtained. The tests results reported here were conducted using propane as the fuel and about 1000 C combustion air. The burner included a 0.686 mm diameter central fuel jet injected into the surrounding high temperature combustion air. The fuel jet exit Reynolds number was 63. Several measurements were taken at different air preheats and fuel jet exit Reynolds number. The resulting hybrid color flame was found to be blue at the base of the flame followed by a yellow color flame. The length and width of flame during the entire free fall conditions has been examined. Also the relative flame length and width for blue and yellow portion of the flame has been examined under microgravity conditions. The results show that the flame length decreases and width increases with high air preheats in microgravity condition. In microgravity conditions the flame length is larger with normal temperature combustion air than high temperature air.
Namdoo Moon
2007-12-01
An aerial radiological survey was conducted over the 16 square-mile (~41 square-kilometer) area surrounding the Portsmouth Gaseous Diffusion Plant. The survey was performed in August 2007 utilizing a large array of helicopter mounted sodium iodide detectors. The purpose of the survey was to update the previous radiological survey levels of the environment and surrounding areas of the plant. A search for a missing radium-226 source was also performed. Implied exposure rates, man-made activity, and excess bismuth-214 activity, as calculated from the aerial data are presented in the form of isopleth maps superimposed on imagery of the surveyed area. Ground level and implied aerial exposure rates for nine specific locations are compared. Detected radioisotopes and their associated gamma ray exposure rates were consistent with those expected from normal background emitters. At specific plant locations described in the report, man-made activity was consistent with the operational histories of the location. There was no spectral activity that would indicate the presence of the lost source.
Operating limit study for the proposed solid waste landfill at Paducah Gaseous Diffusion Plant
Lee, D.W.; Wang, J.C.; Kocher, D.C.
1995-06-01
A proposed solid waste landfill at Paducah Gaseous Diffusion Plant (PGDP) would accept wastes generated during normal operations that are identified as non-radioactive. These wastes may include small amounts of radioactive material from incidental contamination during plant operations. A site-specific analysis of the new solid waste landfill is presented to determine a proposed operating limit that will allow for waste disposal operations to occur such that protection of public health and the environment from the presence of incidentally contaminated waste materials can be assured. Performance objectives for disposal were defined from existing regulatory guidance to establish reasonable dose limits for protection of public health and the environment. Waste concentration limits were determined consistent with these performance objectives for the protection of off-site individuals and inadvertent intruders who might be directly exposed to disposed wastes. Exposures of off-site individuals were estimated using a conservative, site-specific model of the groundwater transport of contamination from the wastes. Direct intrusion was analyzed using an agricultural homesteader scenario. The most limiting concentrations from direct intrusion or groundwater transport were used to establish the concentration limits for radionuclides likely to be present in PGDP wastes.
Trowbridge, L.D.; Angel, E.C.
1993-05-01
The DOE gaseous diffusion plant complex makes extensive use of CFC-114 as a primary coolant. As this material is scheduled for production curtailment within the next few years, a search for substitutes is underway, and apparently workable alternatives have been found and are under testing. The presently favored substitutes, FC-c3l8 and FC-3110, satisfy ozone depletion and operational chemical compatibility concerns, but will be long-lived greenhouse gases, and thus may be regulated on that basis in the future. A further search is therefore underway for compounds with shorter atmospheric lifetimes which could otherwise satisfy operational physical and chemical requirements. A number of such candidates are in the process of being screened for chemical compatibility in a fluorinating environment. This document presents infrared spectral data developed and used in that study for candidates recently examined, and also for many of their fluorination reaction products. The data include gas-phase infrared spectra, quantitative peak intensities as a function of partial pressure, and integrated absorbance strength in the IR-transparent atmospheric window of interest to global warming modeling. Combining this last property with literature or estimated atmospheric lifetimes, rough estimates of global warming potential for these compounds are also presented.
Kszos, L.A.
1996-05-01
On September 24, 1987, the Commonwealth of Kentucky Natural Resources and Environmental Protection Cabinet issued an Agreed Order that required the development of a Biological Monitoring Program (BMP) for the Paducah Gaseous Diffusion Plant (PGDP). The PGDP BMP was implemented in 1987 by the University of Kentucky. Research staff of the Environmental Sciences Division (ESD) at Oak Ridge National Laboratory (ORNL) served as reviewers and advisers to the University of Kentucky. Beginning in fall 1991, ESD added data collection and report preparation to its responsibilities for the PGDP BMP. The goals of BMP are to (1) demonstrate that the effluent limitations established for PGDP protect and maintain the use of Little Bayou and Big Bayou creeks for growth and propagation of fish and other aquatic life, (2) characterize potential environmental impacts, (3) document the effects of pollution abatement facilities on stream biota, and (4) recommend any program improvements that would increase effluent treatability. In September 1992, a renewed Kentucky Pollutant Discharge Elimination System (KPDES) permit was issued to PGDP. The BMP for PGDP consists of three major tasks: (1) effluent and ambient toxicity monitoring, (2) bioaccumulation studies, and (3) ecological surveys of stream communities (i.e., benthic macroinvertebrates and fish). This report includes ESD activities occurring from December 1993 to December 1994, although activities conducted outside this time period are included as appropriate.
Kszos, L.A.; Konetsky, B.K.; Peterson, M.J.; Petrie, R.B.; Ryon, M.G.; Smith, J.G.; Southworth, G.R.
1997-06-01
On September 24, 1987, the Commonwealth of Kentucky Natural Resources and Environmental Protection Cabinet issued an Agreed Order that required the development of a Biological Monitoring Program (BMP) for the Paducah Gaseous diffusion Plant (PGDP). The PGDP BMP was conducted by the University of Kentucky Between 1987 and 1992 and by staff of the Environmental Sciences Division (ESD) at Oak Ridge National Laboratory (ORNL) from 1991 to present. The goals of BMP are to (1) demonstrate that the effluent limitations established for PGDP protect and maintain the use of Little Bayou and Big Bayou creeks for growth and propagation of fish and other aquatic life, (2) characterize potential environmental impacts, and (3) document the effects of pollution abatement facilities on stream. The BMP for PGDP consists of three major tasks: (1) effluent toxicity monitoring, (2) bioaccumulation studies, and (3) ecological surveys of stream communities (i.e., benthic macroinvertebrates and fish). This report focuses on ESD activities occurring from January 1996 to December 1996, although activities conducted outside this time period are included as appropriate.
Environmental Survey preliminary report, Oak Ridge Gaseous Diffusion Plant, Oak Ridge, Tennessee
Not Available
1989-02-01
This report presents the preliminary findings from the first phase of the Environmental Survey of the US Department of Energy's (DOE) Oak Ridge Gaseous Diffusion Plant (ORGDP) conducted March 14 through 25, 1988. The Survey is being conducted by an interdisciplinary team of environmental specialists, led and managed by the Office of Environment, Safety and Health's Office of Environmental Audit. Individual team components are being supplied by a private contractor. The objective of the Survey is to identify environmental risk associated with ORGDP. The Survey covers all environmental media and all areas of environmental regulation. It is being performed in accordance with the DOE Environmental Survey Manual. This phase of the Survey involves the review of existing site environmental data, observations of the operations carried on at ORGDP, and interviews with site personnel. The Survey team developed a Sampling and Analysis Plan to assist in further assessing certain of the environmental problems identified during is on-site activities. The Sampling and Analysis Plan will be executed by Idaho National Engineering Laboratory (INEL). When completed, the results will be incorporated into the ORGDP Survey findings for in inclusion into the Environmental Survey Summary Report. 120 refs., 41 figs., 74 tabs.
Paducah Gaseous Diffusion Plant proposed pilot pump-and-treat project. Final report
Bodenstein, G.W.; Bonczek, R.R.; Early, T.O.; Huff, D.D.; Jones, K.S.; Nickelson, M.D.; Rightmire, C.T.
1994-01-01
On March 23, 1992, R.C. Sleeman of the Department of Energy, Oak Ridge Operations Office requested that a Groundwater Corrective Actions Team be assembled to evaluate the technical merit of and the need to implement a proposed groundwater pump-and-treat demonstration project for the Northwest contaminant plume at the Paducah Gaseous Diffusion Plant. In addition to other suggestions, the Team recommended that further characterization data be obtained for the plume. In the Fall of 1993 additional, temporary well points were installed so that groundwater samples from the shallow groundwater system and the Regional Gravel Aquifer (RGA) could be obtained to provide a three-dimensional view of groundwater contamination in the region of the plume. The results indicate that pure-phase DNAPL (trichloroethylene [TCE]) probably are present in the source area of the plume and extend in depth to the base of the RGA. Because the DNAPL likely will represent a source of a dissolved phase plume for decades it is essential that source containment take place. The Team recommends that although effective hydraulic containment can be achieved, other alternatives should be considered. For example, recent advances in emplacing low permeability barrier walls to depths of 100 to 150 ft make it possible to consider encirclement of the source of the Northwest plume.
Not Available
1990-02-28
Recognizing the value of a proactive, integrated approach to earthquake preparedness planning, Martin Marietta Energy Systems, Inc, initiated a contract in June 1989 with Murray State University, Murray, Kentucky, to develop a comprehensive earthquake management program for their Gaseous Diffusion Plant in Paducah, Kentucky (PGDP--Subcontract No. 19P-JV649V). The overall purpose of the program is to mitigate the loss of life and property in the event of a major destructive earthquake. The program includes four distinct (yet integrated) components: (1) an emergency management plan, with emphasis on the catas trophic earthquake, (2) an Emergency Operations Center Duty Roster Manual, (3) an Integrated Automated Emergency Management Information System (IAEMIS), and (4) a series of five training program modules. The PLAN itself is comprised of four separate volumes: Volume I--Chapters 1--3; Volume II--Chapters 4--6, Volume III--Chapter 7, and Volume IV--23 Appendices. The EOC Manual (which includes 15 mutual aid agreements) is designated as Chapter 7 in the PLAN and is a stand alone'' document numbered as Volume III. This document, Volume IV contains the appendices to this report.
Not Available
1990-02-28
Recognizing the value of a proactive, integrated approach to earthquake preparedness planning, Martin Marietta Energy Systems, Inc. initiated a contract in June 1989 with Murray State University, Murray, Kentucky, to develop a comprehensive earthquake management program for their Gaseous Diffusion Plant in Paducah, Kentucky. The overall purpose of the program is to mitigate the loss of life and property in the event of a major destructive earthquake. The program includes four distinct (yet integrated) components: an emergency management plan, with emphasis on the catastrophic earthquake; an Emergency Operations Center Duty Roster Manual; an Integrated Automated Emergency Management Information System (IAEMIS); and a series of five training program modules. The PLAN itself is comprised of four separate volumes: Volume I -- Chapters 1--3; Volume II -- Chapters 4--6, Volume III -- Chapter 7, and Volume IV -- 23 Appendices. The EOC Manual (which includes 15 mutual aid agreements) is designated as Chapter 7 in the PLAN and is a stand alone'' document numbered as Volume III. This document, Volume I, provides an introduction, summary and recommendations, and the emergency operations center direction and control.
Not Available
1990-02-28
Recognizing the value of a proactive, integrated approach to earthquake preparedness planning, Martin Marietta Energy Systems, Inc. initiated a contract in June 1989 with Murray State University, Murray, Kentucky, to develop a comprehensive earthquake management program for their Gaseous Diffusion Plant in Paducah, Kentucky (PGDP -- Subcontract No. 19P-JV649V). The overall purpose of the program is to mitigate the loss of life and property in the event of a major destructive earthquake. The program includes four distinct (yet integrated) components: (1) an emergency management plan with emphasis on the catas trophic earthquake; (2) an Emergency Operations Center Duty Roster Manual; (3) an Integrated Automated Emergency Management Information System (IAEMIS); and (4) a series of five training program modules. The PLAN itself is comprised of four separate volumes: Volume I -- Chapters 1--3; Volume II -- Chapters 4--6; Volume III -- Chapter 7; and Volume IV -- 23 Appendices. The EOC Manual (which includes 15 mutual aid agreements) is designated as Chapter 7 in the PLAN and is this document numbered as Volume III.
Not Available
1990-02-28
Recognizing the value of a proactive, integrated approach to earthquake preparedness planning, Martin Marietta Energy Systems, Inc. initiated a contract in June 1989 with Murray State University, Murray, Kentucky, to develop a comprehensive earthquake management program for their Gaseous Diffusion Plant in Paducah, Kentucky (PGDP -- Subcontract No. 19P-JV649V). The overall purpose of the program is to mitigate the loss of life and property in the event of a major destructive earthquake. The program includes four distinct (yet integrated) components: an emergency management plan, with emphasis on the catastrophic earthquake; an Emergency Operations Center Duty Roster Manual; an Integrated Automated Emergency Management Information System (IAEMIS); and a series of five training program modules. The PLAN itself is comprised of four separate volumes: Volume I -- Chapters 1--3; Volume II -- Chapters 4--6, Volume III -- Chapter 7, and Volume IV -- 23 Appendices. The EOC Manual (which includes 15 mutual aid agreements) is designated as Chapter 7 in the PLAN and is a stand alone'' document numbered as Volume III. This document, Volume II, discusses methodology, engineering and environmental analyses, and operational procedures.
Socolof, M.L.; McCold, L.N.; Saylor, R.E.
1997-01-01
Three gaseous diffusion plants (GDPs) for enriching uranium maintain a large inventory of chlorofluorocarbon-114 (CFC-114) as a coolant. To address the continued use of CFC-114, an ozone-depleting substance, the US Department of Energy (DOE) considered introducing perfluorocarbons (PFCs) by the end of 1995. These PFCs would not contribute to stratospheric ozone depletion but would be larger contributors to global warming than would CFC-114. The paper reports the results of an assessment of the global impacts of four alternatives for modifying GDP coolant system operations over a three-year period beginning in 1996. The overall contribution of GDP coolant releases to impacts on ozone depletion and global warming were quantified by parameters referred to as ozone-depletion impact and global-warming impact. The analysis showed that these parameters could be used as surrogates for predicting global impacts to all resources and could provide a framework for assessing environmental impacts of a permanent coolant replacement, eliminating the need for subsequent resource-specific analyses.
Oak Ridge Gaseous Diffusion Plant Biological Monitoring and Abatement Program for Mitchell Branch
Loar, J.M.; Adams, S.M.; Kszos, L.A.; Ryon, M.G.; Smith, J.G.; Southworth, G.R.; Stewart, A.J.
1992-01-01
A proposed Biological Monitoring and Abatement Program (BMAP) for the Oak Ridge Gaseous Diffusion Plant (ORGDP; currently the Oak Ridge K-25 Site) was prepared in December 1986, as required by the modified National Pollutant Discharge Elimination System (NPDES) permit that was issued on September 11, 1986. The effluent discharges to Mitchell Branch are complex, consisting of trace elements, organic chemicals, and radionuclides in addition to various conventional pollutants. Moreover, the composition of these effluent streams will be changing over time as various pollution abatement measures are implemented over the next several years. Although contaminant inputs to the stream originate primarily as point sources from existing plant operations, area sources, such as the classified burial grounds and the K-1407-C holding pond, can not be eliminated as potential sources of contaminants. The proposed BMAP consists of four tasks. These tasks include (1) ambient toxicity testing, (2) bioaccumulation studies, (3) biological indicator studies, and (4) ecological surveys of the benthic invertebrate and fish communities. BMAP will determine whether the effluent limits established for ORGDP protect the designated use of the receiving stream (Mitchell Branch) for growth and propagation of fish and aquatic life. Another objective of the program is to document the ecological effects resulting from various pollution abatement projects, such as the Central Neutralization Facility.
NASA Astrophysics Data System (ADS)
Tripathi, A. K.; Singhal, R. P.; Khazanov, G. V.; Avanov, L. A.
2016-04-01
Electron pitch angle (Dαα) and momentum (Dpp) diffusion coefficients have been calculated due to resonant interactions with electrostatic electron cyclotron harmonic (ECH) and whistler mode chorus waves. Calculations have been performed at two spatial locations L = 4.6 and 6.8 for electron energies ≤10 keV. Landau (n = 0) resonance and cyclotron harmonic resonances n = ±1, ±2, … ±5 have been included in the calculations. It is found that diffusion coefficient versus pitch angle (α) profiles show large dips and oscillations or banded structures. The structures are more pronounced for ECH and lower band chorus (LBC) and particularly at location 4.6. Calculations of diffusion coefficients have also been performed for individual resonances. It is noticed that the main contribution of ECH waves in pitch angle diffusion coefficient is due to resonances n = +1 and n = +2. A major contribution to momentum diffusion coefficients appears from n = +2. However, the banded structures in Dαα and Dpp coefficients appear only in the profile of diffusion coefficients for n = +2. The contribution of other resonances to diffusion coefficients is found to be, in general, quite small or even negligible. For LBC and upper band chorus waves, the banded structures appear only in Landau resonance. The Dpp diffusion coefficient for ECH waves is one to two orders smaller than Dαα coefficients. For chorus waves, Dpp coefficients are about an order of magnitude smaller than Dαα coefficients for the case n ≠ 0. In case of Landau resonance, the values of Dpp coefficient are generally larger than the values of Dαα coefficients particularly at lower energies. As an aid to the interpretation of results, we have also determined the resonant frequencies. For ECH waves, resonant frequencies have been estimated for wave normal angle 89° and harmonic resonances n = +1, +2, and +3, whereas for whistler mode waves, the frequencies have been calculated for angle 10° and Landau
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.
Effective diffusion coefficient of a Brownian particle in a periodically expanded conical tube
Antipov, Anatoly E.; Barzykin, Alexander V.; Berezhkovskii, Alexander M.; Makhnovskii, Yurii A.; Zitserman, Vladimir Yu.; Aldoshin, Sergei M.
2016-01-01
Diffusion in a tube of periodically varying diameter occurs slower than that in a cylindrical tube because diffusing particles get trapped in wells of the periodic entropy potential which is due to variation of the tube cross-section area. To quantify the slowdown one has to establish a relation between the effective diffusion coefficient of the particle and the tube geometry, which is a very complicated problem. Here we show how to overcome the difficulties in the case of a periodically expanded conical tube, where we find an approximate solution for the effective diffusion coefficient as a function of the parameters determining the tube geometry. PMID:24329385
Garcia-Ratés, Miquel; de Hemptinne, Jean-Charles; Bonet Avalos, Josep; Nieto-Draghi, Carlos
2012-03-01
Mass diffusion coefficients of CO(2)/brine mixtures under thermodynamic conditions of deep saline aquifers have been investigated by molecular simulation. The objective of this work is to provide estimates of the diffusion coefficient of CO(2) in salty water to compensate the lack of experimental data on this property. We analyzed the influence of temperature, CO(2) concentration,and salinity on the diffusion coefficient, the rotational diffusion, as well as the electrical conductivity. We observe an increase of the mass diffusion coefficient with the temperature, but no clear dependence is identified with the salinity or with the CO(2) mole fraction, if the system is overall dilute. In this case, we notice an important dispersion on the values of the diffusion coefficient which impairs any conclusive statement about the effect of the gas concentration on the mobility of CO(2) molecules. Rotational relaxation times for water and CO(2) increase by decreasing temperature or increasing the salt concentration. We propose a correlation for the self-diffusion coefficient of CO(2) in terms of the rotational relaxation time which can ultimately be used to estimate the mutual diffusion coefficient of CO(2) in brine. The electrical conductivity of the CO(2)-brine mixtures was also calculated under different thermodynamic conditions. Electrical conductivity tends to increase with the temperature and salt concentration. However, we do not observe any influence of this property with the CO(2) concentration at the studied regimes. Our results give a first evaluation of the variation of the CO(2)-brine mass diffusion coefficient, rotational relaxation times, and electrical conductivity under the thermodynamic conditions typically encountered in deep saline aquifers. PMID:22292779
Quantitative mapping of the per‐axon diffusion coefficients in brain white matter
Kruggel, Frithjof; Alexander, Daniel C.
2015-01-01
Purpose This article presents a simple method for estimating the effective diffusion coefficients parallel and perpendicular to the axons unconfounded by the intravoxel fiber orientation distribution. We also call these parameters the per‐axon or microscopic diffusion coefficients. Theory and Methods Diffusion MR imaging is used to probe the underlying tissue material. The key observation is that for a fixed b‐value the spherical mean of the diffusion signal over the gradient directions does not depend on the axon orientation distribution. By exploiting this invariance property, we propose a simple, fast, and robust estimator of the per‐axon diffusion coefficients, which we refer to as the spherical mean technique. Results We demonstrate quantitative maps of the axon‐scale diffusion process, which has factored out the effects due to fiber dispersion and crossing, in human brain white matter. These microscopic diffusion coefficients are estimated in vivo using a widely available off‐the‐shelf pulse sequence featuring multiple b‐shells and high‐angular gradient resolution. Conclusion The estimation of the per‐axon diffusion coefficients is essential for the accurate recovery of the fiber orientation distribution. In addition, the spherical mean technique enables us to discriminate microscopic tissue features from fiber dispersion, which potentially improves the sensitivity and/or specificity to various neurological conditions. Magn Reson Med, 2015. Magn Reson Med 75:1752–1763, 2016. © 2015 The Authors. Magnetic Resonance in Medicine published by Wiley Periodicals, Inc. PMID:25974332
Diffusive limits of nonlinear hyperbolic systems with variable coefficients
NASA Astrophysics Data System (ADS)
Miyoshi, Hironari; Tsutsumi, Masayoshi
2016-09-01
We consider the initial-boundary value problem for a 2-speed system of first-order nonhomogeneous semilinear hyperbolic equations whose leading terms have a small positive parameter. Using energy estimates and a compactness lemma, we show that the diffusion limit of the sum of the solutions of the hyperbolic system, as the parameter tends to zero, verifies the nonlinear parabolic equation of the p-Laplacian type.
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. . 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.
Manzini, Gianmarco; Cangiani, Andrea; Sutton, Oliver
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.
Calculated diffusion coefficients and the growth rate of olivine in a basalt magma
NASA Technical Reports Server (NTRS)
Donaldson, C. H.
1975-01-01
Concentration gradients in glass adjacent to skeletal olivines in a basalt have been examined by electron probe. The glass is depleted in Mg, Fe, and Cr and enriched in Si, Al, Na, and Ca relative to that far from olivine. Ionic diffusion coefficients for the glass compositions are calculated from temperature, ionic radius and melt viscosity, using the Stokes-Einstein relation. At 1170 C, the diffusion coefficient of Mg(2+) ions in the basalt is 4.5 billionths sq cm per sec. Comparison with measured diffusion coefficients in a mugearite suggests this value may be 16 times too small. The concentration gradient data and the diffusion coefficients are used to calculate instantaneous olivine growth rates. Growth necessarily preceded emplacement such that the composition of the crystals plus the enclosing glass need not be that of a melt. The computed olivine growth rates are compatible with the rate of crystallization deduced for the Skaegaard intrusion.
Trapped-ion anomalous diffusion coefficient on the basis of single mode saturation
NASA Astrophysics Data System (ADS)
Koshi, Y.; Hatayama, A.; Ogasawara, M.
1982-03-01
Expressions of the anomalous diffusion coefficient due to the dissipative trapped ion instability (DTII) are derived for the case with and without the effect of magnetic shear. Derivation is made by taking into account of the single mode saturation of the DTII previously obtained numerically. In the absence of the shear effect, the diffusion coefficient is proportional to the squared effective collision frequency of the trapped ions times the squared minor radius of a torus and is much larger than the neoclassical ion heat conductivity. In the presence of the shear effect, the diffusion coefficient is much smaller than the Kadomtsev and Pogutse's value and is the same order of magnitude as the neoclassical ion heat conductivity. Dependences of the diffusion coefficient on the temperature and on the total particle number density are rather complicated due to the additional spectral cut-off.
Determination of the zincate diffusion coefficient and its application to alkaline battery problems
NASA Technical Reports Server (NTRS)
May, C. E.; Kautz, Harold E.
1978-01-01
The diffusion coefficient for the zincate ion at 24 C was found to be 9.9 X 10 to the minus 7th power squared cm per sec + or - 30 percent in 45 percent potassium hydroxide and 1.4 x 10 to the minus 7 squared cm per sec + or - 25 percent in 40 percent sodium hydroxide. Comparison of these values with literature values at different potassium hydroxide concentrations show that the Stokes-Einstein equation is obeyed. The diffusion coefficient is characteristic of the zincate ion (not the cation) and independent of its concentration. Calculations with the measured value of the diffusion coefficient show that the zinc concentration in an alkaline zincate half cell becomes uniform throughout in tens of hours by diffusion alone. Diffusion equations are derived which are applicable to finite size chambers. Details and discussion of the experimental method are also given.
Determination of the zincate diffusion coefficient and its application to alkaline battery problems
NASA Technical Reports Server (NTRS)
May, C. E.; Kautz, H. E.
1978-01-01
The diffusion coefficient for the zincate ion at 24 C was found to be 9.9 x 10 to the -7th power sq cm/sec + or - 30% in 45% potassium hydroxide and 1.4 x 10 to the -7th power sq cm/sec + or - 25% in 40% sodium hydroxide. Comparison of these values with literature values at different potassium hydroxide concentrations show that the Stokes-Einstein equation is obeyed. The diffusion coefficient is characteristic of the zincate ion (not the cation) and independent of its concentration. Calculations with the measured value of the diffusion coefficient show that the zinc concentration in an alkaline zincate half-cell becomes uniform throughout in tens of hours by diffusion alone. Diffusion equations are derived which are applicable to finite-size chambers. Details and discussion of the experimental method are also given.
Empirical time dependence of liquid self-diffusion coefficient in porous media.
Loskutov, V V
2012-03-01
A new method of finding experimental time dependence of the self-diffusion coefficient D(t) for fluid in the porous media is proposed. We investigate the time-dependent self-diffusion coefficient D(t) of random walkers in permeable porous media. D(t) is measured in pulse field gradient (PFG) experiments with fluid-saturated porous media of randomly packed spherical glass beads. In absence of the specific interactions between pore walls and a fluid we show that D(t) = (D(0) - D(∞))exp(-F√(D(0)t)/d) + D(∞), where D(0) is the diffusion constant in a bulk fluid, D(∞) is the asymptotical value of the diffusion coefficient for long diffusion times (t→∞), d is the bead diameter and F is the constant characterizing the geometry (the size and shape) pores.
FITTING OF THE DATA FOR DIFFUSION COEFFICIENTS IN UNSATURATED POROUS MEDIA
B. Bullard
1999-05-01
The purpose of this calculation is to evaluate diffusion coefficients in unsaturated porous media for use in the TSPA-VA analyses. Using experimental data, regression techniques were used to curve fit the diffusion coefficient in unsaturated porous media as a function of volumetric water content. This calculation substantiates the model fit used in Total System Performance Assessment-1995 An Evaluation of the Potential Yucca Mountain Repository (TSPA-1995), Section 6.5.4.
Note on coefficient matrices from stochastic Galerkin methods for random diffusion equations
Zhou Tao; Tang Tao
2010-11-01
In a recent work by Xiu and Shen [D. Xiu, J. Shen, Efficient stochastic Galerkin methods for random diffusion equations, J. Comput. Phys. 228 (2009) 266-281], the Galerkin methods are used to solve stochastic diffusion equations in random media, where some properties for the coefficient matrix of the resulting system are provided. They also posed an open question on the properties of the coefficient matrix. In this work, we will provide some results related to the open question.
Intrinsic diffusion coefficients and the vacancy flow factor in Dilute Cu-Zn Alloys
NASA Astrophysics Data System (ADS)
Hoshino, Kazutomo; Iijima, Yoshiaki; Hirano, Ken-Ichi
1982-07-01
Interdiffusion coefficients in copper-rich copper-zinc solid solutions containing up to 8 at. pct of Zn at 1168 K have been determined by Matano's analysis using semi-infinite diffusion couples consisting of pure copper and Cu-Zn alloys with Kirkendall markers. From the marker shift and Darken's relation, intrinsic diffusion coefficients, DZn and DCu, in the alloys containing 3.2 and 4.7 at. pct of Zn have been determined. Further, using thin plate couples, DZn and DCu in Cu alloys containing 0.9, 2.3, 3.5, and 4.6 at. pct of Zn at 1168 K have been determined by Heumann's method. The ratio of the intrinsic diffusion coefficients, DZn/DCu, has been found to be about two for all the compositions examined. Using the values of the intrinsic diffusion coefficient of copper at infinite dilution of zinc obtained by extrapolating the concentration dependence of DCu, and the self- and impurity diffusion coefficients in pure copper, the vacancy flow factor has been estimated to be - 0.22-0.15 +0.06 at 1168 K. By combining this value of the vacancy flow factor with the solute enhancement factor of solvent diffusion determined by Peterson and Rothman, the correlation factor for impurity diffusion of Zn in Cu at 1168 K has been evaluated to be 0.5, which is in good agreement with the value of 0.47 determined by Peterson and Rothman based on the isotope effect measurement.
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.
Evaluation of aqueous degreasers versus chlorinated solvents at the Paducah Gaseous Diffusion Plant
Gunn, D.
1988-10-31
Spent chlorinated solvents are produced mainly as a result of degreasing operations at several Paducah Gaseous Diffusion Plant (PGDP) locations. This waste is a listed hazardous waste under Resource Conservation and Recovery Act (RCRA) regulations (40 CFR 261). In addition, some of the solvents become contaminated with uranium which classifies the waste as a mixed waste for which no disposal method is currently available. Due to health and environmental concerns and the desire to minimize mixed and hazardous waste generation, degreasing operations in the plant were delineated and alternate nonhazardous solvents were evaluated for their suitability for replacing the chlorinated solvents. Metal cleanliness testing of eight aqueous degreasers using ultrasonic cleaning and immersion with agitation, and vapor degreasing with trichloroethylene (TCE) and 1,1,1-trichloroethane (TC-ane) was performed. Soils such as dust, fingerprints, lube oil, water-soluble oil, silicone grease, and petroleum-based grease were removed from Monel, copper, mild steel, aluminum, and phosphor bronze. Cleanliness was determined by estimating the surface energy of metal coupons before and after cleaning. A Kepner-Tregoe (KT) decision analysis was utilized to determine the three best multipurpose degreasers for the plant. Additional testing was performed on the top three selected degreasers to evaluate corrosive effects of the cleaning solutions (general surface corrosion and pitting), and to determine the compatability of any residual contamination with process gases. Corrosion testing was performed in an electrochemical corrosion tester. Cleaned coupons were exposed to uranium hexafluoride, fluorine, and chlorine trifluoride. In addition, metal cleanliness testing was conducted to evaluate the cleaning efficiency of parts cleaned in the field.
Martin, M.Z.
2003-05-01
In situ chemical oxidation through lance permeation (ISCO-LP) is an emerging remediation technology in which chemical oxidants (such as potassium or sodium permanganate) are delivered to the subsurface using vertical lance-like injectors. It is applicable to sites with oxidizable contaminants such as chlorinated solvents and fuel hydrocarbons. Because vertical lance injections can be deployed at relatively close spacing, ISCO-LP potentially can be used to clean-up contamination in low-permeability media. This document provides information that can help potential users determine whether ISCO-LP would apply to a particular environmental management problem. It contains a general description of the technology (Section 2), performance data from a field demonstration (Section 3), an assessment of technology applicability (Section 4), a summary of cost elements (Section 5), and a list of regulatory, environmental safety and health issues (Section 6). It is patterned after the Innovative Technology Summary Reports (ITSR) published by the Department of Energy's (DOE) Office of Science and Technology under the Subsurface Contaminants Focus Area (SCFA). As in the previously published ITSRs, the technology described in this report was developed through funding from SCFA. Most of the information contained in this report was obtained from a field demonstration of ISCO-LP conducted in July-August 2000 at DOE's Portsmouth Gaseous Diffusion Plant (PORTS). The field test was not completed due to an accident that caused a field worker serious injuries. Although performance assessment data are very limited, the field test highlighted important health and safety issues that must be considered by site managers and technology vendors interested in implementing ISCO-LP.
1995-10-01
The U.S. Department of Energy (DOE) proposes to sell 8,500 radioactively contaminated nickel ingots (9.350 short tons), currently in open storage at the Paducah Gaseous Diffusion Plant (PGDP), to Scientific Ecology Group, Inc. (SEG) for decontamination and resale on the international market. SEG would take ownership of the ingots when they are loaded for transport by truck to its facility in Oak Ridge, Tennessee. SEG would receive approximately 200 short tons per month over approximately 48 months (an average of 180 ingots per month). The nickel decontamination process specified in SEG`s technical proposal is considered the best available technology and has been demonstrated in prototype at SEG. The resultant metal for resale would have contamination levels between 0.3 and 20 becquerel per gram (Bq/g). The health hazards associated with release of the decontaminated nickel are minimal. The activity concentration of the end product would be further reduced when the nickel is combined with other metals to make stainless steel. Low-level radioactive waste from the SEG decontamination process, estimated to be approximately 382 m{sup 3} (12,730 ft), would be shipped to a licensed commercial or DOE disposal facility. If the waste were packaged in 0.23 m{sup 3}-(7.5 ft{sup 3}-) capacity drums, approximately 1,500 to 1,900 drums would be transported over the 48-month contract period. Impacts from the construction of decontamination facilities and the selected site are minimal.
Bingham, Eula; Ringen, Knut; Dement, John; Cameron, Wilfrid; McGowan, William; Welch, Laura; Quinn, Patricia
2006-09-01
Construction workers were and are considered temporary workers at many construction sites. Since World War II, large numbers of construction workers were employed at U.S. Department of Energy nuclear weapons sites for periods ranging from a few days to over 30 years. These workers performed tasks during new construction and maintenance, repair, renovation, and demolition of existing facilities. Such tasks may involve emergency situations, and may entail opportunities for significant radiation exposures. This paper provides data from interviews with more than 750 construction workers at two gaseous diffusion plants (GDPs) at Paducah, Kentucky, and Portsmouth, Ohio regarding radiation monitoring practices. The aim was to determine the extent to which workers believed they were monitored during tasks involving potential radiation exposures. The adequacy of monitoring practices is important for two reasons: (a) Protecting workers from exposures: Construction workers were employed by sub-contractors, and may frequently been excluded from safety and health programs provided to permanent employees; and (b) Supporting claims for compensation: The Energy Employees Occupational Illness Compensation Program Act (EEOICPA) requires dose reconstruction of radiation exposures for most workers who file a claim regarding cancer. The use of monitoring data for radiation to qualify a worker means that there should be valid and complete monitoring during the work time at the various nuclear plants or workers may be unfairly denied compensation. The worker interviews from Paducah and Portsmouth were considered especially useful because these sites were designated as Special Exposure Cohorts (SECs) and the workers did not have to have a dose reconstruction to qualify for compensation for most cancers. Therefore, their responses were less likely to be affected by compensation concerns. Interview questions included asking for information regarding whether monitoring was performed, how
Becker, D.L.; Green, D.J.; Lindquist, M.R.
1993-07-01
The Portsmouth Gaseous Diffusion Plant (PORTS) in Piketon, Ohio, is operated by Martin Marietta Energy Systems, Inc., through the US Department of Energy-Oak Ridge Operations Office (DOE-ORO) for the US Department of Energy-Headquarters, Office of Nuclear Energy. The PORTS conducts those operations that are necessary for the production, packaging, and shipment of uranium hexafluoride (UF{sub 6}). Uranium hexafluoride enriched uranium than 1.0 wt percent {sup 235}U shall be packaged in accordance with the US Department of Transportation (DOT) regulations of Title 49 CFR Parts 173 (Reference 1) and 178 (Reference 2), or in US Nuclear Regulatory Commission (NRC) or US Department of Energy (DOE) certified package designs. Concerns have been expressed regarding the various tiedown methods and condition of the trailers being used by some shippers/carriers for international transport of the UF{sub 6} cylinders/overpacks. Because of the concerns about international shipments, the US Department of Energy-Headquarters (DOE-HQ) Office of Nuclear Energy, through DOE-HQ Transportation Management Division, requested Westinghouse Hanford Company (Westinghouse Hanford) to review UF{sub 6} packaging tiedown and shipping practices used by PORTS, and where possible and appropriate, provide recommendations for enhancing these practices. Consequently, a team of two individuals from Westinghouse Hanford visited PORTS on March 5 and 6, 1990, for the purpose of conducting this review. The paper provides a brief discussion of the review activities and a summary of the resulting findings and recommendations. A detailed reporting of the is documented in Reference 4.
Diffusion Coefficients of n-Alkanes and Polyethylenes Filled with Zinc Oxide Nanoparticles
NASA Astrophysics Data System (ADS)
Ozisik, Rahmi; Mattice, Wayne L.; von Meerwall, Ernst
2003-03-01
The diffusion coefficients of various n-alkane and polyethylene samples filled with zinc oxide nanoparticles were measured with pulsed-gradient spin-echo (PGSE) NMR technique. The n-alkanes used in this study had carbon numbers ranging between 12 and 60. The number average molecular weights of the two polyethylene samples were 6200 and 13900 g/mol. The different size of zinc oxide used with spherical geometry. The experiments were performed with three different zinc oxide nanoparticles that had differing sizes. This study investigates the effects of the nanoparticle size and the molecular weight on the diffusion coefficient of the polymer chains. The results account for the restriction to diffusion due to detour and tortuosity effects, which differ for n-alkanes and polyethylene. Because the effective diffusion distance in the PGSE NMR experiments is larger than the size of the nanoparticles, the observed diffusivities represent asymptotic averages over multiple encounters between the diffusing molecules and the nanoparticles.
NASA Astrophysics Data System (ADS)
Wu, Qiong; Li, Shu-Suo; Ma, Yue; Gong, Sheng-Kai
2012-10-01
The diffusion coefficients of several alloying elements (Al, Mo, Co, Ta, Ru, W, Cr, Re) in Ni are directly calculated using the five-frequency model and the first principles density functional theory. The correlation factors provided by the five-frequency model are explicitly calculated. The calculated diffusion coefficients show their excellent agreement with the available experimental data. Both the diffusion pre-factor (D0) and the activation energy (Q) of impurity diffusion are obtained. The diffusion coefficients above 700 K are sorted in the following order: DAl > DCr > DCo > DTa > DMo > DRu > DW > DRe. It is found that there is a positive correlation between the atomic radius of the solute and the jump energy of Ni that results in the rotation of the solute-vacancy pair (E1). The value of E2-E1 (E2 is the solute diffusion energy) and the correlation factor each also show a positive correlation. The larger atoms in the same series have lower diffusion activation energies and faster diffusion coefficients.
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.
Calculation Of The Interdiffusion Coefficient In The Cu-Zn Diffusion Couple
NASA Astrophysics Data System (ADS)
Hoxha, Adhurim; Oettel, Heinrich; Heger, Dietrich
2010-01-01
A quantitative analysis of multiphase diffusion in Cu-Zn diffusion couple is presented. The analysis is based in using the concentration profiles provided by electron micro-beam analyzer. From the dependence of the square of phase thickness from annealing time, the growth constant for each phase in each annealing temperature can be calculated. Knowing the growth constant of γ and ɛ phases one can calculate the activation energy and the diffusion coefficient of the above mentioned intermetallic phases.
Mikuška, Pavel; Večeřa, Zbyněk; Bartošíková, Anna; Maenhaut, Willy
2012-02-10
A specially designed annular diffusion denuder for simultaneous removal of organic gaseous compounds and atmospheric oxidants in carbonaceous aerosol sampling is presented. Various kinds of denuder coatings were compared with respect to the collection efficiency of both organic gaseous compounds and NO(2) and ozone. The optimum sorbent is a mixture of activated charcoal and sulfite on molecular sieve. To ensure high collection efficiency over long-term field operation, two annular diffusion denuders are combined in series. The first half of the first denuder is filled with Na(2)SO(3) on molecular sieve (23 cm long layer) while the second half of the first denuder and the whole second denuder are filled with activated charcoal (the total length of the charcoal section is 67 cm). At a flow rate of 16.6 L min(-1), the collection efficiency of organic gaseous compounds and atmospheric oxidants in the annular diffusion denuder is better than 95%. Only small losses of aerosol particles (<3.6% in number concentration) were observed in the size range 0.12-2.26 μm. The annular diffusion denuder is compatible with the collection of aerosols on 47-mm diameter quartz fiber filters at a flow rate of 16.6 L min(-1). The use of this denuder enables one to sample carbonaceous aerosols on filters without positive sampling artefacts from volatile organic compounds and interferences from atmospheric oxidants. The annular diffusion denuder has been applied successfully for the sampling of carbonaceous aerosols during field campaigns of typically 1 month each at urban and forested sites in Europe.
Franco, Luís F M; Castier, Marcelo; Economou, Ioannis G
2016-08-28
Applying classical molecular dynamics simulations, we calculate the parallel self-diffusion coefficients of different fluids (methane, nitrogen, and carbon dioxide) confined between two {101̄4} calcite crystal planes. We have observed that the molecules close to the calcite surface diffuse differently in distinct directions. This anisotropic behavior of the self-diffusion coefficient is investigated for different temperatures and pore sizes. The ion arrangement in the calcite crystal and the strong interactions between the fluid particles and the calcite surface may explain the anisotropy in this transport property. PMID:27586936
NASA Astrophysics Data System (ADS)
Franco, Luís F. M.; Castier, Marcelo; Economou, Ioannis G.
2016-08-01
Applying classical molecular dynamics simulations, we calculate the parallel self-diffusion coefficients of different fluids (methane, nitrogen, and carbon dioxide) confined between two { 10 1 ¯ 4 } calcite crystal planes. We have observed that the molecules close to the calcite surface diffuse differently in distinct directions. This anisotropic behavior of the self-diffusion coefficient is investigated for different temperatures and pore sizes. The ion arrangement in the calcite crystal and the strong interactions between the fluid particles and the calcite surface may explain the anisotropy in this transport property.
Kalnin, Juris R.; Berezhkovskii, Alexander M.
2013-01-01
The Lifson-Jackson formula provides the effective free diffusion coefficient for a particle diffusing in an arbitrary one-dimensional periodic potential. Its counterpart, when the underlying dynamics is described in terms of an unbiased nearest-neighbor Markovian random walk on a one-dimensional periodic lattice is given by the formula obtained by Derrida. It is shown that the latter formula can be considered as a discretized version of the Lifson-Jackson formula with correctly chosen position-dependent diffusion coefficient. PMID:24320354
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.
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.
Entropy-scaling laws for diffusion coefficients in liquid metals under high pressures
Cao, Qi-Long Shao, Ju-Xiang; Wang, Fan-Hou; Wang, Pan-Pan
2015-04-07
Molecular dynamic simulations on the liquid copper and tungsten are used to investigate the empirical entropy-scaling laws D{sup *}=A exp(BS{sub ex}), proposed independently by Rosenfeld and Dzugutov for diffusion coefficient, under high pressure conditions. We show that the scaling laws hold rather well for them under high pressure conditions. Furthermore, both the original diffusion coefficients and the reduced diffusion coefficients exhibit an Arrhenius relationship D{sub M}=D{sub M}{sup 0} exp(−E{sub M}/K{sub B}T), (M=un,R,D) and the activation energy E{sub M} increases with increasing pressure, the diffusion pre-exponential factors (D{sub R}{sup 0} and D{sub D}{sup 0}) are nearly independent of the pressure and element. The pair correlation entropy, S{sub 2}, depends linearly on the reciprocal temperature S{sub 2}=−E{sub S}/T, and the activation energy, E{sub S}, increases with increasing pressure. In particular, the ratios of the activation energies (E{sub un}, E{sub R}, and E{sub D}) obtained from diffusion coefficients to the activation energy, E{sub S}, obtained from the entropy keep constants in the whole pressure range. Therefore, the entropy-scaling laws for the diffusion coefficients and the Arrhenius law are linked via the temperature dependence of entropy.
Styszko, Katarzyna; Kupiec, Krzysztof
2016-10-01
In this study the diffusion coefficients of isoproturon, diuron and cybutryn in acrylate and silicone resin-based renders were determined. The diffusion coefficients were determined using measuring concentrations of biocides in the liquid phase after being in contact with renders for specific time intervals. The mathematical solution of the transient diffusion equation for an infinite plate contacted on one side with a limited volume of water was used to calculate the diffusion coefficient. The diffusion coefficients through the acrylate render were 8.10·10(-9) m(2) s(-1) for isoproturon, 1.96·10(-9) m(2) s(-1) for diuron and 1.53·10(-9) m(2) s(-1) for cybutryn. The results for the silicone render were lower by one order of magnitude. The compounds with a high diffusion coefficient for one polymer had likewise high values for the other polymer. PMID:27391050
Narváez Valderrama, Jhon F; Baek, Kine; Molina, Francisco J; Allan, Ian J
2016-01-01
A film-stacking technique was used to estimate diffusion coefficients of polybrominated diphenyl ethers (PBDEs) in low density polyethylene (LDPE) and silicone rubber. Substantially higher PBDE diffusion coefficients were observed for silicone rubber (AlteSil™) than for LDPE. A much steeper decrease in LDPE diffusion coefficients was found with increasing PBDE molecular weight than that for silicone rubber. From a passive sampling point-of-view, this means that for equivalent polymer-water partition coefficients for these two materials, the mass transfer resistance for these substances in the LDPE will be significantly higher than that for silicone rubber. Boundary layer control of the uptake process for silicone rubber can be expected for PBDEs. With a microplastic perspective, the low diffusion coefficients of PBDEs and in particular of decabromo diphenyl ether (BDE 209) in LDPE imply that the polymer diffusion coefficients for these plastic additives used as flame retardants need to be taken into account when considering the risk posed by microplastic particle ingestion by marine organisms.
Narváez Valderrama, Jhon F; Baek, Kine; Molina, Francisco J; Allan, Ian J
2016-01-01
A film-stacking technique was used to estimate diffusion coefficients of polybrominated diphenyl ethers (PBDEs) in low density polyethylene (LDPE) and silicone rubber. Substantially higher PBDE diffusion coefficients were observed for silicone rubber (AlteSil™) than for LDPE. A much steeper decrease in LDPE diffusion coefficients was found with increasing PBDE molecular weight than that for silicone rubber. From a passive sampling point-of-view, this means that for equivalent polymer-water partition coefficients for these two materials, the mass transfer resistance for these substances in the LDPE will be significantly higher than that for silicone rubber. Boundary layer control of the uptake process for silicone rubber can be expected for PBDEs. With a microplastic perspective, the low diffusion coefficients of PBDEs and in particular of decabromo diphenyl ether (BDE 209) in LDPE imply that the polymer diffusion coefficients for these plastic additives used as flame retardants need to be taken into account when considering the risk posed by microplastic particle ingestion by marine organisms. PMID:26678428
Diffusion Coefficient and Electric Field Studies for HSX using Monte Carlo Methods
NASA Astrophysics Data System (ADS)
Gerhardt, S. P.; Talmadge, J. N.
1999-11-01
The HSX experiment has a magnetic field spectrum which closely approximates helical symmetry. Never the less, symmetry breaking terms are present which lead to asymmetric diffusion. Models for the asymmetric component of the monoenergetic diffusion coefficient are unable to account for all the terms in the HSX magnetic spectrum and the functional dependence on the radial electric field (Er). To model the diffusion coefficient as a function of Er and collisionality, Monte Carlo simulations have been made for different values of Er and background density. These results are fit to analytic models for the diffusion coefficient. Enforcing ambipolarity on these fluxes can lead to a calculation of the stellarator Er. To measure Er, we will use a spectroscopic system to measure impurity flow. A 1-meter spectrometer with a CCD detector has been purchased for this purpose; a LabVIEW control system has been implemented and collection optics designed. Details of the spectroscopic system will be presented.
Diffusion coefficient measurement by the "stop-flow" method in a 5% collagen gel.
Shaw, M; Schy, A
1981-01-01
We measured the translational bulk diffusion coefficient (D) of solute in a collagen gel column of 5% concentration (wt/wt) by a new, noninvasive method applicable to a wide range of solutes and gels. The system also enabled measurement of solute partition coefficients and convective flow velocity since the gel was contained within a chromatography column. The spread of diffusing solute in the gel column is measured during an interval of stopped flow in this method. Experimentally determined values of D/D degrees (free aqueous diffusion coefficient) ranged from 0.24 (3H2O) to 0.13 (ovalbumin) as anticipated by observations of other investigators from interstitium in heart and mesentery, but were significantly smaller than predicted by the widely used Ogston gel model with parameters extracted from partition coefficient data. PMID:7248468
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
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.
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.
NASA Astrophysics Data System (ADS)
Rosenberg, E.; Kellner, Robert A.
1992-03-01
During the past few years, the importance of membranes in chemical and biotechnological applications, such as separation processes and biosensor construction, has dramatically increased. As a consequence, membrane properties have to be characterized very thoroughly with special respect to diffusivity and selectivity. Whereas most techniques for the determination of diffusion coefficients require sophisticated and often indirect methods for the detection of the analyte diffusing through the membrane, which generally do not allow monitoring of the diffusion process continuously, we present in this work an experimentally simple and straightforward method employing FTIR-ATR spectroscopy. The diffusion of glucose into a PVA membrane is chosen as a model example for the determination of carbohydrates in polymer matrices due to its special relevance in biosensor construction. The method is based on monitoring the time-dependent change in absorption due to the diffusion of the glucose into the polymer membrane. After reaching a steady-state, the normalized absorbance plot (A/A(infinity) ) versus time can be used for numerical evaluation. The diffusion coefficient is determined by comparing the experimental with simulated data using the membrane thickness (iota) and the diffusion coefficient D as simulation parameters. For this reason, the performance of a recursive and two non-recursive models for the description of the diffusion process is examined. Modifications in the second non-recursive algorithm finally resulted in very good agreement with the experimental data. This work marks the first application of IR-ATR spectroscopy for the determination of diffusion coefficients even as large as of the order of 10-6 cm2/sec.
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
Sublimation kinetics and diffusion coefficients of TNT, PETN, and RDX in air by thermogravimetry.
Hikal, Walid M; Weeks, Brandon L
2014-07-01
The diffusion coefficients of explosives are crucial in their trace detection and lifetime estimation. We report on the experimental values of diffusion coefficients of three of the most important explosives in both military and industry: TNT, PETN, and RDX. Thermogravimetric analysis (TGA) was used to determine the sublimation rates of TNT, PETN, and RDX powders in the form of cylindrical billets. The TGA was calibrated using ferrocene as a standard material of well-characterized sublimation rates and vapor pressures to determine the vapor pressures of TNT, PETN, and RDX. The determined sublimation rates and vapor pressures were used to indirectly determine the diffusion coefficients of TNT, PETN, and RDX for the first time. A linear log-log dependence of the diffusion coefficients on temperature is observed for the three materials. The diffusion coefficients of TNT, PETN, and RDX at 273 K were determined to be 5.76×10(-6)m(2)/sec, 4.94×10(-6)m(2)/s, and 5.89×10(-6)m(2)/s, respectively. Values are in excellent agreement with the theoretical values in literature.
A first-principles methodology for diffusion coefficients in metals and dilute alloys
NASA Astrophysics Data System (ADS)
Mantina, Manjeera
This work is a study exploring the extent of suitability of static first-principles calculations for studying diffusion in metallic systems. Specifically, vacancy-mediated volume diffusion in pure elements and alloys with dilute concentration of impurities is studied. A novel procedure is discovered for predicting diffusion coefficients that overcomes the shortcomings of the well-known transition state theory, by Vineyard. The procedure that evolves from Eyring's reaction rate theory yields accurate diffusivity results that include anharmonic effects within the quasi-harmonic approximation. Alongside, the procedure is straightforward in its application within the conventional harmonic approximation, from the results of static first-principles calculations. To prove the extensibility of the procedure, diffusivities have been computed for a variety of systems. Over a wide temperature range, the calculated self-diffusion and impurity diffusion coefficients using local density approximation (LDA) of density functional theory (DFT) are seen to be in excellent match with experimental data. Self-diffusion coefficients have been calculated for: (i) fcc Al, Cu, Ni and Ag (ii) bcc W and Mo (v) hcp Mg, Ti and Zn. Impurity diffusion coefficients have been computed for: (i) Mg, Si, Cu, Li, Ag, Mo and 3d transition elements in fcc Al (ii) Mo, Ta in bcc W and Nb, Ta and W in bcc Mo (iii) Sn and Cd in hcp Mg and Al in hcp Ti. It is also an observation from this work, that LDA does not require surface correction for yielding energetics of vacancy-containing system in good comparison with experiments, unlike generalized gradient approximation (GGA). It is known that first-principles' energy minimization procedures based on electronic interactions are suited for metallic systems wherein the valence electrons are freely moving. In this thesis, research has been extended to study suitability of first-principles calculations within LDA/GGA including the localization parameter U, for Al
Liu, Fei; Kolesov, Grigory; Parkinson, Bruce A.
2014-09-26
A simple and straightforward method for measuring diffusion coefficients using interdigitated array (IDA) electrodes is reported. The method does not require that the exact electrode area be known but depends only the size of the gap between the IDA electrode pairs. Electroactive molecules produced at the generator electrode of the IDA by a voltage step or scan can diffuse to the collector electrode and the time delay before the current for the reverse electrochemical reaction is detected at the collector is used to calculate the diffusion coefficient. The measurement of the diffusion rate of Ru(NH3)6+2 in aqueous solution has been used as an example measuring diffusion coefficients using this method. Additionally, a digital simulation of the electrochemical response of the IDA electrodes was used to simulate the entire current/voltage/time behavior of the system and verify the experimentally measured diffusion coefficients. This work was supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the Department of Energy, Office of Science, Office of Basic Energy Sciences.
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.
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.
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.
Modification of diffusion coefficients in MgO(100) through the chemical properties of implanted ions
NASA Astrophysics Data System (ADS)
Lu, M.; Lupu, C.; Lee, S. M.; Rabalais, J. W.
2001-07-01
Ti bulk diffusion coefficients have been determined for Ti in single crystal MgO(100) for four types of samples: Ti evaporated onto MgO and Ti evaporated onto MgO that was pre-bombarded with 7 keV Cl+, Ar+, and Cr+, respectively. Diffusion was induced by annealing to 1000 °C following the evaporation or pre-bombardment. Diffusion penetration profiles were obtained by using secondary ion mass spectrometry depth profiling techniques. A model that includes a depth-dependent bulk diffusion coefficient was used to analyze the observed radiation enhanced diffusion (RED) effects. The bulk diffusion coefficients are of the order of 10-20 m2/s and are enhanced due to the defect structure inflected by the ion pre-bombardment. Different RED effects for the samples pre-bombarded with Cl+, Ar+, and Cr+ were observed despite their very similar ballistic implantation parameters. The diffusion model was extended to include the effects of lattice deformation, requirement of electrical neutrality, and chemical effects such as volatile compound formation. This extended model satisfactorily explains the RED differences observed for Cl+, Ar+, and Cr+ implantation. Our results show that RED is strongly influenced by the chemical properties of implanted ions.
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
NASA Astrophysics Data System (ADS)
Shen, Jun; Zhou, Jianqin; Astrath, Nelson G. C.; Navessin, Titichai; Liu, Zhong-Sheng (Simon); Lei, Chao; Rohling, Jurandir H.; Bessarabov, Dmitri; Knights, Shanna; Ye, Siyu
In this work, using an in-house made Loschmidt diffusion cell, we measure the effective coefficient of dry gas (O 2-N 2) diffusion in cathode catalyst layers of PEM fuel cells at 25 °C and 1 atmosphere. The thicknesses of the catalyst layers under investigation are from 6 to 29 μm. Each catalyst layer is deposited on an Al 2O 3 membrane substrate by an automated spray coater. Diffusion signal processing procedure is developed to deduce the effective diffusion coefficient, which is found to be (1.47 ± 0.05) × 10 -7 m 2 s -1 for the catalyst layers. Porosity and pore size distribution of the catalyst layers are also measured using Hg porosimetry. The diffusion resistance of the interface between the catalyst layer and the substrate is found to be negligible. The experimental results show that the O 2-N 2 diffusion in the catalyst layers is dominated by the Knudsen effect.
Excess entropy scaling for the diffusion coefficient in expanded liquid metals.
Bretonnet, J L
2004-06-15
Molecular-dynamics simulation is used to compute the pair correlation function and the velocity autocorrelation function of Cs and Rb along the liquid-vapor coexistence curve, from which the excess entropy S(ex) and the diffusion coefficient D are deduced. The numerical results of both physical properties are correlated and a scaling law between the excess entropy and the reduced diffusion coefficient D(*)(=D/D(0)) is investigated for different expressions of the reduction parameter D(0). The choice of thermodynamic states along the liquid--vapor coexistence curve gives us the possibility to extend the investigation of the relation between the reduced diffusion coefficient and the excess entropy over a wide area and to test the adequacy of the scaling law confidently.
Wave-induced eddy diffusion coefficients in the upper atmosphere of Mars.
NASA Technical Reports Server (NTRS)
Beasley, W. H.; Hodges, R. R., Jr.
1973-01-01
A theory and method previously used to calculate terrestrial eddy diffusion coefficients due to instabilities in internal gravity waves have been extended to obtain wave-induced eddy diffusion coefficients in the upper atmosphere of Mars. If the Martian atmosphere is relatively dry (water vapor mixing ratio much less than .001), the effects of radiative damping are minimal for all but the longest-period waves. For greater concentrations of water vapor the effects of radiative damping are increased, but in any event it is reasonable to expect wave-induced turbulence, with eddy diffusion coefficients of the order of 10 to the 7th sq cm/sec in the Martian upper atmosphere.
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.
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, α, 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
Field-Scale Effective Matrix Diffusion Coefficient for FracturedRock: Results From Literature Survey
Zhou, Quanlin; Liu, Hui Hai; Molz, Fred J.; Zhang, Yingqi; Bodvarsson, Gudmundur S.
2005-03-28
Matrix diffusion is an important mechanism for solutetransport in fractured rock. We recently conducted a literature survey onthe effective matrix diffusion coefficient, Dem, a key parameter fordescribing matrix diffusion processes at the field scale. Forty fieldtracer tests at 15 fractured geologic sites were surveyed and selectedfor study, based on data availability and quality. Field-scale Dem valueswere calculated, either directly using data reported in the literature orby reanalyzing the corresponding field tracer tests. Surveyed dataindicate that the effective-matrix-diffusion-coefficient factor FD(defined as the ratio of Dem to the lab-scale matrix diffusioncoefficient [Dem]of the same tracer) is generally larger than one,indicating that the effective matrix diffusion coefficient in the fieldis comparatively larger than the matrix diffusion coefficient at therock-core scale. This larger value could be attributed to the manymass-transfer processes at different scales in naturally heterogeneous,fractured rock systems. Furthermore, we observed a moderate trend towardsystematic increase in the emDFmDDF value with observation scale,indicating that the effective matrix diffusion coefficient is likely tobe statistically scale dependent. The FD value ranges from 1 to 10,000for observation scales from 5 to 2,000 m. At a given scale, the FD valuevaries by two orders of magnitude, reflecting the influence of differingdegrees of fractured rock heterogeneity at different sites. In addition,the surveyed data indicate that field-scale longitudinal dispersivitygenerally increases with observation scale, which is consistent withprevious studies. The scale-dependent field-scale matrix diffusioncoefficient (and dispersivity) may have significant implications forassessing long-term, large-scale radionuclide and contaminant transportevents in fractured rock, both for nuclear waste disposal and contaminantremediation.
NASA Astrophysics Data System (ADS)
Nagai, Shingo
2013-11-01
We report estimation of the effective diffusion coefficient of moisture through a barrier coating to develop an encapsulation technology for the thin-film electronics industry. This investigation targeted a silicon oxide (SiOx) film that was deposited on a plastic substrate by a large-process-area web coater. Using the finite difference method based on diffusion theory, our estimation of the effective diffusion coefficient of a SiOx film corresponded to that of bulk glass that was previously reported. This result suggested that the low diffusivities of barrier films can be obtained on a mass-production level in the factory. In this investigation, experimental observations and mathematical confirmation revealed the limit of the water vapor transmission rate on the single barrier coating.
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 Astrophysics Data System (ADS)
Kopelevich, Oleg V.; Filippov, Yuri V.
1994-10-01
The goal of this work is to verify different spectral models of the diffuse attenuation and absorption coefficients of sea water and to work out a recommendation for their use. It is shown that the spectral models of the diffuse attenuation coefficient Kd((lambda) ) developed by Austin, Petzold, 1984 and by Volynsky, Sud'bin, 1992 correspond with each other, as well the models of Ivanov, Shemshura, 1973 and of Kopelevich, Shemshura, 1988 for calculation of the spectral absorption coefficient a((lambda) ) on the values of Kd((lambda) ). Theoretical foundation of the relation between a((lambda) ) and Kd((lambda) ) is given. The up-to-date physical model of the sea water light absorption is considered and checked by means of comparison with measured values of the attenuation coefficient at the ultraviolet and visible spectral ranges.
Health risk from earthquake caused releases of UF{sub 6} at the Paducah Gaseous Diffusion Plant
Brown, N.W; Lu, S.; Chen, J.C.; Roehnelt, R.; Lombardi, D.
1998-05-01
The health risk to the public and workers from potential exposure to the toxic materials from earthquake caused releases of uranium hexafluoride from the Paducah gaseous Diffusion Plant are evaluated. The results of the study show that the health risk from earthquake caused releases is small, and probably less than risks associated with the transportation of hydrogen fluoride and other similar chemicals used by industry. The probability of more than 30 people experiencing health consequences (injuries) from earthquake damage is less than 4xlO{sup 4}/yr.
A New Method for the Calculation of Diffusion Coefficients with Monte Carlo
NASA Astrophysics Data System (ADS)
Dorval, Eric
2014-06-01
This paper presents a new Monte Carlo-based method for the calculation of diffusion coefficients. One distinctive feature of this method is that it does not resort to the computation of transport cross sections directly, although their functional form is retained. Instead, a special type of tally derived from a deterministic estimate of Fick's Law is used for tallying the total cross section, which is then combined with a set of other standard Monte Carlo tallies. Some properties of this method are presented by means of numerical examples for a multi-group 1-D implementation. Calculated diffusion coefficients are in general good agreement with values obtained by other methods.
A relation between cosmic-ray fluctuations, gradient, and diffusion coefficient
NASA Technical Reports Server (NTRS)
Owens, A. J.; Jokipii, J. R.
1974-01-01
The motion of charged particles in a stochastic magnetic field is considered via a generalized quasi-linear expansion of Liouville's equation. The result is an equation relating cosmic-ray scintillations to particle gradients and to magnetic-field fluctuations (or diffusion coefficient). The resulting theory may be regarded as an example of a fluctuation-dissipation phenomenon, in which the diffusion coefficient plays the role of the dissipative parameter. The resonant interaction between particles and the random interplanetary magnetic field is considered explicitly, and it is shown that observed scintillations of high-energy (about 1 GeV) cosmic rays may be reasonably explained by the model.
NASA Technical Reports Server (NTRS)
Thomsen, M. F.; Goertz, C. K.; Van Allen, J. A.
1977-01-01
A method is derived for determining the radial diffusion coefficient from observed satellite effects of the inner Jovian satellites on the energetic particle fluxes. The method is based on data from L values which are significantly removed from the actual sweeping region. With regard to the large losses to the protons at Io's L shell, it is suggested that in addition to satellite sweepup, the losses may be associated with an enhanced precipitation due to resonant interaction with ion cyclotron waves near Io's orbit. It is noted that such additional loss mechanisms may also apply to electrons, and that such losses may significantly affect the estimated diffusion coefficient.
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.
Third-order transport properties of ion-swarms from mobility and diffusion coefficients
NASA Astrophysics Data System (ADS)
Koutselos, Andreas D.
2005-08-01
A method is presented for the calculation of third order transport properties of ions drifting in gases under the action of an electrostatic field with the use of mobility and ion-diffusion coefficients. The approach is based on a three-temperature treatment of the Boltzmann equation for the ion transport and follows the development of generalized Einstein relations (GER), between diffusion coefficients and mobility. The whole procedure is tested by comparison with numerical and molecular dynamics simulation results for three available alkali ion-noble gas systems. Extension to systems involving internal degrees of freedom and inelastic collisions is shown to follow the development of molecular GER.
ICP-MS measurement of diffusion coefficients of Cs in NBG-18 graphite
NASA Astrophysics Data System (ADS)
Carter, L. M.; Brockman, J. D.; Robertson, J. D.; Loyalka, S. K.
2015-11-01
Graphite is used in the HGTR/VHTR as moderator and it also functions as a barrier to fission product release. Therefore, an elucidation of transport of fission products in reactor-grade graphite is required. We have measured diffusion coefficients of Cs in graphite NBG-18 using the release method, wherein we infused spheres of NBG-18 with Cs and measured the release rates in the temperature range of 1090-1395 K. We have obtained: These seem to be the first reported values of Cs diffusion coefficients in NBG-18. The values are lower than those reported for other graphites in the literature.
NASA Astrophysics Data System (ADS)
Nasirabadi, P. Shojaee; Jabbari, M.; Hattel, J. H.
2016-06-01
Nowadays, many electronic systems are exposed to harsh conditions of relative humidity and temperature. Mass transport properties of electronic packaging materials are needed in order to investigate the influence of moisture and temperature on reliability of electronic devices. Polycarbonate (PC) is widely used in the electronics industry. Thus, in this work the water diffusion coefficient into PC is investigated. Furthermore, numerical methods used for estimation of the diffusion coefficient and their assumptions are discussed. 1D and 3D numerical solutions are compared and based on this, it is shown how the estimated value can be different depending on the choice of dimensionality in the model.
Suárez, Inmaculada; Coto, Baudilio
2015-08-14
Average molecular weights and polydispersity indexes are some of the most important parameters considered in the polymer characterization. Usually, gel permeation chromatography (GPC) and multi angle light scattering (MALS) are used for this determination, but GPC values are overestimated due to the dispersion introduced by the column separation. Several procedures were proposed to correct such effect usually involving more complex calibration processes. In this work, a new method of calculation has been considered including diffusion effects. An equation for the concentration profile due to diffusion effects along the GPC column was considered to be a Fickian function and polystyrene narrow standards were used to determine effective diffusion coefficients. The molecular weight distribution function of mono and poly disperse polymers was interpreted as a sum of several Fickian functions representing a sample formed by only few kind of polymer chains with specific molecular weight and diffusion coefficient. Proposed model accurately fit the concentration profile along the whole elution time range as checked by the computed standard deviation. Molecular weights obtained by this new method are similar to those obtained by MALS or traditional GPC while polydispersity index values are intermediate between those obtained by the traditional GPC combined to Universal Calibration method and the MALS method. Values for Pearson and Lin coefficients shows improvement in the correlation of polydispersity index values determined by GPC and MALS methods when diffusion coefficients and new methods are used.
Chemical diffusion coefficient of oxygen in thoria-urania mixed oxide
NASA Astrophysics Data System (ADS)
Matsui, Tsuneo; Naito, Keiji
1985-10-01
The chemical diffusion coefficients of oxygen ( D˜) in sintered samples of ( Th1- yUy) O2+ x ( y = 0.2 and 0.4) were measured by means of thermogravimetry in the temperature range 1282 ⩽ T ⩽ 1373 K. The defect diffusion coefficients ( Dd) were also calculated from the chemical diffusion coefficients obtained in this study. The activation energies of D˜ or Dd for the two samples ( Th1- yUy) O2+ xwithy = 0.2 and 0.4 were observed to be nearly the same, irrespective of the y value. These activation energies also nearly coincided with those of UO 2+x reported previously, suggesting the presence of a similar diffusion mechanism to that found in UO 2+x. The magnitude of both diffusion coefficients D˜ and Dd of ( Th1- yUy) O2+ x increased with increasing uranium content and approached that of UO 2+x. The increase of Dd of ( Th1- yUy) O2+ x with y value was considered to be due to the increase of both the vibrational frequency of lattice and the entropy change of migration produced by the substitution of a U ion for a Th ion.
NASA Astrophysics Data System (ADS)
Kruk, D.; Meier, R.; Rachocki, A.; Korpała, 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(ω) 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.
Kruk, D; Meier, R; Rachocki, A; Korpała, 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(ω) 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.
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
Zhou, Quanlin; Liu, Hui-Hai; Molz, Fred J; Zhang, Yingqi; Bodvarsson, Gudmundur S
2007-08-15
Matrix diffusion is an important mechanism for solute transport in fractured rock. We recently conducted a literature survey on the effective matrix diffusion coefficient, D(m)(e), a key parameter for describing matrix diffusion processes at the field scale. Forty field tracer tests at 15 fractured geologic sites were surveyed and selected for the study, based on data availability and quality. Field-scale D(m)(e) values were calculated, either directly using data reported in the literature, or by reanalyzing the corresponding field tracer tests. The reanalysis was conducted for the selected tracer tests using analytic or semi-analytic solutions for tracer transport in linear, radial, or interwell flow fields. Surveyed data show that the scale factor of the effective matrix diffusion coefficient (defined as the ratio of D(m)(e) to the lab-scale matrix diffusion coefficient, D(m), of the same tracer) is generally larger than one, indicating that the effective matrix diffusion coefficient in the field is comparatively larger than the matrix diffusion coefficient at the rock-core scale. This larger value can be attributed to the many mass-transfer processes at different scales in naturally heterogeneous, fractured rock systems. Furthermore, we observed a moderate, on average trend toward systematic increase in the scale factor with observation scale. This trend suggests that the effective matrix diffusion coefficient is likely to be statistically scale-dependent. The scale-factor value ranges from 0.5 to 884 for observation scales from 5 to 2000 m. At a given scale, the scale factor varies by two orders of magnitude, reflecting the influence of differing degrees of fractured rock heterogeneity at different geologic sites. In addition, the surveyed data indicate that field-scale longitudinal dispersivity generally increases with observation scale, which is consistent with previous studies. The scale-dependent field-scale matrix diffusion coefficient (and dispersivity
FIELD-SCALE EFFECTIVE MATRIX DIFFUSION COEFFICIENT FOR FRACTURED ROCK:RESULTS FROM LITERATURE SURVEY
Q. Zhou; Hui-Hai Liu; F.J. Molz; Y. Zhang; G.S. Bodvarsson
2005-04-08
Matrix diffusion is an important mechanism for solute transport in fractured rock. We recently conducted a literature survey on the effective matrix diffusion coefficient, D{sub m}{sup e}, a key parameter for describing matrix diffusion processes at the field scale. Forty field tracer tests at 15 fractured geologic sites were surveyed and selected for the study, based on data availability and quality. Field-scale D{sub m}{sup e} values were calculated, either directly using data reported in the literature or by reanalyzing the corresponding field tracer tests. Surveyed data indicate that the effective-matrix-diffusion-coefficient factor F{sub D} (defined as the ratio of D{sub m}{sup e} to the lab-scale matrix diffusion coefficient [D{sub m}] of the same tracer) is generally larger than one, indicating that the effective matrix diffusion coefficient in the field is comparatively larger than the matrix diffusion coefficient at the rock-core scale. This larger value can be attributed to the many mass-transfer processes at different scales in naturally heterogeneous, fractured rock systems. Furthermore, we observed a moderate trend toward systematic increase in the F{sub D} value with observation scale, indicating that the effective matrix diffusion coefficient is likely to be statistically scale dependent. The F{sub D} value ranges from 1 to 10,000 for observation scales from 5 to 2,000 m. At a given scale, the F{sub D} value varies by two orders of magnitude, reflecting the influence of differing degrees of fractured rock heterogeneity at different sites. In addition, the surveyed data indicate that field-scale longitudinal dispersivity generally increases with observation scale, which is consistent with previous studies. The scale-dependent field-scale matrix diffusion coefficient (and dispersivity) may have significant implications for assessing long-term, large-scale radionuclide and contaminant transport events in fractured rock, both for nuclear waste disposal
Role of surface energy coefficients and nuclear surface diffuseness in the fusion of heavy-ions
NASA Astrophysics Data System (ADS)
Dutt, Ishwar; Puri, Rajeev K.
2010-04-01
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.
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.
Self-Diffusion Coefficient of a Weakly Ionized Cesium Monatomic Gas. Symmetry Effects
NASA Astrophysics Data System (ADS)
Bouledroua, Moncef; Tahar Bouazza, M.
2006-11-01
The quantum-mechanical computation of the diffusion coefficient D begins with the determination of the singlet and triplet potential-energy curves which, in this work, separate asymptotically to Cs(6s)+Cs(6s). The knowledge of these potentials should lead to the determination of the phase shifts. Ignoring the identity of the interacting atoms, the cross section effective in diffusion is calculated for one molecular symmetry and the coefficient of diffusion is determined according to the Chapman-Enskog method. In reality, the colliding atoms are identical. Thus, the wave function of the diatomic system should be symmetrized. In such a case, quantum mechanics leads to symmetric and antisymmetric diffusion cross sections, as described by Karstic and Schultz, and the average diffusion cross section is recalculated by considering the Cs nuclear spin and the statistical weight of each molecular state. The evaluation of the self-diffusion coefficient of a dilute Cs gas is in a first step carried out without considering the symmetry effects. The results are compared with those of Nieto de Castro et al. The variation law with temperature of D are further analyzed when the symmetry effects are ignored/included.
Kilo, Martin; Taylor, Marcela A; Argirusis, Christos; Borchardt, Günter; Weber, Sylvain; Scherrer, Hubert; Jackson, Robert A
2004-09-15
The diffusion of all stable lanthanides was measured both in calcia stabilized zirconia (CSZ) and in yttria stabilized zirconia (YSZ) in the temperature range between 1,286 and 1,600 degrees C. The lanthanide diffusion coefficients obtained increase with increasing ionic radius. The experimental activation enthalpy of diffusion is near 6 eV for CSZ and between 4 and 5 eV for YSZ and is not strongly affected by the type of lanthanide. The results were correlated with defect energy calculations of the lanthanide diffusion enthalpy using the Mott-Littleton approach. An association enthalpy of cation vacancies with oxygen vacancies of about 1 eV (96 kJ/mol) was deduced in the case of CSZ, while there is no association in the case of YSZ. Furthermore, the change in diffusion coefficients can be correlated to the interaction parameter for the interaction between the lanthanide oxide with zirconia: The higher the interaction parameter, the higher the lanthanide diffusion coefficient.
NASA Astrophysics Data System (ADS)
Kilo, Martin; Taylor, Marcela A.; Argirusis, Christos; Borchardt, Günter; Weber, Sylvain; Scherrer, Hubert; Jackson, Robert A.
2004-09-01
The diffusion of all stable lanthanides was measured both in calcia stabilized zirconia (CSZ) and in yttria stabilized zirconia (YSZ) in the temperature range between 1286 and 1600 °C. The lanthanide diffusion coefficients obtained increase with increasing ionic radius. The experimental activation enthalpy of diffusion is near 6 eV for CSZ and between 4 and 5 eV for YSZ and is not strongly affected by the type of lanthanide. The results were correlated with defect energy calculations of the lanthanide diffusion enthalpy using the Mott-Littleton approach. An association enthalpy of cation vacancies with oxygen vacancies of about 1 eV (96 kJ/mol) was deduced in the case of CSZ, while there is no association in the case of YSZ. Furthermore, the change in diffusion coefficients can be correlated to the interaction parameter for the interaction between the lanthanide oxide with zirconia: The higher the interaction parameter, the higher the lanthanide diffusion coefficient.
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 α-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
Swift, Barry D.; Tarantino, Joseph J., P. E.
2003-02-27
The Paducah Gaseous Diffusion Plant (PGDP), owned by the Department of Energy (DOE), has been enriching uranium since the early 1950s. The enrichment process involves electrical and mechanical components that require periodic cleaning. The primary cleaning agent was trichloroethene (TCE) until the late 1980s. Historical documentation indicates that a mixture of TCE and dry ice were used at PGDP for testing the integrity of steel cylinders, which stored depleted uranium. TCE and dry ice were contained in a below-ground pit and used during the integrity testing. TCE seeped from the pit and contaminated the surrounding soil. The Lasagna{trademark} technology was identified in the Record of Decision (ROD) as the selected alternative for remediation of the cylinder testing site. A public-private consortium formed in 1992 (including DOE, the U.S. Environmental Protection Agency, and the Kentucky Department for Environmental Protection, Monsanto, DuPont, and General Electric) developed the Lasagna{trademark} technology. This innovative technology employs electrokinetics to remediate soil contaminated with organics and is especially suited to sites with low permeability soils. This technology uses direct current to move water through the soil faster and more uniformly than hydraulic methods. Electrokinetics moves contaminants in soil pore water through treatment zones comprised of iron filings, where the contaminants are decomposed to basic chemical compounds such as ethane. After three years of development in the laboratory, the consortium field tested the Lasagna{trademark} process in several phases. CDM installed and operated Phase I, the trial installation and field test of a 150-square-foot area selected for a 120-day run in 1995. Approximately 98 percent of the TCE was removed. CDM then installed and operated the next phase (IIa), a year-long test on a 600-square-foot site. Completed in July 1997, this test removed 75 percent of the total volume of TCE down to a
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
Measurement and modeling of CO2 diffusion coefficient in Saline Aquifer at reservoir conditions
NASA Astrophysics Data System (ADS)
Azin, Reza; Mahmoudy, Mohamad; Raad, Seyed Mostafa Jafari; Osfouri, Shahriar
2013-12-01
Storage of CO2 in deep saline aquifers is a promising techniques to mitigate global warming and reduce greenhouse gases (GHG). Correct measurement of diffusivity is essential for predicting rate of transfer and cumulative amount of trapped gas. Little information is available on diffusion of GHG in saline aquifers. In this study, diffusivity of CO2 into a saline aquifer taken from oil field was measured and modeled. Equilibrium concentration of CO2 at gas-liquid interface was determined using Henry's law. Experimental measurements were reported at temperature and pressure ranges of 32-50°C and 5900-6900 kPa, respectively. Results show that diffusivity of CO2 varies between 3.52-5.98×10-9 m2/s for 5900 kPa and 5.33-6.16×10-9 m2/s for 6900 kPa initial pressure. Also, it was found that both pressure and temperature have a positive impact on the measures of diffusion coefficient. Liquid swelling due to gas dissolution and variations in gas compressibility factor as a result of pressure decay was found negligible. Measured diffusivities were used model the physical model and develop concentration profile of dissolved gas in the liquid phase. Results of this study provide unique measures of CO2 diffusion coefficient in saline aquifer at high pressure and temperature conditions, which can be applied in full-field studies of carbon capture and sequestration projects.
Thermodiffusion, molecular diffusion and Soret coefficients of aromatic+n-alkane binary mixtures
NASA Astrophysics Data System (ADS)
Larrañaga, Miren; Bou-Ali, M. Mounir; Lapeira, Estela; Lizarraga, Ion; Santamaría, Carlos
2016-10-01
In the present work, we have measured the thermodiffusion coefficient of 51 binary liquid mixtures at 25 oC. These mixtures correspond to the series of the aromatics toluene and 1-methylnaphthalene with n-alkanes nCi (i = 6, 8, 10, 12, and 14) at different mass fractions in the whole range. For that, we have used the thermogravitational technique. It is shown that the thermodiffusion coefficient is a linear function of the mass fraction in all the mixtures. Extrapolating the lines, we obtain the thermodiffusion coefficient in dilute solutions of n-alkanes for both toluene and 1-methylnaphthalene. These limiting values show a linear dependence with the inverse of the product of the molecular weights. In addition, we have measured the molecular diffusion coefficient of all the mixtures at 0.5 of mass fraction and at 25 oC, by the sliding symmetric tubes technique. It is observed that the product of this coefficient with the viscosity at the same concentrations takes a constant value for each of the series considered. Finally, we have also determined the Soret coefficient of the equimass mixtures by the combination of the measurements of thermodiffusion and molecular diffusion coefficients.
Although detailed thermodynamic analyses of the 2-pK diffuse layer surface complexation model generally specify bound site activity coefficients for the purpose of accounting for those non-ideal excess free energies contributing to bound site electrochemical potentials, in applic...
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.
Effective diffusion coefficients of gas mixture in heavy oil under constant-pressure conditions
NASA Astrophysics Data System (ADS)
Li, Huazhou Andy; Sun, Huijuan; Yang, Daoyong
2016-09-01
We develop a method to determine the effective diffusion coefficient for each individual component of a gas mixture in a non-volatile liquid (e.g., heavy oil) at high pressures with compositional analysis. Theoretically, a multi-component one-way diffusion model is coupled with the volume-translated Peng-Robinson equation of state to quantify the mass transfer between gas and liquid (e.g., heavy oil). Experimentally, the diffusion tests have been conducted with a PVT setup for one pure CO2-heavy oil system and one C3H8-CO2-heavy oil system under constant temperature and pressure, respectively. Both the gas-phase volume and liquid-phase swelling effect are simultaneously recorded during the measurement. As for the C3H8-CO2-heavy oil system, the gas chromatography method is employed to measure compositions of the gas phase at the beginning and end of the diffusion measurement, respectively. The effective diffusion coefficients are then determined by minimizing the discrepancy between the measured and calculated gas-phase composition at the end of diffusion measurement. The newly developed technique can quantify the contributions of each component of mixture to the bulk mass transfer from gas into liquid. The effective diffusion coefficient of C3H8 in the C3H8-CO2 mixture at 3945 ± 20 kPa and 293.85 K, i.e., 18.19 × 10^{ - 10} m^{ 2} / s, is found to be much higher than CO2 at 3950 ± 18 kPa and 293.85 K, i.e., 8.68 × 10^{ - 10} m^{ 2} / s. In comparison with pure CO2, the presence of C3H8 in the C3H8-CO2 mixture contributes to a faster diffusion of CO2 from the gas phase into heavy oil and consequently a larger swelling factor of heavy oil.
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.
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 Σ+ 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%.
On the estimation of the coefficient of variation for anisotropic diffusion speckle filtering.
Aja-Fernández, Santiago; Alberola-López, Carlos
2006-09-01
In this paper, we focus on the problem of speckle removal by means of anisotropic diffusion and, specifically, on the importance of the correct estimation of the statistics involved. First, we derive an anisotropic diffusion filter that does not depend on a linear approximation of the speckle model assumed, which is the case of a previously reported filter, namely, SRAD. Then, we focus on the problem of estimation of the coefficient of variation of both signal and noise and of noise itself. Our experiments indicate that neighborhoods used for parameter estimation do not need to coincide with those used in the diffusion equations. Then, we show that, as long as the estimates are good enough, the filter proposed here and the SRAD perform fairly closely, a fact that emphasizes the importance of the correct estimation of the coefficients of variation.
Group-Theoretical Calculation of the Diffusion Coefficient via the Vacancy-Assisted Mechanism
NASA Astrophysics Data System (ADS)
Okamoto, Ryuichi; Fujitani, Youhei
2005-09-01
Lower vacancy-density in a crystalline solid slows down the tracer diffusion via the vacancy-assisted mechanism, which can be modeled by means of particles hopping to their respective nearest-neighbor lattice-sites stochastically with double occupancy prohibited. The explicit expressions of the diffusion coefficient were previously obtained for various lattices in terms of Nakazato and Kitahara’s method [Prog. Theor. Phys. 64 (1980) 2261]. This method yields a set of linear simultaneous algebraic equations as many as the number of lattice sites, which is reduced to a simple equation with respect to the diffusion coefficient in the final step of the method. We here give a systematic way of the reduction in terms of the group theory.
Effect of computed horizontal diffusion coefficients on two-dimensional N2O model distributions
NASA Technical Reports Server (NTRS)
Jackman, Charles H.; Guthrie, Paul D.; Schoeberl, Mark R.; Newman, Paul A.
1988-01-01
The effects of horizontal diffusion coefficients K(yy) and K(yz), computed directly from the residual circulation, on the N2O distribution in a photochemical model were investigated, using a modified version of the two-dimensional model of Guthrie et al. (1984). The residual circulation was computed using the NMC's temperature data and the heating rates reported by Rosenfield et al. (1987). As compared with the effect of the residual circulation alone, the use of horizontal diffusion coefficients produced substantial changes in the N2O distribution and increased the N2O's lifetime values by a few percent. It is suggested that trace gases, such as CH4, CFCl3, CF2Cl2, CH3Cl, and CCl4, which impact the NO(x), HO(x), and Cl(x) radical distributions and therefore ozone, will be influenced in a similar manner by the addition of more realistic diffusion fields.
Ionization dynamics in ionic liquids probed via self-diffusion coefficient measurements
NASA Astrophysics Data System (ADS)
Mao, Yougang; Damodaran, Krishnan
2014-08-01
Ionic liquids contain ions and ion pairs with fast exchange between them. We propose a novel process to deduce the fraction of ions present in an ionic liquid and the equilibrium constants of ionization processes from measured ion self-diffusion coefficients using Pulsed Field Gradient (PFG) NMR. The enthalpy and entropy changes of ionization and ion self-diffusion processes are obtained for a series of ionic liquids using this method. These data were used to explain the interactions between cations and anions of ionic liquids. The interactions are also interpreted by the delocalization of the ion’s charge densities. The self-diffusion coefficients of cations and anions for measured ionic liquids are discussed.
Perko, Janez; Patel, Ravi A
2014-05-01
The paper presents an approach that extends the flexibility of the standard lattice Boltzmann single relaxation time scheme in terms of spatial variation of dissipative terms (e.g., diffusion coefficient) and stability for high Péclet mass transfer problems. Spatial variability of diffusion coefficient in SRT is typically accommodated through the variation of relaxation time during the collision step. This method is effective but cannot deal with large diffusion coefficient variations, which can span over several orders of magnitude in some natural systems. The approach explores an alternative way of dealing with large diffusion coefficient variations in advection-diffusion transport systems by introducing so-called diffusion velocity. The diffusion velocity is essentially an additional convective term that replaces variations in diffusion coefficients vis-à-vis a chosen reference diffusion coefficient which defines the simulation time step. Special attention is paid to the main idea behind the diffusion velocity formulation and its implementation into the lattice Boltzmann framework. Finally, the performance, stability, and accuracy of the diffusion velocity formulation are discussed via several advection-diffusion transport benchmark examples. These examples demonstrate improved stability and flexibility of the proposed scheme with marginal consequences on the numerical performance.
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.
Fickian Diffusion Coefficient of Binary Liquid Mixtures in a Thermogravitational Column
NASA Astrophysics Data System (ADS)
Valencia, J. J.; Bou-Ali, M. M.; Platten, J. K.; Ecenarro, O.; Madariaga, J. M.; Santamaría, C. M.
2007-09-01
By measuring the mass fraction difference between the top and the bottom of a thermogravitational column as a function of time, we show that this transient evolution of the separation toward its steady value gives the isothermal mass diffusion coefficient, at least in the validity limit of the Furry-Jones-Onsager theory, whereas the final steady separation produces the thermodiffusion coefficient. The following mixtures have been considered: water-ethanol (39.12 wt% ethanol), toluene-hexane (51.7 wt% toluene), and the three systems of the so-called “benchmark of Fontainebleau”, which are the three binaries composed of isobutylbenzene and/or dodecane and/or 1,2,3,4 tetrahydronaphthalene (50 wt% in each component for each case). The obtained results indicate that reliable values of the isothermal diffusion coefficient can be determined by using the thermogravitational method.
NASA Astrophysics Data System (ADS)
Yoshinobu, Tatsuo; Harada, Tetsuro; Iwasaki, Hiroshi
2000-04-01
The pH-imaging sensor is applied to visualization of ionic diffusion in an electrochemical system. Redistribution of the pH value due to diffusion of ions after electrolysis is measured to determine the diffusion coefficients of anions and cations. Dependence of the diffusion coefficient on the molecular weight of ions is investigated. Applicability of the pH-imaging sensor to quantitative analysis of dynamics in a chemical system is demonstrated.
Kozai, N; Inada, K; Kozaki, T; Sato, S; Ohashi, H; Banba, T
2001-02-01
Diffusion of neptunium (V) in compacted Na-montmorillonite was studied through the non-steady state diffusion method. In this study, two experimental attempts were carried out to understand the diffusion mechanism of neptunium. One was to establish the diffusion activation energy, which was then used to determine the diffusion process in the montmorillonite. The other was the measurement of the distribution of neptunium in the montmorillonite by a sequential batch extraction. The apparent diffusion coefficients of neptunium in the montmorillonite at a dry density of 1.0 Mg m-3 were from 3.7 x 10(-12) m2 s-1 at 288 K to 9.2 x 10(-12) m2 s-1 at 323 K. At a dry density of 1.6 Mg m-3, the apparent diffusion coefficients ranged between 1.5 x 10(-13) m2 s-1 at 288 K and 8.7 x 10(-13) m2 s-1 at 323 K. The activation energy for the diffusion of neptunium at a dry density of 1.0 Mg m-3 was 17.5 +/- 1.9 kJ mol-1. This value is similar to those reported for diffusion of other ions in free water, e.g., 18.4 and 17.4 kJ mol-1 for Na+ and Cl-, respectively. At a dry density of 1.6 Mg.m-3, the activation energy was 39.8 +/- 1.9 kJ mol-1. The change in the activation energy suggests that the diffusion process changes depending on the dry density of the compacted montmorillonite. A characteristic distribution profile was obtained by the sequential extraction procedure for neptunium diffused in compacted montmorillonite. The estimated fraction of neptunium in the pore water was between 3% and 11% at a dry density of 1.6 Mg m-3 and at a temperature of 313 K. The major fraction of the neptunium in the montmorillonite was identified as neptunyl ions sorbed on the outer surface of the montmorillonite. These findings suggested that the activation energy for diffusion and the distribution profile of the involved nuclides could become powerful parameters in understanding the diffusion mechanism.
A novel method to determine the diffusion coefficient of hydrogen ion in ruthenium oxide films
NASA Astrophysics Data System (ADS)
Yu, George T.; Yen, S. K.
2002-10-01
Hydrogen ion diffusion in ruthenium oxide film is of significant interest because of its importance in capacitor, sensor and catalyst applications. In this study, a method based on potential-pH response measurement was used to determine hydrogen ion diffusion in ruthenium oxide films. The drift in the potential-pH response is believed to be due to the hydrated layer, which affects hydrogen ion diffusion onto the oxide film of the pH sensor. Hydrogen ion diffusion coefficient of ruthenium oxide films obtained from this method was 6×10 -14 cm2/ s. The unique feature of the potential-pH response method is its relatively simple experimental procedure, which eliminates complications arising from surface related effects and/or presence of hydrogen traps in membrane such as those found in the conventional permeation method.
NASA Astrophysics Data System (ADS)
Petruk, V. G.; Ivanov, A. P.; Kvaternyuk, S. M.; Barun, V. V.
2016-03-01
We have designed an experimental setup, based on two integrating spheres, that lets us measure the optical diffuse reflectance spectra (diffuse reflection coefficient vs. wavelength) of human skin quickly under clinical conditions in vivo. For the wavelength interval 520-1100 nm, we give the values of the diffuse reflection coefficient for healthy tissue, skin with a benign nevus, and skin with a malignant melanoma for a large group of test subjects. We experimentally established a number of wavelengths in the red-near IR region of the spectrum which can be used for early differential diagnosis of nevi and melanoma in patient cancer screening. According to the Kramer-Welch test, the probability of the diffuse reflection coefficient for skin with melanoma and a nevus having different distributions is >0.94, and at many wavelengths it is >0.999. By solving the inverse problem, we estimated the changes in a number of structural and biophysical parameters of the tissue on going from healthy skin to nevus and melanoma. The results obtained can provide a basis for developing a clinical approach to identifying the risk of malignant transformation of the skin before surgery and histological analysis of the tissue.
Effect of gamma irradiation on the structural properties and diffusion coefficient in Co-Zn ferrite
NASA Astrophysics Data System (ADS)
Hemeda, O. M.; El-Saadawy, M.
2003-01-01
A series of samples of Co 1- xZn xFe 2O 4 were prepared by the usual ceramic technique where x=0.3,0.5,0.6, and 0.8. The samples were irradiated by Co 60 gamma source with a high dose equal to 10 6 rad/h. The diffusion coefficient of oxygen vacancies was estimated from DC conductivity measurements. It was noticed that the diffusion coefficient increased after gamma irradiation for all Zn 2+ concentrations. This could be explained on the basis of displacement of metal ions from its original sites under the effect of irradiation leaving behind it lattice vacancies which increase the diffusion coefficient. The concentration of lattice vacancies increased, whereas the activation energy of diffusion process decreased after irradiation. The lattice parameter of the studied samples increased due to the formation of ferrous ions under the ionizing effect of gamma radiation. These changes in some physical properties of the studied samples are useful for the detection of nuclear contamination of environmental atmosphere.
Kruk, D.; Meier, R.; Rössler, E. A.; Rachocki, A.; Korpała, A.; Singh, R. K.
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}(ω) 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.
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.
Smyre, J.L.; Moll, B.W.; King, A.L.
1996-06-01
Three gamma radiological surveys have been conducted under auspices of the ER Remote Sensing Program: (1) Oak Ridge Reservation (ORR) (1992), (2) Clinch River (1992), and (3) Portsmouth Gaseous Diffusion Plant (PORTS) (1993). In addition, the Remote Sensing Program has acquired the results of earlier surveys at Paducah Gaseous Diffusion Plant (PGDP) (1990) and PORTS (1990). These radiological surveys provide data for characterization and long-term monitoring of U.S. Department of Energy (DOE) contamination areas since many of the radioactive materials processed or handled on the ORR, PGDP, and PORTS are direct gamma radiation emitters or have gamma emitting daughter radionuclides. High resolution airborne gamma radiation surveys require a helicopter outfitted with one or two detector pods, a computer-based data acquisition system, and an accurate navigational positioning system for relating collected data to ground location. Sensors measure the ground-level gamma energy spectrum in the 38 to 3,026 KeV range. Analysis can provide gamma emission strength in counts per second for either gross or total man-made gamma emissions. Gross count gamma radiation includes natural background radiation from terrestrial sources (radionuclides present in small amounts in the earth`s soil and bedrock), from radon gas, and from cosmic rays from outer space as well as radiation from man-made radionuclides. Man-made count gamma data include only the portion of the gross count that can be directly attributed to gamma rays from man-made radionuclides. Interpretation of the gamma energy spectra can make possible the determination of which specific radioisotopes contribute to the observed man-made gamma radiation, either as direct or as indirect (i.e., daughter) gamma energy from specific radionuclides (e.g., cesium-137, cobalt-60, uranium-238).
The influence of ionic forces on the effective diffusion coefficient in fractured, porous chalk.
NASA Astrophysics Data System (ADS)
Kremer, K.; Reichert, B.
2005-12-01
Solute transport in fractured, highly porous chalk significantly depends on the diffusive mass transfer of substances between the mobile water in the fracture and the immobile water of the rock matrix. Matrix diffusion is an important transport mechanism and a central factor for the retardation of solutes. Until now, simple estimation methods for the diffusive behavior of substances such as Archie's law can only be applied to single substances. Multi-tracer experiments proved a mutual influence on the diffusion of ionic solutes thus leading to significant deviations in respect to the theoretically estimated effective diffusion coefficient D_e. An increase of ionic forces in the aqueous phase is often accompanied by a decrease of D_e for cations and an increase for anions. However, groundwater contamination usually consists of several pollutants in different mixtures. Besides ionic forces, effects of channeling and transport of colloids can result in incorrectly estimated D_e values and, hence, high inaccuracy in the modeling of contaminant transport in fractured porous media. In the context of a current DFG-project, the impact of ionic forces on D_e as well as the interaction of the diffusion of ionic ground water solutes in fractured chalk of Denmark (Cretaceous, Sigerslev) and Israel (Eocene, Negev desert) will be quantified to develop a procedure for an improved estimation of D_e in dependence of the ionic activity. Consequently, the well established Archie's law for the prediction of diffusivities on the basis of the total porosities will be modified by an extension term a. So far series of single-tracer through-diffusion experiments have been performed with potassium bromide in six different concentrations to quantify the concentration dependence on the matrix diffusion as well as to examine the influence of the ionic strength on the effective diffusion coefficients of ionic solutes. The simultaneously injected neutral deuterium serves as a reference tracer
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.
NASA Astrophysics Data System (ADS)
Mandl, S.; Rauschenbach, B.
2002-06-01
Expanded austenite, formed after nitrogen plasma immersion ion implantation or low energy nitriding of austenitic stainless, is characterized by a high nitrogen content CN of up to 20 at. % and an unusual fast diffusion, which in general cannot be described using a single diffusion coefficient. Here, the concentration dependent diffusivity is calculated for several experimental parameters and steel alloys. Two mathematical simplifications of the general diffusion theory, well justified for physical reasons, helped in solving the equations. First, a constant surface concentration was assumed, despite a constant nitrogen flux into the surface, and, second, only mobile nitrogen atoms in a stationary steel matrix were considered. Thus, it was possible to solve the Boltzmann-Matano equation and obtain the concentration dependent diffusion coefficient D(CN). In all cases, a step-like behavior, with a high value for high nitrogen contents and a low value for low ones, is found, with the transition point between a nitrogen concentration of 5 and 17 at. %, depending on the sample.
Calculating the diffusion coefficient for laser cooling of atoms with long-range collisions
NASA Astrophysics Data System (ADS)
Smith, A. M.; Burnett, K.; Cooper, J.
1992-10-01
A calculation of the collisional diffusion coefficient is made which estimates the effect of collisions in an optical trap. The theory is based on the method of Gordon and Ashkin [Phys. Rev. A 21, 1606 (1980)] and incorporates the equations derived by Smith and Burnett [J. Opt. Soc. Am. B 8, 1592 (1991)] to describe the interaction of two two-level atoms in a laser field. Results are obtained by using a nearest-neighbor model for the collisions and suggest a definite relationship between atomic density and collisional diffusion.
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.
Diffusion coefficients of Fokker-Planck equation for rotating dust grains in a fusion plasma
NASA Astrophysics Data System (ADS)
Bakhtiyari-Ramezani, M.; Mahmoodi, J.; Alinejad, N.
2015-11-01
In the fusion devices, ions, H atoms, and H2 molecules collide with dust grains and exert stochastic torques which lead to small variations in angular momentum of the grain. By considering adsorption of the colliding particles, thermal desorption of H atoms and normal H2 molecules, and desorption of the recombined H2 molecules from the surface of an oblate spheroidal grain, we obtain diffusion coefficients of the Fokker-Planck equation for the distribution function of fluctuating angular momentum. Torque coefficients corresponding to the recombination mechanism show that the nonspherical dust grains may rotate with a suprathermal angular velocity.
Diffusion coefficients of Fokker-Planck equation for rotating dust grains in a fusion plasma
Bakhtiyari-Ramezani, M. Alinejad, N.; Mahmoodi, J.
2015-11-15
In the fusion devices, ions, H atoms, and H{sub 2} molecules collide with dust grains and exert stochastic torques which lead to small variations in angular momentum of the grain. By considering adsorption of the colliding particles, thermal desorption of H atoms and normal H{sub 2} molecules, and desorption of the recombined H{sub 2} molecules from the surface of an oblate spheroidal grain, we obtain diffusion coefficients of the Fokker-Planck equation for the distribution function of fluctuating angular momentum. Torque coefficients corresponding to the recombination mechanism show that the nonspherical dust grains may rotate with a suprathermal angular velocity.
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
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.
Thermal diffusivity coefficient of glycerin determined on an acoustically levitated drop.
Ohsaka, K; Rednikov, A; Sadhal, S S
2002-10-01
We present a technique that can be used to determine the thermal diffusivity coefficient of undercooled liquids that exist at temperatures below their freezing points. The technique involves levitation of a small amount of liquid in the shape of a flattened drop using an acoustic levitator and heating it with a CO2 laser. The heated drop is then allowed to cool naturally by heat loss from the surface. Due to acoustic streaming, heat loss is highly non-uniform and appears to mainly occur at the drop circumference (equatorial region). This fact allows us to relate the heat loss rate with a heat transfer model to determine the thermal diffusion coefficient. We demonstrate the feasibility of the technique using glycerin drops as a model liquid. PMID:12446319
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.
Eddy diffusion coefficient for the atmosphere of Venus from radio scintillation measurements
NASA Technical Reports Server (NTRS)
Woo, R.; Ishimaru, A.
1981-01-01
Estimates are obtained of the vertical mass eddy diffusion coefficient of the Venus atmosphere in the region of turbulence near 60 km on the basis of radio scintillations observed during radio occultation by the atmosphere. The structure constant estimated from Pioneer Venus orbit 18 entrance radio occultation measurements is used, under the assumption that the turbulence is generated by wind-shear, to derive a value of 40,000 sq cm/sec for the vertical mass eddy diffusion coefficient, together with an energy dissipation rate of 20 sq cm/sec and a temperature fluctuation dissipation rate of 0.001 K-squared/sec. Results are noted to fall within the range measured for the earth's troposphere, however, indicate that small-scale turbulence is probably the dominant mechanism for vertical transport near the tropopause in the Venus atmosphere.
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.
NASA Astrophysics Data System (ADS)
Yuan Mou, Chung; Thacher, Thomas S.; Lin, Jeong-long
1983-07-01
A statistical mechanical theory of the self-diffusion coefficient of ions in solutions of simple electrolytes has been developed. Beginning with a generalized Langevin equation the self-diffusion coefficients of ions may be evaluated at the zero-frequency limit of the Laplace transform of the random force correlation function. We assume that the random force acting on the tagged ion may be separated into contributions from the solvent part, due to the surrounding solvent molecules and an ionic part due to all the other ions. Further, we assume that the evolution of the ionic random force is governed by the Smoluchowski operator. With these assumptions and using the Debye-Hückel pair correlation function, the Onsager limiting law may be derived. Numerical calculations using the HNC pair correlation function shows that our theory can describe experimental data of moderately concentrated solutions adequately.
Self-diffusion coefficients of ions in electrolyte solutions by nonequilibrium Brownian dynamics
NASA Astrophysics Data System (ADS)
Raineri, Fernando O.; Wood, Mark D.; Friedman, Harold L.
1990-01-01
The self-diffusion coefficients of the ions in a model electrolyte solution are calculated with a novel implementation of the nonequilibrium Brownian dynamics technique. The ions are coupled to an external color field E by color charges in such a way that each ionic species as a whole is electrically neutral to E. The ion-ion forces are not directly affected by the color charges or E. The method is tested on a model of a 1 M NaCl aqueous solution without hydrodynamic interactions and the results are compared with those of a previous equilibrium simulation for the same model system. The self-diffusion coefficients of Na+ and Cl- are determined with 2%-3% accuracy and, within this margin, agree with the results of the equilibrium simulation obtained with more than twice the computational effort. Furthermore, within the range of field strengths studied, the average color flows depend linearly on E.
Monte Carlo calculations of drift velocities and diffusion coefficients of Ar + ions in helium
NASA Astrophysics Data System (ADS)
Barata, J. A. S.; Conde, C. A. N.
2007-09-01
Results are presented for the calculated drift velocities and diffusion coefficients for Ar + ions in helium at atmospheric pressure, temperature T=300 K and for reduced electric fields E/ N from about 1 Td up to about 150 Td, using Monte Carlo techniques. The drift velocities range from 5.94×10 3 to 559.0×10 3 cm s -1 for the Ar + ions in the ground state 2P 3/2 and from 5.85×10 3 to 545.0×10 3 cm s -1 for the Ar + ions in the metastable excited state 2P 1/2. These values are in good agreement (within about 5%) with the few experimental values available. The mobilities and diffusion coefficients for atomic Ar + ions in helium gas show no significant dependence on the spin state of the ion.
Mialdun, A; Yasnou, V; Shevtsova, V; Königer, A; Köhler, W; Alonso de Mezquia, D; Bou-Ali, M M
2012-06-28
We report on the measurement of diffusion (D), thermodiffusion (D(T)), and Soret (S(T)) coefficients in water-isopropanol mixtures by three different instrumental techniques: thermogravitational column in combination with sliding symmetric tubes, optical beam deflection, and optical digital interferometry. All the coefficients have been measured over the full concentration range. Results from different instruments are in excellent agreement over a broad overlapping composition (water mass fraction) range 0.2 < c < 0.7, providing new reliable benchmark data. Comparison with microgravity measurements (SODI/IVIDIL (Selected Optical Diagnostic Instrument/Influence of VIbration on DIffusion in Liquids)) onboard the International Space Station and with literature data (where available) generally gives a good agreement. Contrary to theoretical predictions and previous experimental expectations we have not observed a second sign change of S(T) at low water concentrations.
Determination of the diffusion coefficient of protons in Nafion thin films by ac-electrogravimetry.
Sel, Ozlem; To Thi Kim, L; Debiemme-Chouvy, Catherine; Gabrielli, Claude; Laberty-Robert, Christel; Perrot, Hubert
2013-11-12
This letter deals with an adaptation of the ac-electrogravimetry technique to extract separately the dynamic properties of H(+) and water in Nafion nanometric thin films (average thickness of 400 nm). An original theoretical approach was developed to extract the representative parameters from ac-electrogravimetry data. The concentration change of the exchanged species and the diffusion coefficient of the protons in a Nafion nanometric thin film (D = 0.5 × 10(-6) cm(2) s(-1) at 0.3 V vs SCE) were estimated for the first time according to the applied potential. The conductivity value of Nafion thin films was calculated from the Nernst-Einstein equation using diffusion coefficients and concentration values extracted from ac-electrogravimetry data. The calculated conductivity results agree well with the experimental proton conductivity values of Nafion thin films. PMID:24131383
Aronson, A.L.; Gordon, D.M.
2000-07-31
IN APRIL 1996, THE UNITED STATES (US) ADDED THE PORTSMOUTH GASEOUS DIFFUSION PLANT TO THE LIST OF FACILITIES ELIGIBLE FOR THE APPLICATION OF INTERNATIONAL ATOMIC ENERGY AGENCY (IAEA) SAFEGUARDS. AT THAT TIME, THE US PROPOSED THAT THE IAEA CARRY OUT A ''VERIFICATION EXPERIMENT'' AT THE PLANT WITH RESPECT TO DOOWNBLENDING OF ABOUT 13 METRIC TONS OF HIGHLY ENRICHED URANIUM (HEU) IN THE FORM OF URANIUM HEXAFLUROIDE (UF6). DURING THE PERIOD DECEMBER 1997 THROUGH JULY 1998, THE IAEA CARRIED OUT THE REQUESTED VERIFICATION EXPERIMENT. THE VERIFICATION APPROACH USED FOR THIS EXPERIMENT INCLUDED, AMONG OTHER MEASURES, THE ENTRY OF PROCESS-OPERATIONAL DATA BY THE FACILITY OPERATOR ON A NEAR-REAL-TIME BASIS INTO A ''MAILBOX'' COMPUTER LOCATED WITHIN A TAMPER-INDICATING ENCLOSURE SEALED BY THE IAEA.
Jackson, G.D.
1987-10-01
The Paducah Environmental Advisory Committee was formed as: (1) an outgrowth of other Environmental Advisory Committees already in existence at Oak Ridge and other Martin Marietta Energy Systems plants; (2) a result of public concern following significant nuclear incidents at Bhopal and Chernobyl; (3) a result of the new direction and commitment of the management of the Paducah Gaseous Diffusion Plant following contract acquisition by Martin Marietta Energy Systems; and (4) a means of reducing and/or preventing local and/or public concern regarding the activities of and potential risks created by PGDP. This report discusses the following issues and concerns of the Committee arrived at through a series of meetings: (1) groundwater monitoring; (2) long-range tails storage; C-404, scrap yrads, and PCB and TCE cleanup; nuclear criticality plan and alarm systems; documentation of historical data regarding hazardous waste burial grounds; dosimeter badges; and asbestos handling and removal.
Wang, Xinke; Zhang, Yinping
2009-07-01
The initial mobile formaldehyde concentration, C(m,0); the partition coefficient, K; and the diffusion coefficient, D, of a dry building material are key parameters to characterize formaldehyde emissions from the building material. The solvent extraction method and direct thermal desorption method can overestimate C(m,0) because of high temperature. A new method has been developed to determine C(m,0) under similar conditions to common indoor environment, together with K and D. In the proposed method, the tested materials are placed in an airtight environmental chamber for which the temperature can be controlled by a water bath, then the materials undergo a multisorption/emission process and the instantaneous formaldehyde concentration in the chamber is recorded. The K and C(m,0) are determined from the equilibrium concentrations after every sorption by means of the linear least-square regression, and D is obtained by fitting the concentration at the emission stage into a mass-transfer-based model in the literature. Four kinds of wooden medium-density boards are tested. The C(m,0) measured using this method is the mobile formaldehyde concentration in the material, which differs significantly from the total formaldehyde concentration in the material measured by using the traditional method recommended by the Chinese standard (GB/T 17657-1999) extraction method. This means that the mobile formaldehyde takes only a small portion of the total quantity in the tested material. The K, D, and C(m,0) values measured using this new method are used to predict formaldehyde concentrations for sorption processes. The results agree well with experimental data. In addition, some factors influencing the accuracy are analyzed.
NASA Astrophysics Data System (ADS)
Borovkov, V. I.
2007-02-01
The diffusion coefficients of radical ions of hexafluorobenzene, diphenylacetylene, triptycene, and tetraphenylnaphthalene were measured in liquid n-hexane and n-hexadecane at different temperatures. These were compared with the literature values of the diffusion coefficients of the corresponding neutral molecules in these solvents. Typically, the relative change in the diffusion coefficients decreased with increasing the size of particles or the temperature of solutions. No evidence for a specific manifestation of the low solvent polarity in the relative change was observed. In the case of triptycene in hexadecane solution, the enhancement of the solute's diffusion caused by ionization was found.
NASA Astrophysics Data System (ADS)
Kujawa, Sebastian; Weres, Jerzy; Olek, Wiesław
2016-07-01
Uncertainties in mathematical modelling of water transport in cereal grain kernels during drying and storage are mainly due to implementing unreliable values of the water diffusion coefficient and simplifying the geometry of kernels. In the present study an attempt was made to reduce the uncertainties by developing a method for computer-aided identification of the water diffusion coefficient and more accurate 3D geometry modelling for individual kernels using original inverse finite element algorithms. The approach was exemplified by identifying the water diffusion coefficient for maize kernels subjected to drying. On the basis of the developed method, values of the water diffusion coefficient were estimated, 3D geometry of a maize kernel was represented by isoparametric finite elements, and the moisture content inside maize kernels dried in a thin layer was predicted. Validation of the results against experimental data showed significantly lower error values than in the case of results obtained for the water diffusion coefficient values available in the literature.
NASA Technical Reports Server (NTRS)
Gage, K. S.; Jasperson, W. H.
1977-01-01
An analysis is presented of the tropospheric turbulence data obtained by the Metrac positioning system, a radio location system which employs the Doppler principle to track inexpensive expendable balloon-borne transmitters. A Minneapolis field test of the Metrac system provided one-second samples of transmitter frequency from balloons tracked by four ground stations for more than an hour. The derivation of diffusion coefficients from the turbulence data was conducted by two methods, yielding highly consistent results.
Wang, Junmei; Hou, Tingjun
2011-01-01
In this work, we have evaluated how well the General AMBER force field (GAFF) performs in studying the dynamic properties of liquids. Diffusion coefficients (D) have been predicted for 17 solvents, 5 organic compounds in aqueous solutions, 4 proteins in aqueous solutions, and 9 organic compounds in non-aqueous solutions. An efficient sampling strategy has been proposed and tested in the calculation of the diffusion coefficients of solutes in solutions. There are two major findings of this study. First of all, the diffusion coefficients of organic solutes in aqueous solution can be well predicted: the average unsigned error (AUE) and the root-mean-square error (RMSE) are 0.137 and 0.171 ×10−5 cm−2s−1, respectively. Second, although the absolute values of D cannot be predicted, good correlations have been achieved for 8 organic solvents with experimental data (R2 = 0.784), 4 proteins in aqueous solutions (R2 = 0.996) and 9 organic compounds in non-aqueous solutions (R2 = 0.834). The temperature dependent behaviors of three solvents, namely, TIP3P water, dimethyl sulfoxide (DMSO) and cyclohexane have been studied. The major MD settings, such as the sizes of simulation boxes and with/without wrapping the coordinates of MD snapshots into the primary simulation boxes have been explored. We have concluded that our sampling strategy that averaging the mean square displacement (MSD) collected in multiple short-MD simulations is efficient in predicting diffusion coefficients of solutes at infinite dilution. PMID:21953689
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).
NASA Astrophysics Data System (ADS)
Kis, Arpad; Scholer, Manfred; Klecker, Berndt; Lucek, Elisabeth; Reme, Henry
2010-05-01
We present simultaneous multipoint observations of diffuse ions in front of the Earth's quasi-parallel bow shock. For the analysis we use data provided by the Cluster CIS-HIA particle instrument and data from FGM magnetic field instrument. Several individual diffuse ion events during various solar wind conditions are presented and analysed. The diffusion coefficients at each analysed upstream ion event present unique characteristics especially at lower diffuse ion energies (around 10 keV). We analyse in detail the reasons for the observed differences in the value of the diffusion coefficient; results are also compared with predictions of the theory and the reason for the eventual difference is explained.
NASA Technical Reports Server (NTRS)
Chow, M.; Houska, C. R.
1980-01-01
Solutions are given for one-dimensional diffusion problems with a time varying surface composition and also a composition dependent diffusion coefficient. The most general solution does not require special mathematical functions to fit the variation in surface composition or D(C). In another solution, a series expansion may be used to fit the time dependent surface concentration. These solutions make use of iterative calculations that converge rapidly and are highly stable. Computer times are much shorter than that required for finite difference calculations and can efficiently make use of interactive graphics terminals. Existing gas carburization data were used to provide an illustration of an iterative approach with a time varying carbon composition at the free surface.
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.
NASA Astrophysics Data System (ADS)
Mueller, James L.; Trees, Charles C.; Arnone, Robert A.
1990-09-01
The Coastal Zone Color Scannez (ZCS) and associated atmospheric and in-water algorithms have allowed synoptic analyses of regional and large scale variability of bio-optical properties [phytoplankton pigments and diffuse auenuation coefficient K(490)}. Austin and Petzold (1981) developed a robust in-water K(490) algorithm which related the diffuse attenuation coefficient at one optical depth [1/K(490)] to the ratio of the water-leaving radiances at 443 and 550 nm. Their regression analysis included diffuse attenuation coefficients K(490) up to 0.40 nm, but excluded data from estuarine areas, and other Case II waters, where the optical properties are not predominantly determined by phytoplankton. In these areas, errors are induced in the retrieval of remote sensing K(490) by extremely low water-leaving radiance at 443 nm [Lw(443) as viewed at the sensor may only be 1 or 2 digital counts], and improved cury can be realized using algorithms based on wavelengths where Lw(λ) is larger. Using ocean optical profiles quired by the Visibility Laboratory, algorithms are developed to predict K(490) from ratios of water leaving radiances at 520 and 670, as well as 443 and 550 nm.
Relation between Longitudinal and Transverse Diffusion Coefficients of Alkali Ions in Noble Gases
NASA Astrophysics Data System (ADS)
Hogan, M. J.
1997-10-01
The relation between longitudinal and transverse diffusion coefficients of ions drifting in a neutral gas under the influence of an electric field has been investigated for alkali ions in noble gases. The 125 combinations of ions of Li, Na, K, Rb, and Cs in the neutral gases He, Ne, Ar, Kr, and Xe at gas temperatures of 100, 200, 300, 400 and 500 K were included in this study. Plots of the ratio of the longitudinal-to-transverse diffusion coefficients versus E/N exhibited similar variation in the values of the ratios. As the value of E/N increased from zero, the value of the ratio increased rapidly from one for all ion/neutral/temperature combinations. The ratio peaked at values mostly in the range of 1.2 to 2.5 at E/N values in the range of 20 to 120 Td. As E/N increased further, the ratio values decreased, at an ever lower rate, to values ranging from 0.8 to 1.2. These results suggest the existence of a single function relating the longitudinal and transverse diffusion coefficients.
Tuan, D.Q.; Zollweg, J.A.; Rizvi, S.S.H.; Yener, M.E. |
1999-02-01
A new, steady-state experimental system for measurement of the Fickian diffusion coefficients for solutes in supercritical carbon dioxide (SC-CO{sub 2}) was designed and evaluated. Mass transfer between a liquid solute and SC-CO{sub 2} was carried out in a parallel plate geometry where a porous metal sheet, immersed in the liquid phase, stabilized the interface. The SC-CO{sub 2} flowed over the porous metal sheet containing the liquid phase which was presaturated with CO{sub 2}. The use of the porous metal sheet and a thin mobile layer allowed flow rates high enough to achieve the necessary pressure drop to eliminate the commonly encountered, density-induced stagnation of SC-CO{sub 2} at the interface while avoiding surface-tension-related problems. The binary diffusion coefficients of methyl oleate in SC-CO{sub 2} at finite concentrations were measured at 40, 50, and 60 C and at pressures ranging from 10.6 to 14.0 MPa. The experimentally measured values were 1.5--4.6 times lower than those predicted for infinite dilution and were found to decrease with solute concentration at constant pressure and temperature. This technique offers advantages over other commonly used methods in that the concentration dependence of diffusion coefficients in multicomponent systems can be studied.
Shcherbak, L.; Kopach, O.; Fochuk, P.; James, R. B.; Bolotnikov, A. E.
2015-01-21
Understanding of self- and dopant-diffusion in semiconductor devices is essential to our being able to assure the formation of well-defined doped regions. In this paper, we compare obtained in the literature up to date the Arrhenius’ parameters (D=D0exp(–ΔEa/kT)) of point-defect diffusion coefficients and the I-VII groups impurities in CdTe crystals and films. We found that in the diffusion process there was a linear dependence between the pre-exponential factor, D0, and the activation energy, ΔEa, of different species: This was evident in the self-diffusivity and isovalent impurity Hg diffusivity as well as for the dominant IIIA and IVA groups impurities andmore » Chlorine, except for the fast diffusing elements (e.g., Cu and Ag), chalcogens O, S, and Se, halogens I and Br as well as the transit impurities Mn, Co, Fe. As a result, reasons of the lack of correspondence of the data to compensative dependence are discussed.« less
Shcherbak, L.; Kopach, O.; Fochuk, P.; James, R. B.; Bolotnikov, A. E.
2015-01-21
Understanding of self- and dopant-diffusion in semiconductor devices is essential to our being able to assure the formation of well-defined doped regions. In this paper, we compare obtained in the literature up to date the Arrhenius’ parameters (D=D_{0}exp(–ΔE_{a}/kT)) of point-defect diffusion coefficients and the I-VII groups impurities in CdTe crystals and films. We found that in the diffusion process there was a linear dependence between the pre-exponential factor, D_{0}, and the activation energy, ΔE_{a}, of different species: This was evident in the self-diffusivity and isovalent impurity Hg diffusivity as well as for the dominant IIIA and IVA groups impurities and Chlorine, except for the fast diffusing elements (e.g., Cu and Ag), chalcogens O, S, and Se, halogens I and Br as well as the transit impurities Mn, Co, Fe. As a result, reasons of the lack of correspondence of the data to compensative dependence are discussed.
Renslow, Ryan S.; Majors, Paul D.; McLean, Jeffrey S.; Fredrickson, Jim K.; Ahmed, B.; Beyenal, Haluk
2010-08-15
Diffusive mass transfer in biofilms is characterized by the effective diffusion coefficient. It is well-documented that the effective diffusion coefficient can vary by location in a biofilm. The current literature is dominated by effective diffusion coefficient measurements for distinct cell clusters and stratified biofilms showing this spatial variation. Regardless of whether distinct cell clusters or surface-averaging methods are used, position-dependent measurements of the effective diffusion coefficient are currently: 1) invasive to the biofilm, 2) performed under unnatural conditions, 3) lethal to cells, and/or 4) spatially restricted to only certain regions of the biofilm. Invasive measurements can lead to inaccurate results and prohibit further (time dependent) measurements which are important for the mathematical modeling of biofilms. In this study our goals were to: 1) measure the effective diffusion coefficient for water in live biofilms, 2) monitor how the effective diffusion coefficient changes over time under growth conditions, and 3) correlate the effective diffusion coefficient with depth in the biofilm. We measured in situ two-dimensional effective diffusion coefficient maps within Shewanella oneidensis MR-1biofilms using pulsed-field gradient nuclear magnetic resonance methods, and used them to calculate surface-averaged relative effective diffusion coefficient (Drs) profiles. We found that 1) Drs decreased from the top of the biofilm to the bottom, 2) Drs profiles differed for biofilms of different ages, 3) Drs profiles changed over time and generally decreased with time, 4) all the biofilms showed very similar Drs profiles near the top of the biofilm, and 5) the Drs profile near the bottom of the biofilm was different for each biofilm. Practically, our results demonstrate that advanced biofilm models should use a variable effective diffusivity which changes with time and location in the biofilm.
Renslow, Ryan S.; Majors, Paul D.; McLean, Jeffrey S.; Fredrickson, Jim K.; Ahmed, Bulbul; Beyenal, Haluk
2010-01-01
Diffusive mass transfer in biofilms is characterized by the effective diffusion coefficient. It is well-documented that the effective diffusion coefficient can vary by location in a biofilm. The current literature is dominated by effective diffusion coefficient measurements for distinct cell clusters and stratified biofilms showing this spatial variation. Regardless of whether distinct cell clusters or surface-averaging methods are used, position-dependent measurements of the effective diffusion coefficient are currently: 1) invasive to the biofilm, 2) performed under unnatural conditions, 3) lethal to cells, and/or 4) spatially restricted to only certain regions of the biofilm. Invasive measurements can lead to inaccurate results and prohibit further (time-dependent) measurements which are important for the mathematical modeling of biofilms. In this study our goals were to: 1) measure the effective diffusion coefficient for water in live biofilms, 2) monitor how the effective diffusion coefficient changes over time under growth conditions, and 3) correlate the effective diffusion coefficient with depth in the biofilm. We measured in situ two-dimensional effective diffusion coefficient maps within Shewanella oneidensis MR-1 biofilms using pulsed-field gradient nuclear magnetic resonance methods, and used them to calculate surface-averaged relative effective diffusion coefficient (Drs) profiles. We found that 1) Drs decreased from the top of the biofilm to the bottom, 2) Drs profiles differed for biofilms of different ages, 3) Drs profiles changed over time and generally decreased with time, 4) all the biofilms showed very similar Drs profiles near the top of the biofilm, and 5) the Drs profile near the bottom of the biofilm was different for each biofilm. Practically, our results demonstrate that advanced biofilm models should use a variable effective diffusivity which changes with time and location in the biofilm. PMID:20589671
Measurement of tracer diffusion coefficients in an interdiffusion context for multicomponent alloys
NASA Astrophysics Data System (ADS)
Belova, I. V.; Sohn, Y. H.; Murch, G. E.
2015-08-01
A recently developed novel approach of simultaneous analysis of isotope and interdiffusion profiles in binary alloy systems is significantly advanced in order to apply to the case of multicomponent alloy systems. The resulting relations for the tracer or self-diffusion coefficients allow for the avoiding of the explicit solution of the interdiffusion equations. This remarkable result means that in the experimental implementation of this new technique there is no need for multiple diffusion couples. Only two profiles of the same component are necessary for the complete analysis. These can be two different isotopes or just two spatially different parts of the same atomic species. Descriptions of three possible experimental implementations of the novel technique combined with the Sauer-Freise method are discussed. Therefore, the new development is ready to be applied experimentally and can provide valuable insight into otherwise very difficult diffusion investigations into multicomponent alloys including high-entropy alloys.
Mass dependence of the Soret coefficient for atomic diffusion in condensed matter
NASA Astrophysics Data System (ADS)
Yu, Wei-Feng; Lin, Zheng-Zhe; Ning, Xi-Jing
2013-06-01
Particle diffusion in condensed matters driven by thermal gradient, the so-called Ludwig-Soret effect, has been investigated for about 160 years, but up to the present, seldom do theories on atomic level understand a series of puzzles in relevant experiments. In this work, we derived an expression of Soret coefficient for atomic diffusion in condensed matter from a single atom statistic model with relevant parameters expressed in terms of atomic mass and the potential profile felt by the guest atom without empirical parameters. The reality of the model was strictly tested by molecular dynamics simulations, especially the result for He atom diffusing on graphene sheet, which suggests the Soret effect may be used to separate 3He from 4He.
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.
NASA Astrophysics Data System (ADS)
Kim, Changho; Borodin, Oleg; Karniadakis, George Em
2015-12-01
We analyze two standard methods to compute the diffusion coefficient of a tracer particle in a medium from molecular dynamics (MD) simulation, the velocity autocorrelation function (VACF) method, and the mean-squared displacement (MSD) method. We show that they are equivalent in the sense that they provide the same mean values with the same level of statistical errors. We obtain analytic expressions for the level of the statistical errors present in the time-dependent diffusion coefficient as well as the VACF and the MSD. Under the assumption that the velocity of the tracer particle is a Gaussian process, all results are expressed in terms of the VACF. Hence, the standard errors of all relevant quantities are computable once the VACF is obtained from MD simulation. By using analytic models described by the Langevin equations driven by Gaussian white noise and Poissonian white shot noise, we verify our theoretical error estimates and discuss the non-Gaussianity effect in the error estimates when the Gaussian process approximation does not hold exactly. For validation, we perform MD simulations for the self-diffusion of a Lennard-Jones fluid and the diffusion of a large and massive colloid particle suspended in the fluid. Our theoretical framework is also applicable to mesoscopic simulations, e.g., Langevin dynamics and dissipative particle dynamics.
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
Sandwich mixer-reactor: influence of the diffusion coefficient and flow rate ratios.
Abonnenc, Mélanie; Josserand, Jacques; Girault, Hubert H
2009-02-01
A sandwich mixer consists of mixing two solutions in a channel, one central laminar flow being sandwiched between two outer flow solutions. The present numerical study considers the convection-diffusion of two reacting species A and B, provided respectively by the two incoming solutions. The simulations show how the diffusion coefficient, flow rate and species concentration ratios influence, via the transversal diffusion length and reaction kinetics, the reaction extent at the end of the sandwich mixer. First, this extent can be enhanced up to 60% if the species with the lowest diffusion coefficient is located in the outer solutions where the flow velocity is small compared to that of the central part (higher residence time). Secondly, decreasing the outer flow rates (to confine the reaction close to the walls) and increasing the local concentration to keep the same flux ratio improve the extent by 300%. Comparison with a bi-lamination passive mixer, with an ideal mixer and an electro-osmotic driven flow mixer is presented. These conclusions are also demonstrated for consecutive reactions, showing an amplification of the effects described above. The results are also presented versus the residence time in the mixer-reactor to show the time window for which the gain is appreciable.
Computations of ion diffusion coefficients from the Boltzmann-Fokker-Planck equation
NASA Technical Reports Server (NTRS)
Roussel-Dupre, R.
1981-01-01
The Boltzmann-Fokker-Planck equation is solved with the Chapman-Enskog method of analysis for the velocity distribution functions of helium, carbon, nitrogen, and oxygen. The analysis is a perturbation scheme based on the assumption of a collision-dominated gas, and the calculations are carried out to first order. The elements considered are treated as trace constituents in an electron-proton gas. From the resulting distribution functions, diffusion coefficients are computed which are found to be 20-30% less than those obtained by Chapman and Burgers. In addition, it is shown that the return current of cold electrons needed to maintain quasi-neutrality in a plasma with a temperature gradient contributes a term in the thermal diffusion coefficient omitted erroneously in previous works. This added term resolves the longstanding controversy over the discrepancy between the coefficients of Chapman and Burgers, which are seen to be completely equivalent in the light of this analysis. The viscosity coefficient for an electron-proton gas is also computed and found to be 7% less than that obtained by Braginskii.
NASA Astrophysics Data System (ADS)
Lu, Yong; Zhang, Ping
2013-05-01
We report the prediction of temperature-dependent diffusion coefficients of interstitial hydrogen, deuterium, and tritium atoms in α-Ti using transition state theory. The microscopic parameters in the pre-factor and activation energy of the impurity diffusion coefficients are obtained from first-principles total energy and phonon calculations including the full coupling between the vibrational modes of the diffusing atom with the host lattice. The dual occupancy case of impurity atom in the hcp matrix is considered, and four diffusion paths are combined to obtain the final diffusion coefficients. The calculated diffusion parameters show good agreement with experiments. Our numerical results indicate that the diffusions of deuterium and tritium atoms are slower than that of the hydrogen atom at temperatures above 425 K and 390 K, respectively.
Mialdun, A; Shevtsova, V
2015-12-14
We report on the measurement of diffusion (D), Soret (S(T)), and thermodiffusion (D(T)) coefficients in toluene-cyclohexane mixture with mass fraction of toluene 0.40 onboard of the International Space Station. The coefficients were measured in the range of the mean temperatures between 20 °C and 34 °C. The Soret coefficient is negative within the investigated temperature range and its absolute value |S(T)| decreases with increasing temperature. The diffusion coefficient for this system increases with temperature rising. For comparison, the temperature dependence of diffusion coefficient was measured in ground laboratory using counter-flow cell technique and revealed a good agreement with microgravity results. A non-direct comparison of the measured onboard Soret coefficients with different systems indicated a similar trend for the temperature dependent behavior. Unexpected experimental finding is that for this system the thermodiffusion coefficient D(T) does not depend on temperature. PMID:26671399
Mialdun, A; Shevtsova, V
2015-12-14
We report on the measurement of diffusion (D), Soret (S(T)), and thermodiffusion (D(T)) coefficients in toluene-cyclohexane mixture with mass fraction of toluene 0.40 onboard of the International Space Station. The coefficients were measured in the range of the mean temperatures between 20 °C and 34 °C. The Soret coefficient is negative within the investigated temperature range and its absolute value |S(T)| decreases with increasing temperature. The diffusion coefficient for this system increases with temperature rising. For comparison, the temperature dependence of diffusion coefficient was measured in ground laboratory using counter-flow cell technique and revealed a good agreement with microgravity results. A non-direct comparison of the measured onboard Soret coefficients with different systems indicated a similar trend for the temperature dependent behavior. Unexpected experimental finding is that for this system the thermodiffusion coefficient D(T) does not depend on temperature.
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
Dissolved and gas-phase concentrations of nine polycyclic aromatic hydrocarbons and 46 polychlorinated biphenyl congeners were measured at eight sites on the Chesapeake Bay at four different times of the year to estimate net diffusive air-water gas exchange rates. Gaseous PAHs ar...
Adams, M.E.; Marshall, T.L.; Rowley, R.L.
1998-07-01
Absorption rates of gaseous CO{sub 2} into aqueous blends of N-methyldiethanolamine (MDEA) and diethanolamine (DEA) and of gaseous H{sub 2}S into aqueous MDEA were measured in a quiescent, inverted-tube diffusiometer by monitoring the rate of pressure drop. A numerical model for absorption, diffusion, and reaction of CO{sub 2} and H{sub 2}S in blends of MDEA, DEA, and water was developed. The model was used to regress diffusion coefficients of bicarbonate, carbamate, and MDEAH{sub 2}CO{sub 3} for the case of CO{sub 2} absorption and of bisulfide ion for the case of H{sub 2}S absorption from measured absorption rates. CO{sub 2} absorption rates and diffusion coefficients of bicarbonate, carbamate, and MDEAH{sub 2}CO{sub 3} were obtained at 298.2 K and 318.2 K in aqueous solutions containing 50 mass % total amine at DEA:MDEA mole ratios of 1:20, 1:4, 1L3, and 2:3. H{sub 2}S absorption rates and diffusion coefficients of bisulfide ion were obtained at 298.2 K and 318.2 K in aqueous solutions containing 20, 35, and 50 mass % MDEA.
Lito, Patrícia F; Magalhães, Ana L; Gomes, José R B; Silva, Carlos M
2013-05-17
In this work it is presented a new model for accurate calculation of binary diffusivities (D12) of solutes infinitely diluted in gas, liquid and supercritical solvents. It is based on a Lennard-Jones (LJ) model, and contains two parameters: the molecular diameter of the solvent and a diffusion activation energy. The model is universal since it is applicable to polar, weakly polar, and non-polar solutes and/or solvents, over wide ranges of temperature and density. Its validation was accomplished with the largest database ever compiled, namely 487 systems with 8293 points totally, covering polar (180 systems/2335 points) and non-polar or weakly polar (307 systems/5958 points) mixtures, for which the average errors were 2.65% and 2.97%, respectively. With regard to the physical states of the systems, the average deviations achieved were 1.56% for gaseous (73 systems/1036 points), 2.90% for supercritical (173 systems/4398 points), and 2.92% for liquid (241 systems/2859 points). Furthermore, the model exhibited excellent prediction ability. Ten expressions from the literature were adopted for comparison, but provided worse results or were not applicable to polar systems. A spreadsheet for D12 calculation is provided online for users in Supplementary Data.
Dynamic properties and third order diffusion coefficients of ions in electrostatic fields
NASA Astrophysics Data System (ADS)
Koutselos, Andreas D.
1997-05-01
Velocity correlation functions and third order diffusion coefficients of ions moving in a buffer gas under the influence of an electrostatic field are determined via molecular dynamics simulation. For the closed shell system of K+ in Ar using a universal interaction model potential, the general form of the third order correlation functions is found to be monotonically decaying in time except in the cases of <ΔvZ(0)ΔvX(t)2>, <ΔvZ(0)ΔvY(t)2>, and <ΔvZ(0)ΔvZ(t)2>, with Δv(t)=v(t) -
NASA Astrophysics Data System (ADS)
Hirao, Akiko; Nishizawa, Hideyuki; Tsukamoto, Takayuki; Matsumoto, Kazuki
1999-10-01
A new easy method for obtaining a drift mobility and a diffusion coefficient from a nondispersive time-of-flight transient has been developed. Nondispersive transients are described well in the theoretical photocurrent equation (PTE) based on the fact that a carrier packet drifts at a constant velocity and is spread by diffusion, the top electrode acts as a reflecting and partially absorbing wall, and the counter electrode acts as an absorbing wall. The fitting of the PTE to photocurrent transients gives the mobility and the diffusion coefficient (D) simultaneously. These are suitable characteristic values for descriptions of carriers transport because they do not show the thickness dependence and the negative field dependence in a low electric field. The mobility that sometimes shows the thickness dependence and the negative field dependence in a low electric field, however, has usually been measured from the time of the intersection of the asymptotes to the plateau and trailing edge of the transients. In order to obtain (mu) a from photocurrent transients by a simple method, we have tried to describe t0 and tail-broadening parameter W as functions of (mu) a and D, where W is defined as (t1/2 - t0)/t1/2 and t1/2 is the time at which the current is a half of that in the plateau region. The dependences of calculated (mu) k and W on the electric field and the sample thickness agreed well with those of the experimental data. These results verify the PTE and suggest that (mu) a and D can be calculated from t0 and W. We also report that the diffusion coefficient is proportional to the power of 2 of the mobility. This result agrees with a theory based on the Langevin equation which describes motions of carriers in a fluctuated field.
Jackson, D.R.
1986-04-01
Battelle initiated a survey of vegetation samples at new and established sites in the vicinity of the Portsmouth Gaseous Diffision Plant. Forty-nine vegetation samples were collected and analyzed for fluoride. Three samples from inside the plant boundaries contained fluoride in concentrations great enough to be of concern to grazing livestock (>40 ppm). All other samples were below the action level. Fluoride concentrations in vegetation reported by Battelle were somewhat greater than identical samples analyzed by GAT. This differences may be accounted for by the fact that GAT rinsed their samples prior to the analysis for fluoride while Battelle did not. Battelles' samples were not washed because fluoride containing particulates on the surface of vegetation can be readily ingested by livestock and may contribute to the total amount of fluoride absorbed by the livestock. Results of the vegetational survey were not correlated with the deposition pattern modeled by Battelle. Apparently, levels of fluoride in vegetation near the plant are not greatly influenced by plant emissions. Extraneous sources such as dust and other forms of atmospheric fluoride appear to be the predominant influence governing fluoride in vegetation. Results from the fluoride deposition model indicate that a deficiency of sampling points may exist in the northwest sector immediately adjacent to the plant perimeter. The addition of new sampling stations in this area would create closer surveillance of potential fluoride emissions from the plant.
NASA Astrophysics Data System (ADS)
Benhenni, M.; Yousfi, M.; Bekstein, A.; Eichwald, O.; Merbahi, N.
2006-11-01
The reduced mobility and diffusion coefficients of N_{2}^{+} and O- are calculated with a Monte Carlo simulation for the gas mixtures N2-H2O (50%, 50%) and O2-N2 (80%N2, 20%O2), respectively, from measured and calculated elastic and inelastic cross sections. These mobility and longitudinal diffusion coefficients have been compared with the standard Blanc's law and with the common mean energy (CME) procedure. Good agreement between these three calculation methods was found for the mobility and diffusion of N_{2}^{+} in the N2-H2O mixture at high reduced fields where inelastic processes are relatively uninfluential. However, a strong deviation between Blanc's law and both CME procedure and our Monte Carlo calculations for the reduced mobility and the diffusion coefficient of N_{2}^{+} in this gas mixture N2-H2O was observed at low reduced fields, because inelastic processes are significant. On the contrary, for the case of the N2-O2 mixture, where inelastic processes are small over the reduced electric field range 1-8000 Td, the three calculation methods led to similar results. The elastic collision cross sections used were determined from a semi-classical JWKB approximation by using a rigid core potential model for both symmetric N_{2}^{+}/N_{2} and asymmetric N_{2}^{+}/H_{2}O , O-/O2 and O-/N2 ion-neutral systems. Moreover, the inelastic cross sections were extended to low N_{2}^{+} energies from appropriate approximations. These cross section sets were validated from the good agreement between our Monte Carlo calculated N_{2}^{+} reduced mobilities in N2 and H2O, O- in O2 and N2 and either measured values for the systems N_{2}^{+}/N_{2} and O-/O2 or physical properties of the systems N_{2}^{+}/H_{2}O and O-/N2.
NASA Astrophysics Data System (ADS)
Szyszkiewicz-Warzecha, Krzysztof; Jasielec, Jerzy J.; Fausek, Janusz; Filipek, Robert
2016-08-01
Transport properties of ions have significant impact on the possibility of rebars corrosion thus the knowledge of a diffusion coefficient is important for reinforced concrete durability. Numerous tests for the determination of diffusion coefficients have been proposed but analysis of some of these tests show that they are too simplistic or even not valid. Hence, more rigorous models to calculate the coefficients should be employed. Here we propose the Nernst-Planck and Poisson equations, which take into account the concentration and electric potential field. Based on this model a special inverse method is presented for determination of a chloride diffusion coefficient. It requires the measurement of concentration profiles or flux on the boundary and solution of the NPP model to define the goal function. Finding the global minimum is equivalent to the determination of diffusion coefficients. Typical examples of the application of the presented method are given.
Theory and simulation of the time-dependent rate coefficients of diffusion-influenced reactions.
Zhou, H X; Szabo, A
1996-01-01
A general formalism is developed for calculating the time-dependent rate coefficient k(t) of an irreversible diffusion-influenced reaction. This formalism allows one to treat most factors that affect k(t), including rotational Brownian motion and conformational gating of reactant molecules and orientation constraint for product formation. At long times k(t) is shown to have the asymptotic expansion k(infinity)[1 + k(infinity) (pie Dt)-1/2 /4 pie D + ...], where D is the relative translational diffusion constant. An approximate analytical method for calculating k(t) is presented. This is based on the approximation that the probability density of the reactant pair in the reactive region keeps the equilibrium distribution but with a decreasing amplitude. The rate coefficient then is determined by the Green function in the absence of chemical reaction. Within the framework of this approximation, two general relations are obtained. The first relation allows the rate coefficient for an arbitrary amplitude of the reactivity to be found if the rate coefficient for one amplitude of the reactivity is known. The second relation allows the rate coefficient in the presence of conformational gating to be found from that in the absence of conformational gating. The ratio k(t)/k(0) is shown to be the survival probability of the reactant pair at time t starting from an initial distribution that is localized in the reactive region. This relation forms the basis of the calculation of k(t) through Brownian dynamics simulations. Two simulation procedures involving the propagation of nonreactive trajectories initiated only from the reactive region are described and illustrated on a model system. Both analytical and simulation results demonstrate the accuracy of the equilibrium-distribution approximation method. PMID:8913584
Anisotropie des coefficients de diffusion dans des cristaux liquides discotiques hexagonaux
NASA Astrophysics Data System (ADS)
Daoud, M.; Gharbia, M.; Gharbi, A.
1994-06-01
The diffusion constants of dyes in several hexagonal discotic liquid crystals are measured and discussed. For all the liquid crystals studied, these constants are anisotropic : the diffusion in the direction parallel to the columns is faster than that in the perpendicular plane (frac{D_allel}{D_perp}>1). The effects of the length and shape of the chains bound to the triphenylene discs are shown. The effect of the dye molecular size is also described. The study of the diffusion coefficients of hexapentoxytriphenylene (C5HET) as a function of temperature has shown that the activation energies along the columns and perpendicular to the columns are comparable. The main features of dye diffusion in the hexagonal columnar liquid crystals studied are similar to those reported in nematic phases. Les mesures des constantes de diffusion de colorants dans plusieurs cristaux liquides discotiques hexagonaux sont présentées et discutées. Pour tous les cristaux liquides étudiés, ces constantes présentent une anisotropie, avec une diffusion plus rapide parallèlement aux colonnes que perpendiculairement à celles-ci (frac{D_allel}{D_perp}>1). Des effets de longueur et de forme des chaînes branchées sur les disques de triphénylène sont mis en évidence. Il en est de même pour la taille des molécules de colorants. L'étude en fonction de la température a montré que dans le cas de l'hexapentoxytriphénylène (C5HET), les énergies d'activation dans les directions parallèle et perpendiculaire aux colonnes sont comparables. Les caractéristiques de la diffusion de colorants dans les cristaux liquides colonnaires hexagonaux étudiés sont semblables à celles des nématiques.
Measurement of Retinalamin diffusion coefficient in human sclera by optical spectroscopy
NASA Astrophysics Data System (ADS)
Genina, Elina A.; Bashkatov, Alexey N.; Zubkova, Elena A.; Kamenskikh, Tatiana G.; Tuchin, Valery V.
2008-12-01
The use of cytomedines (such as Retinalamin) in clinical practice has shown high effectiveness of the medicaments in ophthalmology. The study of diffusion of Retinalamin in scleral tissue is important for estimation of a drug dose delivered into inner tissue of eye, time of drug action, etc. In vitro measurements of spectral reflectance of sclera interacting with aqueous solution of Retinalamin have been carried out. Ten human sclera samples were included in the study. The results of the experiments have shown that penetration of Retinalamin into scleral tissue leads to the decrease of scleral reflectance due to optical immersion. Estimation of diffusion coefficient of studied solution has been made on the basis of analysis of optical reflectance dynamics of the sclera samples. The diffusion coefficient of Retinalamin in human scleral tissue was evaluated as (1.82±0.14)×10 -6 cm 2/s. The results are important for treatment of partial optic atrophy observed at primary open-angle glaucoma and others eye diseases.
Ab initio calculation of oxygen self-diffusion coefficient in uranium dioxide UO2
NASA Astrophysics Data System (ADS)
Dorado, Boris; Garcia, Philippe; Torrent, Marc
Uranium dioxide UO2 is the most widely used nuclear fuel worldwide and its atomic transport properties are relevant to practically all engineering aspects of the material. Although transport properties have already been studied in UO2 by means of first-principles calculations, the ab initio determination of self-diffusion coefficients has up to now remained unreachable because the relevant computational tools were neither available or adapted. The present work reports our results related to the ab initio calculation of the oxygen self-diffusion coefficient in UO2. We first determine the Gibbs free energies of formation of oxygen charged defects by calculating both the electronic and vibrational (hence entropic) contributions. Then, we use the transition state theory in order to compute the effective jump frequency of the defects, which in turn provides us with the value of the pre-exponential factor. The results are compared to self-diffusion data obtained experimentally with a careful monitoring of the relevant thermodynamic conditions (oxygen partial pressure, temperature, impurity content).
Measuring partition and diffusion coefficients for volatile organic compounds in vinyl flooring
NASA Astrophysics Data System (ADS)
Cox, Steven S.; Zhao, Dongye; Little, John C.
Interactions between volatile organic compounds (VOCs) and vinyl flooring (VF), a relatively homogenous, diffusion-controlled building material, were characterized. The sorption/desorption behavior of VF was investigated using single-component and binary systems of seven common VOCs ranging in molecular weight from n-butanol to n-pentadecane. The simultaneous sorption of VOCs and water vapor by VF was also investigated. Rapid determination of the material/air partition coefficient ( K) and the material-phase diffusion coefficient ( D) for each VOC was achieved by placing thin VF slabs in a dynamic microbalance and subjecting them to controlled sorption/desorption cycles. K and D are shown to be independent of concentration for all of the VOCs and water vapor. For the four alkane VOCs studied, K correlates well with vapor pressure and D correlates well with molecular weight, providing a means to estimate these parameters for other alkane VOCs. While the simultaneous sorption of a binary mixture of VOCs is non-competitive, the presence of water vapor increases the uptake of VOCs by VF. This approach can be applied to other diffusion-controlled materials and should facilitate the prediction of their source/sink behavior using physically-based models.
NASA Astrophysics Data System (ADS)
Batabyal, R.; Patra, S.; Roy, A.; Roy, S.; Bischoff, L.; Dev, B. N.
2009-10-01
We have fabricated parallel stripes of nanostructures in an n-type Si substrate by implanting 30 keV Ga + ions from a focused ion beam (FIB) source. Two sets of implantation were carried out. In one case, during implantation the substrate was held at room temperature and in the other case at 400 °C. Photoemission electron microscopy (PEEM) was carried out on these samples. The implanted parallel stripes, each with a nominal dimension of 4000 nm × 100 nm, appear as bright regions in the PEEM image. Line scans of the intensities from the PEEM image were recorded along and across these stripes. The intensity profile at the edges of a line scan is broader for the implantation carried out at 400 °C compared to room temperature. From the analysis of this intensity profile, the lateral diffusion coefficient of Ga in silicon was estimated assuming that the PEEM intensity is proportional to Ga concentration. The diffusion coefficient at 400 °C has been estimated to be ˜1.3 × 10 -15 m 2/s. Across the stripes an asymmetric diffusion profile has been observed, which has been related to the sequence of implantation of these stripes and the associated defect distribution due to lateral straggling of the implanted ions.
Diffusion coefficients of ions in lighter gases in an electric field
NASA Astrophysics Data System (ADS)
Ferrari, Leonardo
1996-05-01
The diffusion theory for ions in single lighter gases (and in mixtures of lighter gases), in moderately low electrostatic fields, is formulated in the so-called quasi-Rayleigh limit, starting from a proper approximate kinetic equation previously derived by the author. In this way new simple approximate expressions for transverse and longitudinal ion temperatures and diffusion coefficients are obtained. Their dependence on the ion-neutral interaction law is investigated in the simple case of an inverse-power force law. Moreover, the results are compared with the previous ones of the literature. In particular, agreement is found with Wannier's results in the Maxwell model and with the results of the first Chapman-Enskog approximation. On the contrary, some discrepancies with the one-temperature formulation of the moment method are encountered as regards the transverse ion temperature and the transverse diffusion coefficient, but this appears to be due to the questionable computational criteria used in the above method. Finally, the limits of validity of the present formulas are discussed.
The effective charge number and diffusion coefficient of cationic cytochrome c in aqueous solution.
Kontturi, A K; Kontturi, K; Niinikoski, P; Savonen, A; Vuoristo, M
1992-04-01
The diffusion coefficient and the effective charge number of cytochrome c as a function of ionic strength, temperature and pH have been measured. The measurements were carried out using a method based on a convective diffusion process across a porous membrane. The effect of ionic strength was studied in an NaCl solution the concentration of which varied from 0.001 to 1.0 M. The temperature range studied was 10-50 degrees C, and the pH values studied were 4.0, 6.5 and 8.25. The diffusion coefficient is fairly constant as a function of ionic strength and pH, and Walden's rule is valid in the temperature range studied. The effective charge number is practically constant (ca. 2) in the concentration range studied, except in 0.001 M solution, where it is the same as the titrated value. The charge number decreases slightly in the temperature range 10-30 degrees C, but seems to drop suddenly to zero at ca. 40 degrees C. Measurements using heavy water (D2O) as a solvent instead of water did not give zero charge at 40 degrees C for cytochrome c. PMID:1325179
Evolution of the Magnetic Field Line Diffusion Coefficient and Non-Gaussian Statistics
NASA Astrophysics Data System (ADS)
Snodin, A. P.; Ruffolo, D.; Matthaeus, W. H.
2016-08-01
The magnetic field line random walk (FLRW) plays an important role in the transport of energy and particles in turbulent plasmas. For magnetic fluctuations that are transverse or almost transverse to a large-scale mean magnetic field, theories describing the FLRW usually predict asymptotic diffusion of magnetic field lines perpendicular to the mean field. Such theories often depend on the assumption that one can relate the Lagrangian and Eulerian statistics of the magnetic field via Corrsin’s hypothesis, and additionally take the distribution of magnetic field line displacements to be Gaussian. Here we take an ordinary differential equation (ODE) model with these underlying assumptions and test how well it describes the evolution of the magnetic field line diffusion coefficient in 2D+slab magnetic turbulence, by comparisons to computer simulations that do not involve such assumptions. In addition, we directly test the accuracy of the Corrsin approximation to the Lagrangian correlation. Over much of the studied parameter space we find that the ODE model is in fairly good agreement with computer simulations, in terms of both the evolution and asymptotic values of the diffusion coefficient. When there is poor agreement, we show that this can be largely attributed to the failure of Corrsin’s hypothesis rather than the assumption of Gaussian statistics of field line displacements. The degree of non-Gaussianity, which we measure in terms of the kurtosis, appears to be an indicator of how well Corrsin’s approximation works.
Mongrain, Rosaire; Faik, Isam; Leask, Richard L; Rodés-Cabau, Josep; Larose, Eric; Bertrand, Olivier F
2007-10-01
In the context of drug eluting stent, we present two-dimensional numerical models of mass transport of the drug in the wall and in the lumen to study the effect of the drug diffusion coefficients in the three principal media (blood, vascular wall, and polymer coating treated as a three-compartment problem) and the impact of different strut apposition configurations (fully embedded, half embedded, and not embedded). The different conditions were analyzed in terms of their consequence on the drug concentration distribution in the arterial wall. We apply the concept of the therapeutic window to the targeted vascular wall region and derive simple metrics to assess the efficiency of the various stent configurations. Although most of the drug is dispersed in the lumen, variations in the blood flow rate within the physiological range of coronary blood flow and the diffusivity of the drug molecule in the blood were shown to have a negligible effect on the amount of drug in the wall. Our results reveal that the amount of drug cumulated in the wall depends essentially on the relative values of the diffusion coefficients in the polymer coating and in the wall. Concerning the strut apposition, it is shown that the fully embedded strut configuration would provide a better concentration distribution.
Physics-based ULF Wave Radial Diffusion Coefficients in the Van Allen Belts
NASA Astrophysics Data System (ADS)
Mann, Ian; Rae, Jonathan; Murphy, Kyle; Ozeke, Louis; Milling, David; Chan, Anthony; Elkington, Scot; Angelopoulos, Vassilis
Power in the Pc5 ULF wave band is believed to have strong impact on the acceleration and transport of MeV energy electrons in the outer radiation belt. Typically, radial belt diffusion coefficients are defined from empirical approaches, based on observed flux variations and param-eterised by geomagnetic indices. We report the results of new ULF wave diffusion coefficients derived from statistical analyses of ULF wave power from ground-based magnetometers from the CARISMA chain, as well as from in-situ data from GOES and THEMIS. These results are compared to previous empirical results, and the dependence of the wave-driven coefficients on energy and solar wind speed presented. The ULF wave physics model illustrates the importance of global measurements for identifying dominant or active acceleration mechanisms. Future in-situ radiation belt missions such as the Canadian Space Agency Outer Radiation Belt Injec-tion, Transport, Acceleration and Loss Satellite (ORBITALS) will enable these physics-based models to be tested and the relative importance of various ULF and VLF wave acceleration and loss processes established. In combination with the approved NASA LWS RBSP mission, and the proposed Japanese ERG satellite, the ORBITALS-RBSP-ERG three petal constella-tion together with supporting ground-based and geosynchronous measurements will resolve the spatio-temporal ambiguities and global dynamics and morphology of the Earths radiation belts.
Brain-water diffusion coefficients reflect the severity of inherited prion disease
Hyare, H.; Wroe, S.; Siddique, D.; Webb, T.; Fox, N. C.; Stevens, J.; Collinge, J.; Yousry, T.; Thornton, J. S.
2010-01-01
Objective: Inherited prion diseases are progressive neurodegenerative conditions, characterized by cerebral spongiosis, gliosis, and neuronal loss, caused by mutations within the prion protein (PRNP) gene. We wished to assess the potential of diffusion-weighted MRI as a biomarker of disease severity in inherited prion diseases. Methods: Twenty-five subjects (mean age 45.2 years) with a known PRNP mutation including 19 symptomatic patients, 6 gene-positive asymptomatic subjects, and 7 controls (mean age 54.1 years) underwent conventional and diffusion-weighted MRI. An index of normalized brain volume (NBV) and region of interest (ROI) mean apparent diffusion coefficient (ADC) for the head of caudate, putamen, and pulvinar nuclei were recorded. ADC histograms were computed for whole brain (WB) and gray matter (GM) tissue fractions. Clinical assessment utilized standardized clinical scores. Mann-Whitney U test and regression analyses were performed. Results: Symptomatic patients exhibited an increased WB mean ADC (p = 0.006) and GM mean ADC (p = 0.024) compared to controls. Decreased NBV and increased mean ADC measures significantly correlated with clinical measures of disease severity. Using a stepwise multivariate regression procedure, GM mean ADC was an independent predictor of Clinician's Dementia Rating score (p = 0.001), Barthel Index of activities of daily living (p = 0.001), and Rankin disability score (p = 0.019). Conclusions: Brain volume loss in inherited prion diseases is accompanied by increased cerebral apparent diffusion coefficient (ADC), correlating with increased disease severity. The association between gray matter ADC and clinical neurologic status suggests this measure may prove a useful biomarker of disease activity in inherited prion diseases. GLOSSARY ADAS-Cog = Alzheimer's Disease Assessment Scale–Cognitive subscale; ADC = apparent diffusion coefficient; ADL = Barthel Activities of Daily Living scale; BET = brain extraction tool; BPRS
Bentley, Fiona K; Melis, Anastasios
2012-01-01
Photosynthesis for the generation of fuels and chemicals from cyanobacteria and microalgae offers the promise of a single host organism acting both as photocatalyst and processor, performing sunlight absorption and utilization, as well as CO(2) assimilation and conversion into product. However, there is a need to develop methods for generating, sequestering, and trapping such bio-products in an efficient and cost-effective manner that is suitable for industrial scale-up and exploitation. A sealed gaseous/aqueous two-phase photobioreactor was designed and applied for the photosynthetic generation of volatile isoprene (C(5)H(8)) hydrocarbons, which operates on the principle of spontaneous diffusion of CO(2) from the gaseous headspace into the microalgal or cyanobacterial-containing aqueous phase, followed by photosynthetic CO(2) assimilation and isoprene production by the transgenic microorganisms. Volatile isoprene hydrocarbons were emitted from the aqueous phase and were sequestered into the gaseous headspace. Periodic replacement (flushing) of the isoprene (C(5)H(8)) and oxygen (O(2)) content of the gaseous headspace with CO(2) allowed for the simultaneous harvesting of the photoproducts and replenishment of the CO(2) supply in the gaseous headspace. Reduction in practice of the gaseous/aqueous two-phase photobioreactor is offered in this work with a fed-batch and a semi-continuous culturing system using Synechocystis sp. PCC 6803 heterologously expressing the Pueraria montana (kudzu) isoprene synthase (IspS) gene. Constitutive isoprene production was observed over 192 h of experimentation, coupled with cyanobacterial biomass accumulation. The diffusion-based process in gaseous/aqueous two-phase photobioreactors has the potential to be applied to other high-value photosynthetically derived volatile molecules, emanating from a variety of photosynthetic microorganisms. PMID:21830206
Autrey, S Thomas ); Camaioni, Donald M. ); Kandanarachchi, Pramod H.; Franz, James A. )
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.
Density and virial coefficients of gaseous butane from 265 to 450 K at pressures to 3.3 MPa
Gupta, D.; Eubank, P.T.
1997-09-01
The Burnett-isochoric (B-I) method has been used to measure gas densities and virial coefficients for butane from 265 to 450 K. Two independent B-I runs were performed but both with a base isotherm of 450 K, which is well above the critical temperature of 425 K. Significant physical adsorption of butane molecules onto the highly-polished, stainless steel cell walls was found below 75 K in agreement with conclusions reached by Ewing and associates in comparing their sonic-velocity-based density virial coefficients with those from the P-V-T literature. The data below 375 K were then corrected for adsorption errors by previously published procedures developed by this laboratory for highly polar gases. Using statistical weighting of two B-I runs, recommended density second virial coefficients B(T) are reported from 265 to 450 K whereas third virial coefficients C(T) are reported only from 325 to 450 K as values below 325 K are too uncertain due to the vapor pressure dropping under 300 kPa. However, then the virial equation of state truncated after B(T) is sufficient to represent the gas densities. At the lower temperatures of this investigation, B(T) values lie between those from sonic velocities and the more negative values from the P-V-T literature, which are uncorrected for adsorption errors; the authors are closer to the values from sonic velocities and about 1/4 of the way between the two sets. At the higher temperatures, the authors agree very closely with the better P-V-T measurements whereas the sonic-velocity-based values become increasingly more negative.
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.
NASA Astrophysics Data System (ADS)
Tanaka, Yuki A.; Suzuki, Takeru K.; Inutsuka, Shu-ichiro
2015-08-01
We investigate roles of Alfvénic waves in the weakly ionized atmosphere of hot Jupiters by carrying out non-ideal MHD simulations with ohmic diffusion in one-dimensional magnetic flux tubes. Turbulence at the surface excites Alfvén waves, and they propagate upward to drive hot (≈ {10}4 K) outflows. The magnetic diffusion plays an important role in the dissipation of the Alfvénic waves in the weakly ionized atmosphere of hot Jupiters. The mass-loss rate of the spontaneously driven planetary wind is considerably reduced, in comparison with that obtained from ideal MHD simulations because the Alfvénic waves are severely damped at low altitudes in the atmosphere, whereas the wave heating is still important in the heating of the upper atmosphere. Dependence on the surface temperature, planetary radius, and velocity dispersion at the surface is also investigated. We find an inversion phenomenon of the transmitted wave energy flux; the energy flux carried by Alfvén waves in the upper atmosphere has a nonmonotonic correlation with the input energy flux from the surface in a certain range of the surface temperature because the resistivity is determined by the global physical properties of the atmosphere in a complicated manner. We also point out that the heating and mass loss are expected only in limited zones if the open magnetic field is confined in the limited regions.
Miyoshi, Hirofumi
1999-01-01
Donnan dialysis with ion-exchange membranes was studied under various kinds of experimental conditions using ions of different valences. The diffusion coefficients (D{sub d}) of various kinds of ions in the ion-exchange membrane were obtained by curve fitting an equation derived from the mass balance to three kinds of Donnan dialytic experiments. It was found that the value of D{sub d}/D{sub s} using D{sub d} of monovalent ions in Donnan dialysis with a set of monovalent feed ions and bivalent driving ions was 1/175, where D{sub s} represents a diffusion coefficient in solution. D{sub s} was calculated from the Nernst-Einstein equation substituted by the ionic conductance of ions at infinite dilution in water. Using D{sub d} of bivalent ions in Donnan dialysis with the same set led to a D{sub d}/D{sub s} value of 1/438. Moreover, using D{sub d} in Donnan dialysis with the same set, the value of D{sub d}/D{sub e} was kept constant at 0.4 (D{sub e} expresses the diffusion coefficient in the membrane when the valences of the feed and driving ions are equal). On the other hand, both D{sub d}/D{sub s} and D{sub d}/D{sub e} using D{sub d} in Donnan dialysis with a set of bivalent feed ions and monovalent driving ions were not constant.
Time-dependent diffusion coefficient as a probe of the permeability of the pore wall
NASA Astrophysics Data System (ADS)
Sen, Pabitra N.
2003-11-01
The time dependence of the mean-square displacement (or equivalently of the diffusion coefficient) in the presence of a permeable barrier can be used as a probe of the surface-to-volume ratio and permeability of a membrane. An exact, universal, short-time asymptotics in a pack of cells, assuming that the surfaces are locally smooth, shows that the effects of nonzero permeability appear as a correction to the diffusion coefficient that is linear in time, whereas the surface-to-volume ratio enters as a square root in time. With κ as the permeability of the membrane, we find, for the particles released inside the cells, DR,eff(t)=DR[1-(SR/VR){4√DR t/(9√π )-κt√DL (√DL +√DR )/(6DR)}]+⋯ . Here DR and DL are free (i.e., bulk) diffusion coefficients inside and outside of the cell, respectively, and SR/VR is the total internal surface divided by the total internal cell volume. The other terms linear in t that add to the right side of above equation are DR(SR/VR)[(1/6)ρt-(1/12)DRt<(1/R1+1/R2)>R], where ρ is a surface relaxation, which is generally negligible in biological samples, and <(1/R1+1/R2)>R is the average of the principal radii of curvatures over the interior surface. An equivalent expression for the particles starting outside the cell is obtained by swapping L↔R. The NMR data on erthrocytes show that the effect of permeability can be significant within the time scales of measurement and hence κ is deducible from the data. The long-time behavior given previously [Proc. Natl. Acad. Sci. USA 92, 1229 (1994)] is augmented by giving a nonuniversal form that includes the rate of approach to this limit.
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.
Integral formula for the effective diffusion coefficient in two-dimensional channels.
Kalinay, Pavol
2016-07-01
The effective one-dimensional description of diffusion in two-dimensional channels of varying cross section is revisited. The effective diffusion coefficient D(x), extending Fick-Jacobs equation, depending on the longitudinal coordinate x, is derived here without use of scaling of the transverse coordinates. The result of the presented method is an integral formula for D(x), calculating its value at x as an integral of contributions from the neighboring positions x^{'} depending on h(x^{'}), a function shaping the channel. Unlike the standard formulas based on the scaling, the new proposed formula also describes D(x) correctly near the cusps, or in wider channels. PMID:27575072
The influence of ion/molecule reactions on the evaluation of ion mobility and diffusion coefficients
NASA Astrophysics Data System (ADS)
de Urquijo, J.; Alvarez, I.; Cisneros, C.; Martinez, H.
1996-05-01
This paper deals with the evaluation of the mean and the variance of the ion flux at the exit of a drift tube, from which the drift velocity, [nu]d, and the longitudinal diffusion coefficient, DL, can be derived. Besides drift and diffusion, the presence of a primary ion conversion process through reactions with the gas is fully considered from the outset. Full expressions for the mean and variance of the ion flux are then approximated by resorting to experimental conditions in which low ionic reactivity, adequate drift tube geometry, and other experimental conditions are met, thus arriving at very simple expressions from which [nu]d and DL are derived. These simple expressions have been obtained previously from analyses ignoring ion/molecule reactions from the outset. The full expressions derived here and their approximations are used to provide a means of evaluating the errors incurred when very simple expressions are used in highly reacting ion/neutral systems.
Effects of ions on the diffusion coefficient of water in carbon nanotubes
NASA Astrophysics Data System (ADS)
Gao, Xiang; Zhao, Tianshou; Li, Zhigang
2014-08-01
In this work, we investigate the ion effects on the diffusion of water in carbon nanotubes through molecular dynamics simulations. The diffusion coefficient of water molecules Dw in the presence of cations (Na+ and K+) and anions (F-, Cl-, and Br-) are calculated by changing the ion concentration. The dependence of Dw on the ion concentration is found highly nonlinear and distinct for different ions. For positively charged systems, as the ion concentration is varied, Dw assumes a maximum under the competition between the number and orientation changes of free OH bonds and the effects of ionic hydration. For negatively charged systems, however, Dw decreases monotonously with increasing ion concentration for F-. For Cl- and Br-, Dw reaches the minima at certain ion concentrations and then gently increases. The different behaviors of Dw in the presence of different anions are caused by the stability change of water hydrogen bonds due to ionic hydration.
Tracer diffusion coefficient of oxide ions in LaCoO 3 single crystal
NASA Astrophysics Data System (ADS)
Ishigaki, Takamasa; Yamauchi, Shigeru; Mizusaki, Junichiro; Fueki, Kazuo; Tamura, Hifumi
1984-08-01
The tracer diffusion coefficient, D∗ O, of oxide ions in LaCoO 3 single crystal was determined over the temperature range of 700-1000°C by a gas-solid isotopic exchange technique using 18O tracer. For the determination, two methods, the gas phase analysis and the depth profile measurement, were employed. Under an oxygen pressure of 34 Torr, the temperature dependence of D∗ O in LaCoO 3 was expressed by D∗ O( cm2· sec-1) = 3.63 × 10 4exp- {(74 ± 5) kcal · mole-1}/{RT} D∗ O at 950°C was found to be proportional to P-0.35O 2. The diffusion of oxide ions occurs through a vacancy mechanism. The activation energy for the migration of oxide ion vacancies was estimated as 18 kcal · mole -1.
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.
Sterling, Sarah M.; Allgeyer, Edward S.; Fick, Jörg; Prudovsky, Igor; Mason, Michael D.; Neivandt, David J.
2013-01-01
Model cellular membranes enable the study of biological processes in a controlled environment and reduce the traditional challenges associated with live or fixed cell studies. However, model membrane systems based on the air/water or oil/solution interface do not allow for incorporation of transmembrane proteins, or for the study of protein transport mechanisms. Conversely, a phospholipid bilayer deposited via the Langmuir-Blodgett/Langmuir Schaefer method on a hydrogel layer is potentially an effective mimic of the cross-section of a biological membrane, and facilitates both protein incorporation and transport studies. Prior to application, however, such membranes must be fully characterized, particularly with respect to the phospholipid bilayer phase transition temperature. Here we present a detailed characterization of the phase transition temperature of the inner and outer leaflets of a chitosan supported model membrane system. Specifically, the lateral diffusion coefficient of each individual leaflet has been determined as a function of temperature. Measurements were performed utilizing z-scan fluorescence correlation spectroscopy (FCS), a technique that yields calibration-free diffusion information. Analysis via the method of Wawrezinieck and coworkers, revealed that phospholipid diffusion changes from raft-like to free diffusion as the temperature is increased; an insight into the dynamic behavior of hydrogel supported membranes not previously reported. PMID:23705855
Diffusion coefficients and current velocities in coastal waters by remote sensing techniques.
NASA Technical Reports Server (NTRS)
James, W. P.
1972-01-01
This paper presents a simplified procedure for determining water current velocities and diffusion coefficients. Dye drops which form dye patches in the receiving water are made from an aircraft. The changes in position and size of the patches are recorded from two flights over the area. The data processing procedure requires that the ground coordinates about the dye patches be determined at the time of each flight. With an automatic recording coordinatograph for measuring coordinates and a computer for processing the data, this technique provides a practical method of determining circulation patterns and mixing characteristics of large aquatic systems.
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 (D(DGT)) 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 D(cell) and D(DGT) measurements for both ODL and RDL, except for V and W. The ratios of D(cell)/D(DGT) 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 D(cell) 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 D(DGT) 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 D(DGT) and oxyanions had a slightly lower D(DGT) 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.
Yu, Xin; Schmidt, Arthur R; Bello-Perez, Luis A; Schmidt, Shelly J
2008-01-01
The bulk moisture diffusion coefficient (Db) is an important physical parameter of food ingredients and systems. However, the traditional method of measuring Db using saturated salt solutions is very time-consuming and cumbersome. New automated water sorption instruments, which can be used to conveniently and precisely control both relative humidity and temperature, provide a faster, more robust method for collecting the data needed for determining Db. Thus, the objectives of this study were to (1) investigate the use of the DVS instrument for collecting the data needed for determining the adsorption (Dba) and desorption (Dbd) bulk moisture diffusion coefficients for dent corn starch as a function of relative humidity and (2) determine the effect of temperature on Dba for dent corn starch at a constant relative humidity. Kinetic water sorption profiles of dent corn starch were obtained at eight relative humidity values ranging from 10 to 80% at 10% intervals at 25 degrees C and at five temperatures, 15, 20, 25, 30, and 35 degrees C, at 50% relative humidity using a DVS instrument. Db was calculated from the kinetic water sorption profiles using the full solution of Fick's second law for the thin slab model, as well as the slope method, a simplification of the full model. The Dba of dent corn starch at 25 degrees C reached a maximum at intermediate relative humidity values, after which Dba decreased due to a change in the moisture diffusion mechanism from vapor to liquid diffusion. The Dbd of dent corn starch at 25 degrees C remained nearly constant as a function of relative humidity. The Dba for dent corn starch increased as temperature increased from 15 to 35 degrees C, with an activation energy of 38.85 +/- 0.433 kJ/mol.
Lateral diffusivity coefficients from the dynamics of a SF6 patch in a coastal environment
NASA Astrophysics Data System (ADS)
Kersalé, M.; Petrenko, A. A.; Doglioli, A. M.; Nencioli, F.; Bouffard, J.; Blain, S.; Diaz, F.; Labasque, T.; Quéguiner, B.; Dekeyser, I.
2016-01-01
The dispersion of a patch of the tracer sulfur hexafluoride (SF6) is used to assess the lateral diffusivity in the coastal waters of the western part of the Gulf of Lion (GoL), northwestern Mediterranean Sea, during the Latex10 experiment (September 2010). Immediately after the release, the spreading of the patch is associated with a strong decrease of the SF6 concentrations due to the gas exchange from the ocean to the atmosphere. This has been accurately quantified, evidencing the impact of the strong wind conditions during the first days of this campaign. Few days after the release, as the atmospheric loss of SF6 decreased, lateral diffusivity coefficient at spatial scales of 10 km has been computed using two approaches. First, the evolution of the patch with time was combined with a diffusion-strain model to obtain estimates of the strain rate (γ = 2.5 10- 6 s- 1) and of the lateral diffusivity coefficient (Kh = 23.2 m2 s- 1). Second, a steady state model was applied, showing Kh values similar to the previous method after a period of adjustment between 2 and 4.5 days. This implies that after such period, our computation of Kh becomes insensitive to the inclusion of further straining of the patch. Analysis of sea surface temperature satellite imagery shows the presence of a strong front in the study area. The front clearly affected the dynamics within the region and thus the temporal evolution of the patch. Our results are consistent with previous studies in open ocean and demonstrate the success and feasibility of those methods also under small-scale, rapidly-evolving dynamics typical of coastal environments.
NASA Technical Reports Server (NTRS)
Nesbitt, J. A.; Heckel, R. W.
1987-01-01
Interdiffusion in Ni-rich Ni-Cr-Al alloys is investigated experimentally after annealing at 1100 and 1200 C using gamma/gamma, gamma/gamma+beta, gamma/gamma+gamma prime, and gamma/gamma+alpha diffusion couples. The amount and location of Kirkendall porosity suggests that Al diffuses more rapidly than Cr which diffuses more rapidly than Ni in the gamma phase of Ni-Cr-Al alloys. The location and extent of maxima and minima in the concentration profiles of the diffusion couples indicate that both cross-term diffusion coefficients are positive. Measurements are also presented of the ternary interdiffusion coefficients of the gamma phase in the Ni-Cr-Al system. It is shown that the interdiffusion coefficients can be accurately predicted by using a ternary finite-difference interdiffusion model.
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.
NASA Astrophysics Data System (ADS)
Yoshida, Masayuki; Morooka, Masami; Takahashi, Manabu; Tomokage, Hajime
2000-05-01
Based on the pair diffusion models of vacancy and interstitial (V and I) mechanisms, the V and I components of effective P diffusion coefficient, DP^+,Veff and DP^+,Ieff, and the controlling process of P diffusion in Si are obtained. Assuming that the I mechanism is dominant, not only the I- concentration, CI^-, but also its gradient, d CI^-/d λ , is effective on DP^+,Ieff at high CP^+. DP^+,Ieff is large at d CI^-/d λ <0 and small at d CI^-/d λ >0. P+ and I- are generated by the dissociation of P-I pair. When excess I- thus generated is removed, d CI^-/d λ <0 is obtained. d CI^-/d λ <0 is also obtained by the decrease in quasi self-interstitial formation energy. Several diffusion models simulate the P diffusion profile well under an inert atmosphere. Applying the controlling process to them, the reason why they simulate the P profile well is investigated. Because all of them simulate the P profile well, it is difficult to conclude which model is correct. It is suggested that it is possible to conclude which model is correct from the P profile under oxidation at CP^+s >1× 1020 cm-3 (s: surface).
1985-10-10
MARCOPOLO calculates the radial and axial diffusion coefficients in one-group and multi-group theory for a cylinderized cell (Wigner-Seitz theory) with several concentric zones according to the isotropic shock or linear anisotropic shock hypotheses.
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). A dynamic dual-chamber test meth...
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). A dynamic dual-chamber test meth...
NASA Astrophysics Data System (ADS)
Harvey, R. W.; Smirnov, A. P.; Ershov, N. M.; Bonoli, P.; Wright, J. C.; Jaeger, F.; Batchelor, D. B.; Berry, L. A.; Carter, M. D.; Smithe, D. N.
2003-10-01
Numerical calculations of bounce-averaged ion velocity-space diffusion coefficients resulting from full-wave code electromagnetic fields in tokamak geometry have been implemented by two methods: (1) appropriate averaging of velocity "kicks" during one transit of the torus cross-section calculated by direct numerical integration of the Lorentz equation of motion in tokamak and full-wave EM fields; and (2) local Fourier analysis of full-wave fields to obtain wavenumbers and polarizations, followed by analysis with a previously implemented ray-tracing/quasilinear-diffusion-coefficient calculation in the CQL3D collisional-quasilinear Fokker-Planck code. Diffusion coefficient results from the two approaches are compared. The diffusion coefficients are used in the FP code for calculation of the RF-driven nonthermal ion distributions.
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
NASA Astrophysics Data System (ADS)
Thackston, M. G.; Byers, M. S.; Holleman, F. B.; Chelf, R. D.; Twist, J. R.; McDaniel, E. W.
1983-04-01
Longitudinal diffusion coefficients are measured for Tl+ in Kr and Xe, Li+ in Kr and Xe and cl- in N2. These diffusion coefficients are compared with the calculated ones from a previous measurement of ion mobility values.3 (AIP)
NASA Astrophysics Data System (ADS)
Tulipano, P. Karina; Millar, William S.; Imielinska, Celina; Liu, Xin; Rosiene, Joel; D'Ambrosio, Anthony L.
2006-03-01
Magnetic resonance (MR) imaging is an imaging modality that is used in the management and diagnosis of acute stroke. Common MR imaging techniques such as diffusion weighted imaging (DWI) and apparent diffusion coefficient maps (ADC) are used routinely in the diagnosis of acute infarcts. However, advances in radiology information systems and imaging protocols have led to an overload of image information that can be difficult to manage and time consuming. Automated techniques to assist in the identification of acute ischemic stroke can prove beneficial to 1) the physician by providing a mechanism for early detection and 2) the patient by providing effective stroke therapy at an early stage. We have processed DW images and ADC maps using a novel automated Relative Difference Map (RDM) method that was tailored to the identification and delineation of the stroke region. Results indicate that the technique can delineate regions of acute infarctions on DW images and ADC maps. A formal evaluation of the RDM algorithm was performed by comparing accuracy measurements between 1) expert generated ground truths with the RDM delineated DWI infarcts and 2) RDM delineated DWI infarcts with RDM delineated ADC infarcts. The accuracy measurements indicate that the RDM delineated DWI infarcts are comparable to the expert generated ground truths. The true positive volume fraction value (TPVF), between RDM delineated DWI and ADC infarcts, is nonzero for all cases with an acute infarct while the value for non-acute cases remains zero.
NASA Astrophysics Data System (ADS)
Farajnezhad, Arsalan; Asef Afshar, Orang; Asgarpour Khansary, Milad; Shirazian, Saeed
2016-07-01
The free volume theory has found practical application for prediction of diffusional behavior of polymer/solvent systems. In this paper, reviewing free volume theory, binary mutual diffusion coefficients in some polymer/solvent systems have been systematically presented through chemical thermodynamic modeling in terms of both activity coefficients and fugacity coefficients models. Here chemical thermodynamic model of compressible regular solution (CRS) was used for evaluation of diffusion coefficients calculations as the pure component properties would be required only. Four binary polymeric solutions of cyclohexane/polyisobutylene, n-pentane/polyisobutylene, toluene/polyisobutylene and chloroform/polyisobutylene were considered. The agreement between calculated data and the experimentally collected data was desirable and no considerable error propagation in approximating mutual diffusion coefficients has been observed.
Shalchi, A.; Danos, R. J.
2013-03-10
A spatially varying mean magnetic field gives rise to so-called adiabatic focusing of energetic particles propagating through the universe. In the past, different analytical approaches have been proposed to calculate the particle diffusion coefficient along the mean field with focusing. In the present paper, we show how these different results are related to each other. New results for the parallel diffusion coefficient that are more general than previous results are also presented.
Computing the blood brain barrier (BBB) diffusion coefficient: A molecular dynamics approach
NASA Astrophysics Data System (ADS)
Shamloo, Amir; Pedram, Maysam Z.; Heidari, Hossein; Alasty, Aria
2016-07-01
Various physical and biological aspects of the Blood Brain Barrier (BBB) structure still remain unfolded. Therefore, among the several mechanisms of drug delivery, only a few have succeeded in breaching this barrier, one of which is the use of Magnetic Nanoparticles (MNPs). However, a quantitative characterization of the BBB permeability is desirable to find an optimal magnetic force-field. In the present study, a molecular model of the BBB is introduced that precisely represents the interactions between MNPs and the membranes of Endothelial Cells (ECs) that form the BBB. Steered Molecular Dynamics (SMD) simulations of the BBB crossing phenomenon have been carried out. Mathematical modeling of the BBB as an input-output system has been considered from a system dynamics modeling viewpoint, enabling us to analyze the BBB behavior based on a robust model. From this model, the force profile required to overcome the barrier has been extracted for a single NP from the SMD simulations at a range of velocities. Using this data a transfer function model has been obtained and the diffusion coefficient is evaluated. This study is a novel approach to bridge the gap between nanoscale models and microscale models of the BBB. The characteristic diffusion coefficient has the nano-scale molecular effects inherent, furthermore reducing the computational costs of a nano-scale simulation model and enabling much more complex studies to be conducted.
Double obstacle phase field approach to an inverse problem for a discontinuous diffusion coefficient
NASA Astrophysics Data System (ADS)
Deckelnick, Klaus; Elliott, Charles M.; Styles, Vanessa
2016-04-01
We propose a double obstacle phase field approach to the recovery of piece-wise constant diffusion coefficients for elliptic partial differential equations. The approach to this inverse problem is that of optimal control in which we have a quadratic fidelity term to which we add a perimeter regularization weighted by a parameter σ. This yields a functional which is optimized over a set of diffusion coefficients subject to a state equation which is the underlying elliptic PDE. In order to derive a problem which is amenable to computation the perimeter functional is relaxed using a gradient energy functional together with an obstacle potential in which there is an interface parameter ɛ. This phase field approach is justified by proving {{Γ }}- convergence to the functional with perimeter regularization as ε \\to 0. The computational approach is based on a finite element approximation. This discretization is shown to converge in an appropriate way to the solution of the phase field problem. We derive an iterative method which is shown to yield an energy decreasing sequence converging to a discrete critical point. The efficacy of the approach is illustrated with numerical experiments.
Kubo number and magnetic field line diffusion coefficient for anisotropic magnetic turbulence.
Pommois, P; Veltri, P; Zimbardo, G
2001-06-01
The magnetic field line diffusion coefficients Dx and D(y) are obtained by numerical simulations in the case that all the magnetic turbulence correlation lengths l(x), l(y), and l(z) are different. We find that the variety of numerical results can be organized in terms of the Kubo number, the definition of which is extended from R=(deltaB/B(0))(l(parallel)/l(perpendicular)) to R=(deltaB/B(0))(l(z)/l(x)), for l(x) > or = l(y). Here, l(parallel) (l(perpendicular)) is the correlation length along (perpendicular to) the average field B(0)=B(0)ê(z). We have anomalous, non-Gaussian transport for R less, similar 0.1, in which case the mean square deviation scales nonlinearly with time. For R greater, similar 1 we have several Gaussian regimes: an almost quasilinear regime for 0.1 less, similar R less, similar 1, an intermediate, transition regime for 1 less, similar R less, similar 10, and a percolative regime for R greater, similar 10. An analytical form of the diffusion coefficient is proposed, D(i)=D(deltaBl(z)/B(0)l(x))(mu)(l(i)/l(x))(nu)l(2)(x)/l(z), which well describes the numerical simulation results in the quasilinear, intermediate, and percolative regimes.
Modeling ion exchange in glass with concentration-dependent diffusion coefficients and mobilities
NASA Astrophysics Data System (ADS)
Lupascu, Alexandru I.; Kevorkian, Antoine P.; Boudet, Thierry; Saint-Andre, Francoise; Persegol, Dominique; Levy, Michel
1996-06-01
Multimode buried waveguides made in silicate glass by field-assisted ion exchange present very asymmetric profiles. We show how this phenomenon originates in the large dependence of the kinetics on the local ion concentrations. For this purpose, we derive an interdiffusion equation that includes the effects of concentration-dependent diffusion coefficients and mobilities. We show how to deduce this dependence from measurements on ion- diffused samples. The maximum concentration of the incoming ions is computed from surface equilibrium conditions and is used in the interdiffusion equation as a limiting parameter for coefficient variations. To control the model accuracy for surface as well as buried waveguides, we measure ion profiles with three independent methods: M-lines, scanning electron microscopy, and near-field refractometry. When applied to Ag+-Na+ exchange in silicate glass, the model yields theoretical estimations in good agreement with experiments. This approach underlines the fundamentally nonlinear process that takes place during ion exchange and is also valuable to properly model singlemode waveguide fabrication.
Longitudinal and transverse diffusion coefficients for Li+ ion swarms in Kr gas
NASA Astrophysics Data System (ADS)
Tan, T. L.; Ong, P. P.; Li, M. M.
1995-10-01
The ratio of the transverse diffusion coefficient to mobility, DT/K at 309 K for Li+ ion swarms drifting in Kr gas in the E/N (electric field to neutral gas number density ratio) range of 5 to 170 Td, was experimentally determined with an overall accuracy of +/-4%. The DT/K results were effectively corrected for longitudinal end effects present appreciably in the drift tube by an analysis which requires the measurement of variance
A simple method for the determination of ionic diffusion coefficients in flooded soils
NASA Astrophysics Data System (ADS)
Gardner, P. J.; Flynn, N.; Maltby, E.
2001-02-01
Soil cores from river marginal wetlands from the Torridge and Severn catchments in the UK were collected to study rates of soil denitrification at different sites and at two stations (levee and backplain depression) at the river margin. Half the cores were sterilized prior to flooding to destroy the denitrifying bacteria. After flooding and equilibration, monitoring the concentration of amended nitrate in the supernatant of the sterile cores over a period of 7 days provided a simple procedure for the estimation of the diffusion coefficient of the nitrate ion in the flooded soils. An expression was developed that permitted this diffusion coefficient to be extracted from the slope of a plot of supernatant concentration versus (time)1/2. The values obtained, at 15 °C, varied from 2·4 to 6·8 × 10-10m2s-1. Sterile cores are usually treated as controls in denitrification experiments; this work develops a procedure whereby they may yield useful soil process information.
Joshi, R P; Sridhara, V; Schoenbach, K H
2006-09-22
Interaction of electric fields with biological systems has begun to receive considerable attention for applications that include field-assisted drug delivery, medical interventions, and genetic engineering. External fields induce the strongest effects at membranes with electroporation being a common feature. Membrane transport in this context of poration is often based on continuum approaches utilizing macroscopic parameters such as the permittivity, diffusion coefficients, and mobilities. In such modeling, field dependences, local inhomogeneities, and microscopic details are usually ignored. Here, a molecular dynamics (MD) scheme is used for a more rigorous and physically realistic evaluation of such parameters for potential application to electroporative transport model development. A suitable membrane structure containing a nanopore derived from MD analysis is used as the initial geometric configuration. Both static and frequency dependent diffusion coefficients have been evaluated. Permittivities are also calculated and shown to be dramatically non-uniform in the vicinity of membranes under high external fields. A positive feedback mechanism leading to enhanced membrane fields is discussed.
Effect of cation on diffusion coefficient of ionic liquids at onion-like carbon electrodes.
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
2014-07-16
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.
Gunn, D.
1988-01-01
Spent trichloroethylene (TCE), 1,1,1-trichloroethane (TC-ane), and sludge are generated mainly as a result of vapor degreasing operations at the Paducah Gaseous Diffusion Plant (PGDP). Additionally, small quantities of spent chlorinated solvents are generated as a result of small parts cleanup. Additionally, some of the solvents become contaminated with uranium which classifies them as mixed waste for which no disposal method is currently available. Due to health and environmental concerns and the desire to minimize mixed and hazardous waste generation, a study was initiated to identify nonchlorinated, less toxic degreasers, perform laboratory testing of the most promising alternatives, and initiate field testing to determine if alternate degreasers present operational problems. The degreaser that cleaned and protected metal surfaces best was an all-purpose, water-based, hard surface cleaner consisting of biodegradable synthetic detergents, inorganic builders, and glycol either solvent. Additionally, this product was free-rinsing and did not leave any contaminants that would react with commonly used process gases. This product is recommended as a replacement for chlorinated solvents for many degreasing operations at PGDP.
Tayloe, R.W. Jr.; Brown, A.S.; Dobelbower, M.C.; Woollard, J.E.
1997-03-01
Neutron-sensitive radiation detectors are used in the Portsmouth Gaseous Diffusion Plant`s (PORTS) criticality accident alarm system (CAAS). The CAAS is composed of numerous detectors, electronics, and logic units. It uses a telemetry system to sound building evacuation horns and to provide remote alarm status in a central control facility. The ANSI Standard for a CAAS uses a free-in-air dose rate to define the detection criteria for a minimum accident-of-concern. Previously, the free-in-air absorbed dose rate from neutrons was used for determining the areal coverge of criticality detection within PORTS buildings handling fissile materials. However, the free-in-air dose rate does not accurately reflect the response of the neutron detectors in use at PORTS. Because the cost of placing additional CAAS detectors in areas of questionable coverage (based on a free-in-air absorbed dose rate) is high, the actual response function for the CAAS neutron detectors was determined. This report, which is organized into three major sections, discusses how the actual response function for the PORTS CAAS neutron detectors was determined. The CAAS neutron detectors are described in Section 2. The model of the detector system developed to facilitate calculation of the response function is discussed in Section 3. The results of the calculations, including confirmatory measurements with neutron sources, are given in Section 4.
Haire, M.J.; Jordan, W.C.; Jollay, L.J. III; Dahl, T.L.
1997-02-01
The US Department of Energy (DOE) Deputy Assistant Secretary of Energy for Environmental Management has issued a challenge to complete DOE environmental cleanup within a decade. The response for Oak Ridge facilities is in accordance with the DOE ten-year plan which calls for completion of > 95% of environmental management work by the year 2006. This will result in a 99% risk reduction and in a significant savings in base line costs in waste management (legacy waste); remedial action (groundwater, soil, etc.); and decontamination and decommissioning (D and D). It is assumed that there will be long-term institutional control of cascade equipment, i.e., there will be no walk away from sites, and that there will be firm radioactivity release limits by 1999 for recycle metals. An integral part of these plants is the removal of uranium deposits which pose nuclear criticality safety concerns in the shut down of the Oak Ridge Gaseous Diffusion Plant. DOE has initiated the Nuclear Criticality Stabilization Program to improve nuclear criticality safety by removing the larger uranium deposits from unfavorable geometry equipment. Nondestructive assay (NDA) measurements have identified the location of these deposits. The objective of the K-25 Site Nuclear Criticality Stabilization Program is to remove and place uranium deposits into safe geometry storage containers to meet the double contingency principle. Each step of the removal process results in safer conditions where multiple controls are present. Upon completion of the Program, nuclear criticality risks will be greatly reduced.
Lyon, B.F.
1996-02-01
During the summer of 1995, ultrasonic wall thickness data were collected for 100 steel cylinders containing depleted uranium (DU) hexafluoride located at Paducah Gaseous Diffusion Plant (PGDP) in Paducah, Kentucky. The cylinders were selected for measurement to assess the condition of the more vulnerable portion of the cylinder inventory at PGDP. The purpose of this report is to apply the method used in Lyon to estimate the effects of corrosion for larger unsampled populations as a function of time. The scope of this report is limited and is not intended to represent the final analyses of available data. Future efforts will include continuing analyses of available data to investigate defensible deviations from the conservative assumptions made to date. For each cylinder population considered, two basic types of analyses were conducted: (1) estimates were made of the number of cylinders as a function of time that will have a minimum wall thickness of either 0 mils (1 mil = 0.00 1 in.) or 250 mils and (2) the current minimum wall thickness distributions across cylinders were estimated for each cylinder population considered. Additional analyses were also performed investigating comparisons of the results for F and G yards with the results presented in Lyon (1995).
Sassiat, P.R.; Mourier, P.; Caude, M.H.; Rosset, R.H.
1987-04-15
Diffusion coefficients of acetone, benzene, naphthalene, 1,3,5-trimethylbenzene, phenanthrene, pyrene, and chrysene have been measured by a chromatographic broadening technique in an open capillary tube (950 x 0.103 cm) filled with pure supercritical carbon dioxide or, in the case of benzene, with CO/sub 2/-methanol mixtures ranging from 0 to 100% in methanol. In pure supercritical CO/sub 2/, diffusion coefficients decrease when density increases; they increase linearly vs. the reciprocal of the viscosity; a linear relationship exists between the logarithms of the diffusion coefficients and the molar volumes with a slope of 0.6. Finally, in the range 0.6-0.9 g cm/sup -3/, the Wilke and Chang equation for the calculation of diffusion coefficients is valid for supercritical CO/sub 2/. For methanol-CO/sub 2/ mixtures there is no discontinuity of the diffusion coefficient of benzene when the methanol content varies from 0 to 100%. In the usual supercritical chromatographic conditions with a methanol content less than 10%, diffusion coefficients are at least 4 times higher than in pure methanol.
Koenig, Gary M; Ong, Rizal; Cortes, Angel D; Moreno-Razo, J Antonio; de Pablo, Juan J; Abbott, Nicholas L
2009-07-01
This letter reports that darkfield microscopy can be used to track the trajectories of chemically functionalized gold nanoparticles in nematic liquid crystals (LCs), thus leading to measurements of the diffusion coefficients of the nanoparticles in the LCs. These measurements reveal that the diffusion coefficients of the nanoparticles dispersed in the LC are strongly dependent on the surface chemistry of the nanoparticles. Because the changes in surface chemistry are measured to have negligible influence on the diffusion coefficients of the same nanoparticles dispersed in isotropic solvents, we conclude that surface chemistry-induced changes in the local order of LCs underlie the behavior of the diffusion coefficients of the nanoparticles in the LC. Surface chemistry-dependent ordering of the LCs near the surfaces of the nanoparticles was also found to influence diffusion coefficients measured when the LC was heated above the bulk nematic-to-isotropic transition temperature. These experimental measurements are placed into the context of past theoretical predictions regarding the impact of local ordering of LCs on diffusion coefficients. The results that emerge from this study provide important insights into the mobility of nanoparticles in LCs and suggest new approaches based on measurements of nanoparticle dynamics that can yield information on the ordering of LCs near nanoparticles.
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
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).
Diffusion coefficient of yttrium ion in YCrO{sub 3}
Kawamura, Kenichi; Saiki, Atushi; Maruyama, Toshio; Nagata, Kazuhiro
1995-09-01
The solid-state reaction; 1/2 Y{sub 2}O{sub 3} + 1/2 Cr{sub 2}O{sub 3} = YCrO{sub 3} was conducted between 1,458 and 1,719 K in air (P{sub O{sub 2}} = 0.21 atm). The reaction obeyed the parabolic rate law and the diffusion of yttrium ion controlled the reaction. According to Wagner`s theory, the diffusion coefficient of yttrium ion Y{sup 3+} in YCrO{sub 3} was evaluated using the Gibbs free energy change of the reaction and the parabolic rate constant. The defect reaction, Cr{sub 2}O{sub 3} + 3/2 O{sub 2} in the presence of YCrO{sub 3} yields 2 V{prime}{double_prime}{sub Y} + 2Cr{sub Cr}{sup x} + 6O{sub O}{sup X} + 6h{sup {sm_bullet}}, is predominant in the formation of yttrium vacancy. The diffusion coefficient of yttrium ion is given D{sub Y{sup 3+}}/m{sup 2} s{sup {minus}1} = [8.36 {times} 10{sup {minus}9} exp ({minus} 272/kJ/mol/RT)] P{sub O{sub 2}}{sup 3/16}a{sub Cr{sub 2}O{sub 3}}{sup 1/8} where a{sub Cr{sub 2}O{sub 3}} is activity of Cr{sub 2}O{sub 3} and P{sub O{sub 2}} is oxygen pressure.
Mikitishin, S.I.; Fedorov, V.V.; Sergienko, O.M.; Sokolovskii, O.R.; Spas, Y.M.
1985-07-01
A proposed method of measuring the diffusion coefficient of hydrogen D from the rate of change in electrical resistance in degassing of hydrogenimpregnated specimens is presented. Distinguished by simplicity, the method makes it possible to determine the coefficients with any method of hydrogen impregnation in a broad temperature range.
Measurement of diffusion coefficient using a diaphragm cell: PbBr 2AgBr system
NASA Astrophysics Data System (ADS)
Singh, N. B.; Glicksman, M. E.; Coriell, S. R.; Duval, W. M. B.; Santoro, G. J.; DeWitt, R.
1996-09-01
The diffusion coefficient of molten lead bromide-silver bromide was determined using a two chamber diaphragm cell separated by the porous membrane of a sintered glass disk. Only dilute mixtures of PbBr 2AgBr were studied. The interdiffusion coefficient was determined to be 1.71 × 10 -5cm 20/s.
Apparent diffusion coefficient and fractional anisotropy of newly diagnosed grade II gliomas†
Khayal, Inas S.; McKnight, Tracy R.; McGue, Colleen; Vandenberg, Scott; Lamborn, Kathleen R.; Chang, Susan M.; Cha, Soonmee; Nelson, Sarah J.
2013-01-01
Distinguishing between low-grade oligodendrogliomas (ODs) and astrocytomas (AC) is of interest for defining prognosis and stratifying patients to specific treatment regimens. The purpose of this study was to determine if the apparent diffusion coefficient (ADC) and fractional anisotropy (FA) from diffusion imaging can help to differentiate between newly diagnosed grade II OD and AC subtypes and to evaluate the ADC and FA values for the mixed population of oligoastrocytomas (OA). Fifty-three patients with newly diagnosed grade II gliomas were studied using a 1.5T whole body scanner (23 ODs, 16 ACs, and 14 OAs). The imaging protocol included post-gadolinium T1-weighted images, T2-weighted images, and either three and/or six directional diffusion imaging sequence with b = 1000 s/mm2. Diffusion-weighted images were analyzed using in-house software to calculate maps of ADC and for six directional acquisitions, FA. The intensity values were normalized by values from normal appearing white matter (NAWM) to generate maps of normalized apparent diffusion coefficient (nADC) and normalized fractional anisotropy (nFA). The hyperintense region in the T2 weighted image was defined as the T2All region. A Mann–Whitney rank-sum test was performed on the 25th, median, and 75th nADC and nFA among the three subtypes. Logistic regression was performed to determine how well the nADC and nFA predict subtype. Lesions diagnosed as being OD had significantly lower nADC and significantly higher nFA, compared to AC. The nADC and nFA values individually classified the data with an accuracy of 87%. Combining the two did not enhance the classification. The patients with OA had nADC and nFA values between those of OD and AC. This suggests that ADC and FA may be helpful in directing tissue sampling to the most appropriate regions for taking biopsies in order to make a definitive diagnosis. PMID:19125391
Direct measurement of small diffusion coefficients with secondary ion mass spectroscopy
NASA Astrophysics Data System (ADS)
Macht, M.-P.; Naundorf, V.
1982-11-01
Sputter sectioning in combination with secondary ion mass spectroscopy enables the determination of very small diffusion coefficients which are not attainable with classical sectioning techniques. The exceedingly good depth resolution of the sputter sectioning and the high sensitivity of the mass spectroscopy allow to resolve penetration profiles of solutes in the 10-nm range at the ppm level. Two perturbing effects, inherent to the method and limiting its sensitivity are discussed: degradation of depth resolution by surface roughening and atomic mixing, and near surface distortion of profiles by transient erosion effects. Degradation of depth resolution was minimized by use of single crystalline specimens and low energy sputtering with reactive ions. To overcome the near surface distortions a special sample preparation technique has been developed, resulting in single crystalline specimens with one or more inserted layers of the solutes to be diffused. The application of the method is demonstrated by examples of thermal- and irradiation-induced diffusion of nickel in copper, and the main errors are discussed.
Goemans, M.G.E.; Gloyna, E.F.; Buelow, S.J.
1996-04-01
Molecular diffusion coefficients of lithium-, sodium-, potassium-, cesium-, calcium-, and strontium nitrate in subcritical water were determined by analysis of Taylor dispersion profiles. Pressures ranged from 300 to 500 bar at temperatures ranging from 25{degrees}C to 300{degrees}C. The reported diffusion values were determined at infinite dilution. Molecular diffusion coefficients were 10 to 20 times faster in near-critical subcritical water than in water at ambient temperature and pressure (ATP). These findings implied that the diffusion rates were more liquid like than they were gas like, hence experimental results were correlated with diffusion models for liquids. The subcritical diffusion data presented in this work, and supercritical diffusion results published elsewhere were correlated with hydrodynamic diffusion equations. Both the Wilke-Chang correlation and the Stokes-Einstein equation yielded predictions within 10% of the experimental results if the structure of the diffusing species could be estimated. The effect of the increased diffusion rates on mass transfer rates in supercritical water oxidation applications was quantified, with emphasis on heterogeneous oxidation processes. This study and results published elsewhere showed that diffusion limited conditions are much more likely to be encountered in SCWO processes than commonly acknowledged.
NASA Astrophysics Data System (ADS)
Seo, Hyunseok; Choi, Joonsung; Oh, Changheun; Han, Yeji; Park, HyunWook
2014-10-01
This work proposes an isotropic diffusion weighting method for a high-resolution diffusion-weighted image and for a high-resolution apparent diffusion coefficient (ADC) map using a single radial scan in MRI. By using a conventional radial imaging technique, a high-resolution diffusion-weighted (DW) image can be obtained at the cost of a long imaging time. To reduce the imaging time, the proposed method acquires a DW image by altering the diffusion gradient directions for each radial spoke. The acquisition order and directions of the diffusion gradients for an accurate DW image and an ADC map are also proposed by modifying the golden angle ratio in 3D space. In addition, an individual-direction diffusion-weighted (id-DW) image can also be obtained by a diffusion gradient direction, which is one of the multiple directions used in isotropic diffusion weighting. Computer simulations and experiment results show that the proposed method is more accurate and faster than the conventional radial diffusion-weighted imaging. This study suggests that the proposed isotropic diffusion-weighted imaging can be used to obtain a DW image and a high-resolution ADC map accurately in a single radial scan, while reducing the artifacts caused by the diffusion anisotropy, compared to the diffusion-weighted echo-planar-imaging.
Stellwagen, Earle; Stellwagen, Nancy C
2002-08-01
The free solution mobility of DNA molecules of different molecular weights, the sequence dependence of the mobility, and the diffusion coefficients of small single- and double-stranded DNA (ss- and dsDNA) molecules can be measured accurately by capillary zone electrophoresis, using coated capillaries to minimize the electroosmotic flow (EOF) of the solvent. Very small differences in mobility between various analytes can be quantified if a mobility marker is used to correct for small differences in EOF between successive experiments. Using mobility markers, the molecular weight at which the free solution mobility of dsDNA becomes independent of molecular weight is found to be approximately 170 bp in 40 mM Tris-acetate-EDTA buffer. A DNA fragment containing 170 bp has a contour length of approximately 58 nm, close to the persistence length of DNA under these buffer conditions. Hence, the approach of the free solution mobility of DNA to a plateau value may be associated with the transition from a rod-like to a coil-like conformation in solution. Markers have also been used to determine that the free solution mobilities of ss- and dsDNA oligomers are sequence-dependent. Double-stranded 20-bp oligomers containing runs of three or more adenine residues in a row (A-tracts) migrate somewhat more slowly than 20-mers without A-tracts, suggesting that somewhat larger numbers of counterions are condensed in the ion atmospheres of A-tract DNAs, decreasing their net effective charge. Single-stranded 20-mers with symmetric sequences migrate approximately 1% faster than their double-stranded counterparts, and faster than single-stranded 20-mers containing A(5)- or T(5)-tracts. Interestingly, the average mobility of two complementary single-stranded 20-mers is equal to the mobility of the double-stranded oligomer formed upon annealing. Finally, the stopped migration method has been used to measure the diffusion coefficients of single- and double-stranded oligomers. The diffusion
Hadjiev, Nicholas A; Amsden, Brian G
2015-02-10
The ability to estimate the diffusion coefficient of a solute within hydrogels has important application in the design and analysis of hydrogels used in drug delivery, tissue engineering, and regenerative medicine. A number of mathematical models have been derived for this purpose; however, they often rely on fitted parameters and so have limited predictive capability. Herein we assess the ability of the obstruction-scaling model to provide reasonable estimates of solute diffusion coefficients within hydrogels, as well as the assumption that a hydrogel can be represented as an entangled polymer solution of an equivalent concentration. Fluorescein isothiocyanate dextran solutes were loaded into sodium alginate solutions as well as hydrogels of different polymer volume fractions formed from photoinitiated cross-linking of methacrylate sodium alginate. The tracer diffusion coefficients of these solutes were measured using fluorescence recovery after photobleaching (FRAP). The measured diffusion coefficients were then compared to the values predicted by the obstruction-scaling model. The model predictions were within ±15% of the measured values, suggesting that the model can provide useful estimates of solute diffusion coefficients within hydrogels and solutions. Moreover, solutes diffusing in both sodium alginate solutions and hydrogels were demonstrated to experience the same degree of solute mobility restriction given the same effective polymer concentration, supporting the assumption that a hydrogel can be represented as an entangled polymer solution of equivalent concentration.
Hadjiev, Nicholas A; Amsden, Brian G
2015-02-10
The ability to estimate the diffusion coefficient of a solute within hydrogels has important application in the design and analysis of hydrogels used in drug delivery, tissue engineering, and regenerative medicine. A number of mathematical models have been derived for this purpose; however, they often rely on fitted parameters and so have limited predictive capability. Herein we assess the ability of the obstruction-scaling model to provide reasonable estimates of solute diffusion coefficients within hydrogels, as well as the assumption that a hydrogel can be represented as an entangled polymer solution of an equivalent concentration. Fluorescein isothiocyanate dextran solutes were loaded into sodium alginate solutions as well as hydrogels of different polymer volume fractions formed from photoinitiated cross-linking of methacrylate sodium alginate. The tracer diffusion coefficients of these solutes were measured using fluorescence recovery after photobleaching (FRAP). The measured diffusion coefficients were then compared to the values predicted by the obstruction-scaling model. The model predictions were within ±15% of the measured values, suggesting that the model can provide useful estimates of solute diffusion coefficients within hydrogels and solutions. Moreover, solutes diffusing in both sodium alginate solutions and hydrogels were demonstrated to experience the same degree of solute mobility restriction given the same effective polymer concentration, supporting the assumption that a hydrogel can be represented as an entangled polymer solution of equivalent concentration. PMID:25499554
Sijens, Paul E; Irwan, Roy; Potze, Jan Hendrik; Mostert, Jop P; De Keyser, Jacques; Oudkerk, Matthijs
2006-04-01
Fifteen multiple sclerosis patients were examined by diffusion tensor imaging (DTI) to determine fractional anisotropy (FA) and apparent diffusion coefficient (ADC) in a superventricular volume of interest of 8 x 8 x 2 cm(3) containing gray matter (GM) and white matter (WM) tissue. Point resolved spectroscopy 2D-chemical shift imaging of the same volume was performed without water suppression. The water contents and DTI parameters in 64 voxels of 2 cm(3) were compared. The water content was increased in patients compared with controls (GM: 244+/-21 vs. 194+/-10 a.u.; WM: 245+/-32 vs. 190+/-11 a.u.), FA decreased (GM: 0.226+/-0.038 vs. 0.270+/-0.020; WM: 0.337+/-0.044 vs. 0.402+/-0.011) and ADC increased [GM: 1134+/-203 vs. 899+/-28 (x10(-6) mm(2)/s); WM: 901+/-138 vs. 751+/-17 (x10(-6) mm(2)/s)]. Correlations of water content with FA and ADC in WM were strong (r=-0.68, P<0.02; r=0.75; P<0.01, respectively); those in GM were weaker (r=-0.50, P<0.05; r=0.45, P<0.1, respectively). Likewise, FA and ADC were more strongly correlated in WM (r=-0.88; P<0.00001) than in GM (r=-0.69, P<0.01). The demonstrated relationship between DTI parameters and water content in multiple sclerosis patients suggests a potential for therapy monitoring in normal-appearing brain tissue.
NASA Astrophysics Data System (ADS)
Manouchehrian Fard, Manouchehr; Beiki, Hossein
2016-10-01
An experimental study was performed to measure benzoic acid diffusion coefficient in water-based γ-Al2O3 nanofluids at different temperatures. Measurements were carried out at 15, 20 and 25 °C. γ-Al2O3 nanoparticles with an average diameter of 10-20 nm were added into de-ionized water as the based fluid. Nanoparticles volume fractions used in the based fluid were 0.025, 0.05, 0.1, 0.2, 0.4 and 0.8 %. Measurements showed that the diffusion coefficients was not changed with nanoparticles concentration and no enhancement was found. Dependence of diffusion coefficients on nanoparticles concentration followed the same trend in all temperatures investigated in this work. Nano stirring and nano-obstacles could be regarded as two reasons for mass diffusivity changes in nanofluids.
NASA Technical Reports Server (NTRS)
Mogro-Campero, A.; Fillius, W.
1976-01-01
The process of trapped particle absorption by the inner Jovian satellites is considered in detail taking into account both the particle and satellite motions in a magnetic dipole field which is displaced from the center of the planet and tilted with respect to the planetary rotation axis. An expression is derived for computing the sweeping time at a given satellite, defined as the time required for the satellite to sweep up a given fraction of the trapped particles within its sweeping region. By making use of the sweeping time and the radial diffusion equation of particle transport approximate expressions for the diffusion coefficient are derived. Measurements obtained by Pioneer 10 are then used to obtain estimates of the diffusion coefficient at the orbits of Io and Europa. We find that the diffusion coefficient is a function of energy and magnetic latitude for electrons in the energy range 0.7-14 MeV.
2014-01-01
Background Diffusion tensor cardiac magnetic resonance (DT-CMR) enables probing of the microarchitecture of the myocardium, but the apparent diffusion coefficient (ADC) and fractional anisotropy (FA) reported in healthy volunteers have been inconsistent. The aim of this study was to validate a stimulated-echo diffusion sequence using phantoms, and to assess the intercentre reproducibility of in-vivo diffusion measures using the sequence. Methods and results A stimulated-echo, cardiac-gated DT-CMR sequence with a reduced-field-of-view, single-shot EPI readout was used at two centres with 3 T MRI scanners. Four alkane phantoms with known diffusivities were scanned at a single centre using a stimulated echo sequence and a spin-echo Stejskal-Tanner diffusion sequence. The median (maximum, minimum) difference between the DT-CMR sequence and Stejskal-Tanner sequence was 0.01 (0.04, 0.0006) × 10-3 mm2/s (2%), and between the DT-CMR sequence and literature diffusivities was 0.02 (0.05, 0.006) × 10-3 mm2/s (4%). The same ten healthy volunteers were scanned using the DT-CMR sequence at the two centres less than seven days apart. Average ADC and FA were calculated in a single mid-ventricular, short axis slice. Intercentre differences were tested for statistical significance at the p < 0.05 level using paired t-tests. The mean ADC ± standard deviation for all subjects averaged over both centres was 1.10 ± 0.06 × 10-3 mm2/s in systole and 1.20 ± 0.09 × 10-3 mm2/s in diastole; FA was 0.41 ± 0.04 in systole and 0.54 ± 0.03 in diastole. With similarly-drawn regions-of-interest, systolic ADC (difference 0.05 × 10-3 mm2/s), systolic FA (difference 0.003) and diastolic FA (difference 0.01) were not statistically significantly different between centres (p > 0.05), and only the diastolic ADC showed a statistically significant, but numerically small, difference of 0.07 × 10-3 mm2/s (p = 0.047). The intercentre, intrasubject coefficients
Surface diffusion coefficient of Au atoms on single layer graphene grown on Cu
Ruffino, F. Cacciato, G.; Grimaldi, M. G.
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.
Dos Santos, Leslie; Laberty-Robert, Christel; Maréchal, Manuel; Perrot, Hubert; Sel, Ozlem
2015-09-15
Electrochemical Impedance Spectroscopy (EIS) was, for the first time, used to estimate the global transverse proton diffusion coefficient, D(H+)(EHM), in electrospun hybrid conducting membranes (EHMs). In contrast to conventional impedance spectroscopy, EIS measurements were performed at room temperature with a liquid interface. In this configuration, the measure of the bulk proton transport is influenced by the kinetics of the transfer of proton at the solid/liquid interface. We demonstrated that the use of additives in the process of the membrane impacts the organization of the hydrophilic domains and also the proton transport. The D(H+)(EHM) is close to 1.10(-7) cm(2) s(-1) (± 0.1.10(-7) cm(2) s(-1)) for the EHMs without additive, whereas it is 4.10(-6) cm(2) s(-1) (± 0.4.10(-6) cm(2) s(-1)) for EHMs with additives.
Alipoor, Mohammad; Maier, Stephan E.; Gu, Irene Yu-Hua; Mehnert, Andrew; Kahl, Fredrik
2015-01-01
The monoexponential model is widely used in quantitative biomedical imaging. Notable applications include apparent diffusion coefficient (ADC) imaging and pharmacokinetics. The application of ADC imaging to the detection of malignant tissue has in turn prompted several studies concerning optimal experiment design for monoexponential model fitting. In this paper, we propose a new experiment design method that is based on minimizing the determinant of the covariance matrix of the estimated parameters (D-optimal design). In contrast to previous methods, D-optimal design is independent of the imaged quantities. Applying this method to ADC imaging, we demonstrate its steady performance for the whole range of input variables (imaged parameters, number of measurements, and range of b-values). Using Monte Carlo simulations we show that the D-optimal design outperforms existing experiment design methods in terms of accuracy and precision of the estimated parameters. PMID:26839880
Binary Diffusion Coefficients of Platinum(II) Acetylacetonate in Supercritical Carbon Dioxide.
Kong, Chang Yi; Siratori, Tomoya; Wang, Guosheng; Sako, Takeshi; Funazukuri, Toshitaka
2013-11-14
Binary diffusion coefficients (D12) and retention factors (k) of platinum(II) acetylacetonate at infinitesimal concentration in supercritical (sc) carbon dioxide (CO2) were measured by the chromatographic impulse response method with a poly(ethylene glycol) coated capillary column at temperatures from (308.15 to 343.15) K and pressures from (8.5 to 40.0) MPa, and D12 in liquid ethanol at temperatures from (298.15 to 333.15) K and atmospheric pressure by the Taylor dispersion method. As has been seen for our previously reported data on other metal complexes measured in sc CO2 and organic solvents, the D12 data in sc CO2 and liquid ethanol were represented by a function of temperature and solvent viscosity. The D12 values for metal complexes were not related to the solute molecular weights. The k values in sc CO2 were expressed by a function of temperature and CO2 density.
Energetic particle diffusion coefficients upstream of quasi-parallel interplanetary shocks
NASA Technical Reports Server (NTRS)
Tan, L. C.; Mason, G. M.; Gloeckler, G.; Ipavich, F. M.
1989-01-01
The properties of about 30 to 130-keV/e protons and alpha particles upstream of six quasi-parallel interplanetary shocks that passed by the ISEE 3 spacecraft during 1978-1979 were analyzed, and the values for the upstream energegic particle diffusion coefficient, kappa, in these six events were deduced for a number of energies and upstream positions. These observations were compared with predictions of Lee's (1983) theory of shock acceleration. It was found that the observations verified the prediction of the A/Q dependence (where A and Q are the particle atomic mass and ionization state, respectively) of kappa for alpha and proton particles upstream of the quasi-parallel shocks.
Curing and diffusion coefficient study in pastırma, a Turkish traditional meat product.
Akköse, Ahmet; Aktaş, Nesimi
2014-01-01
Changes in water activity (a(w)), moisture and salt contents and salt effective diffusion coefficients (D(eff)) of pastırma samples during the curing process were determined. At the end of the curing stage, a(w) values decreased to 0.942. The average initial moisture content of the samples decreased from 74.56% to 66.64%, depending on the curing time and the average salt content increased to 15.65 g NaCl/100 g dry matter at the end of the 48-hour curing process. Pastırma samples were assumed the geometry of endless slices, and the analytical solution of Fick's second equation was used for determination of salt D(eff) values. Salt D(eff) values were found to vary between 1.49×10(-9)-4.08×10(-9) m(2)/s.
Alipoor, Mohammad; Maier, Stephan E; Gu, Irene Yu-Hua; Mehnert, Andrew; Kahl, Fredrik
2015-01-01
The monoexponential model is widely used in quantitative biomedical imaging. Notable applications include apparent diffusion coefficient (ADC) imaging and pharmacokinetics. The application of ADC imaging to the detection of malignant tissue has in turn prompted several studies concerning optimal experiment design for monoexponential model fitting. In this paper, we propose a new experiment design method that is based on minimizing the determinant of the covariance matrix of the estimated parameters (D-optimal design). In contrast to previous methods, D-optimal design is independent of the imaged quantities. Applying this method to ADC imaging, we demonstrate its steady performance for the whole range of input variables (imaged parameters, number of measurements, and range of b-values). Using Monte Carlo simulations we show that the D-optimal design outperforms existing experiment design methods in terms of accuracy and precision of the estimated parameters.
The diffusion coefficient of vacancies and jump length of electrons in zinc doped manganese ferrite
NASA Astrophysics Data System (ADS)
Tawfik, A.; Olofa, S. A.
1997-10-01
Samples of mixed ferrite Mn 1- xZn xFe 2O 4 ( x = 0.0, 0.1, 0.3, 0.5 and 0.7) have been prepared by the usual ceramic technique. X-ray diffraction patterns confirmed the spinel cubic structure for the samples. The jump length of electrons in the octahedral sites and electrical conductivity were studied as a function of zinc concentration. The increase of the jump length with Zn concentration is attributed to the substitution of Fe 3+ for Zn 2+ at the A sites which increase the B-B interaction. The increase of the diffusion coefficient and jump rate of vacancies with increasing Zn concentration expedite densification of the samples during sintering.
The effective diffusion coefficient of a small molecule in a two-phase gel medium
NASA Astrophysics Data System (ADS)
Kingsburry, Christine; Slater, Gary W.
2009-12-01
Using simple theoretical arguments and exact numerical lattice calculations, Hickey et al. [J. Chem. Phys. 124, 204903 (2006)] derived and tested an expression for the effective diffusion coefficient of a probe molecule in a two-phase medium consisting of a hydrogel with large gel-free inclusions. Although providing accurate predictions, this expression neglects important characteristics that such two-phase systems can present. In this article, we extend the previously derived expression in order to include local interactions between the gel and the analyte, interfacial effects between the main phase and the inclusions, and finally a possible incomplete separation between the two phases. We test our new, generalized expressions using exact numerical calculations. These generalized equations should be a useful tool for the development of novel multiphase systems for specific applications, such as drug-delivery platforms.
A uniqueness result for the identification of a time-dependent diffusion coefficient
NASA Astrophysics Data System (ADS)
Fraguela, A.; Infante, J. A.; Ramos, A. M.; Rey, J. M.
2013-12-01
This paper deals with the problem of determining the time-dependent thermal diffusivity coefficient of a medium, when the evolution of the temperature in a part of it is known. Such situations arise in the context of food technology, when thermal processes at high pressures are used for extending the shelf life of the food, in order to preserve its nutritional and organoleptic properties (Infante et al 2009 On the Modelling and Simulation of High Pressure Processes and Inactivation of Enzymes in Food Engineering pp 2203-29 and Otero et al 2007 J. Food Eng. 78 1463-70). The phenomenon is modeled by the heat equation involving a term which depends on the source temperature and pressure increase, and appropriate initial and boundary conditions. We study the inverse problem of determining time-dependent thermal diffusivities k, when some temperature measurements at the border and inside the medium are known. We prove the uniqueness of the inverse problem solution under suitable a priori assumptions on regularity, size and growth of k.
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.
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
van de Lagemaat, J.; Zhu, K.; Benkstein, K. D.; Frank, A. J.
2008-02-01
Electron transport in electrolyte-filled mesoporous TiO{sub 2}-based solar cells is described quantitatively from the perspective of the continuous-time random walk model. An analytical expression is derived for the time-dependent diffusion coefficient of electrons, which transforms at a characteristic (Fermi) time from strongly time-dependent values (dispersive transport) at short times to relatively time-independent values (nondispersive transport) at long times. At short times, the diffusion coefficient displays a power-law behavior with time. The timescale for the diffusion coefficient to reach its steady-state value is substantially longer than the Fermi time. The Fermi time and the steepness of the distribution of waiting times associated with trap sites have a strong influence on both the steady-state diffusion coefficient of electrons and on the dispersiveness of electron transport. At short timescales, ionic drag, associated with the ambipolar effect, slows electron transport through the TiO{sub 2} matrix, whereas at steady state, transport is trap limited. Decreasing the electron density lowers the steady-state limit of the diffusion coefficient and increases the timescale over which transport is dispersive.
First-principles binary diffusion coefficients for H, H2 and four normal alkanes + N2
Jasper, Ahren W.; Kamarchik, Eugene; Miller, James A.; Klippenstein, Stephen J.
2014-09-30
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 C n H2n+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 structuremore » 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
First-principles binary diffusion coefficients for H, H₂, and four normal alkanes + N₂.
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
First-principles binary diffusion coefficients for H, H₂, and four normal alkanes + N₂.
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
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
Drift Tube Measurements of Mobilities and Longitudinal Diffusion Coefficients of Ions in Gases.
NASA Astrophysics Data System (ADS)
Chelf, Roger Dale
The zero-field mobilities of Br('-) and NH(,4)('+) in O(,2) were determined as a function of gas temperature in a high pressure drift tube mass spectrometer. The mobilities and longitudinal diffusion coefficients of the ion-gas combinations Br('-) in Ne and Kr, Li('+) in Xe, and Tl('+) in Kr and Xe were determined as a function of E/N, where E is the electric field strength and N is the gas number density in a low pressure drift tube mass spectrometer. The measured longitudinal diffusion coefficients were used for a test and comparison of the generalized Einstein relations of Viehland-Mason and Waldman-Mason theories. The measured mobilities of Br('-) in Kr and Tl('+) in Kr were used in an iterative-inversion scheme from which the ion-neutral interaction potentials were determined. The zero-field reduced mobility of Br('-) in O(,2) ranged from 2.6 cm('2)/(V-sec) at 297(DEGREES)K to 3.0 cm('2)/(V-sec) at 600(DEGREES)K. The zero-field reduced mobility of NH(,4)('+) in O(,2) ranged from 3.4 cm('2)/(V -sec) at 418(DEGREES)K to 3.7 cm('2)/(V-sec) at 561(DEGREES)K. The zero-field values of the reduced mobilities measured as a function of E/N in units of cm('2)/(V-sec) are as follows: Br('-) in Kr (1.47 (+OR-) .03), Br('-) in Ne (6.94 (+OR -) .14), Li('+) in Xe (2.68 (+OR-) .05), Tl('+) in Kr (1.15 (+OR-) .03), and Tl('+) in Xe (.78 (+OR-) .02). The ion -gas combinations of Br('-) in Kr, Li('+) in Xe, and Tl('+) in Kr displayed the typical mobility peaks. The peak values in cm('2)/(V-sec) are for Br('-) in Kr, Li('+) in Xe, and Tl('+) in Kr respectively: (1.81 (+OR-) 0.4) at 130 Td, 4.47 (+OR-) .09 at 135 Td, and 1.42 (+OR-) .04 at 285 Td. The measured longitudinal diffusion coefficients were compared to the Einstein values in the low-field limit. Comparisons between the experimental values and the generalized Einstein relations (GER) of Viehland-Mason and Waldman-Mason were made at all E/N values. All comparisons were favorable within the error ranges. In general, the
Zheng, De-Xian; Meng, Shu-Chun; Liu, Qing-Jun; Li, Chuan-Ting; Shang, Xi-Dan; Zhu, Yu-Seng; Bai, Tian-Jun; Xu, Shi-Ming
2016-01-01
AIM: To determine if efficacy of chemotherapy on liver metastasis of gastrointestinal tract cancer can be predicted by apparent diffusion coefficient (ADC) values of diffusion-weighted imaging (DWI). METHODS: In total, 86 patients with liver metastasis of gastrointestinal tract cancer (156 metastatic lesions) diagnosed in our hospital were included in this study. The maximum diameters of these tumors were compared with each other before treatment, 2 wk after treatment, and 12 wk after treatment. Selected patients were classified as the effective group and the ineffective group, depending on the maximum diameter of the tumor after 12 wk of treatment; and the ADC values at different treatment times between the two groups were compared. Spearman rank correlation was used to analyze the relationship between ADC value and tumor diameter. Receiver operating characteristic curve (ROC curve) was used to analyze the ADC values before treatment to predict the patient’s sensitivity and specificity degree of efficacy to the chemotherapy. RESULTS: There was no difference in age between the two groups and in maximum tumor diameter before treatment and 2 wk after treatment. However, after 12 wk of treatment, maximum tumor diameter in the effective group was significantly lower than that in the ineffective group (P < 0.05). Before treatment, ADC values in the ineffective group were significantly higher than those in the effective group (P < 0.05). There was no difference in ADC values between the effective and ineffective groups after 2 and 12 wk of treatment. However, ADC values were significantly higher after 2 and 12 wk of treatment compared to before treatment in the effective group (P < 0.05). Spearman rank correlation analysis showed that ADC value before treatment and the reduced percentage of the maximum tumor diameter after 12 wk of treatment were negatively correlated, while the increase in the percentage of the ADC value 12 wk after treatment and the decrease in the
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.
Jafar, Maysam M; Parsai, Arman; Miquel, Marc E
2016-01-01
There is considerable disparity in the published apparent diffusion coefficient (ADC) values across different anatomies. Institutions are increasingly assessing repeatability and reproducibility of the derived ADC to determine its variation, which could potentially be used as an indicator in determining tumour aggressiveness or assessing tumour response. In this manuscript, a review of selected articles published to date in healthy extra-cranial body diffusion-weighted magnetic resonance imaging is presented, detailing reported ADC values and discussing their variation across different studies. In total 115 studies were selected including 28 for liver parenchyma, 15 for kidney (renal parenchyma), 14 for spleen, 13 for pancreatic body, 6 for gallbladder, 13 for prostate, 13 for uterus (endometrium, myometrium, cervix) and 13 for fibroglandular breast tissue. Median ADC values in selected studies were found to be 1.28 × 10-3 mm2/s in liver, 1.94 × 10-3 mm2/s in kidney, 1.60 × 10-3 mm2/s in pancreatic body, 0.85 × 10-3 mm2/s in spleen, 2.73 × 10-3 mm2/s in gallbladder, 1.64 × 10-3 mm2/s and 1.31 × 10-3 mm2/s in prostate peripheral zone and central gland respectively (combined median value of 1.54×10-3 mm2/s), 1.44 × 10-3 mm2/s in endometrium, 1.53 × 10-3 mm2/s in myometrium, 1.71 × 10-3 mm2/s in cervix and 1.92 × 10-3 mm2/s in breast. In addition, six phantom studies and thirteen in vivo studies were summarized to compare repeatability and reproducibility of the measured ADC. All selected phantom studies demonstrated lower intra-scanner and inter-scanner variation compared to in vivo studies. Based on the findings of this manuscript, it is recommended that protocols need to be optimised for the body part studied and that system-induced variability must be established using a standardized phantom in any clinical study. Reproducibility of the measured ADC must also be assessed in a volunteer population, as variations are far more significant in vivo compared
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 μg/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
Goemans, M.G.E.; Gloyna, E.F.
1996-10-01
The potential of sub- and supercritical water as extraction solvents has been demonstrated for the (reactive) extraction of coals, used car tires, organic species from residual aqueous solutions, and class selective extraction of organic pollutants with different polarities from solids. In addition, the potential of extraction of coal with supercritical aqueous solutions has been studied. However, physical transport in water at elevated temperature and pressures- and their impact on heterogenous reactions and (reactive) extraction -are not adequately understood. This situation is largely due to the limited data that is available for diffusion in high temperature, high pressure water mixture. Only the molecular diffusion of Iodine ions and hydroquinone in near-critical subcritical water and the self diffusion of coefficient of compressed supercritical water have been reported. In this paper, we present molecular diffusion coefficients of benzophenone, acetone, naphthalene, and anthracene in water at infinite dilution. Pressures ranged from 250 to 500 bar at temperatures ranging from 50{degrees}C to 500{degrees}C resulting in water densities ranging from 1000 to 150 kg/m{sup 3}. Diffusion coefficients were determined by the Taylor-Aris dispersion technique. The effects of increased diffusion on the mass transfer coefficients for emulsions and packed beds were quantified. Molecular division coefficients were 10 to 20 times faster in supercritical water than in water at ambient conditions. Experimental results were correlated with hydrodynamic and kinetic theory. This study and results to be published elsewhere show that diffusion-limited conditions are much more likely to be encountered in supercritical water than is commonly acknowledged.
Auria, R; Palacios, J; Revah, S
1992-04-15
A simple experimental diffusion controlled fermentor (DCF), coupled with the use of a mathematical model based on mass balance, is proposed to measure the variation of the gas (CO(2) and O(2)) diffusion coefficients in solid state fermentation. The DCF was packed with an ion-exchange resin impregnated with a nutritive medium and inoculated with Aspergillus niger. The growth conditions in the DCF were very similar to those found in equipment operated with convective oxygen supply. The diffusion coefficient was shown to be very dependent on the biomass concentration within the solid state fermentor, and attained values of less than 5% of the molecular diffusion in air when the biomass in the fermentor reached 27 mg dry/g dry support.
NASA Astrophysics Data System (ADS)
Shalchi, A.
2016-10-01
We explore the transport of energetic particles in two-component turbulence in which the stochastic magnetic field is assumed to be a superposition of slab and two-dimensional modes. It is known that in magnetostatic slab turbulence, the motion of particles across the mean magnetic field is subdiffusive. If a two-dimensional component is added, diffusion is recovered. It was also shown before that in two-component turbulence, the slab modes do not explicitly contribute to the perpendicular diffusion coefficient. In the current paper, the implicit contribution of slab modes is explored and it is shown that this contribution leads to a reduction of the perpendicular diffusion coefficient. This effect improves the agreement between simulations and analytical theory. Furthermore, the obtained results are relevant for investigations of diffusive shock acceleration.
Długosz, Maciej; Antosiewicz, Jan M
2014-01-14
We have investigated the rotational dynamics of hen egg white lysozyme in monodisperse aqueous solutions of concentrations up to 250 mg/mL, using a rigid-body Brownian dynamics method that accurately accounts for anisotropies of diffusing objects. We have examined the validity of the free diffusion concept in the analysis of computer simulations of volume-occupied molecular solutions. We have found that, when as the only intermolecular interaction, the excluded volume effect is considered, rotational diffusion of molecules adheres to the free diffusion model. Further, we present a method based on the exact (in the case of the free diffusion) analytic forms of autocorrelation functions of particular vectors rigidly attached to diffusing objects, which allows one to obtain from results of molecular simulations the three principal rotational diffusion coefficients characterizing rotational Brownian motion of an arbitrarily shaped rigid particle for an arbitrary concentration of crowders. We have applied this approach to trajectories resulting from Brownian dynamics simulations of hen egg white lysozyme solutions. We show that the apparent anisotropy of proteins' rotational motions increases with an increasing degree of crowding. Finally, we demonstrate that even if the hydrodynamic anisotropy of molecules is neglected and molecules are simulated using their average translational and rotational diffusion coefficients, excluded volume effects still lead to their anisotropic rotational dynamics.
Cheng, Kai-Chung; Acevedo-Bolton, Viviana; Jiang, Ruo-Ting; Klepeis, Neil E; Ott, Wayne R; Fringer, Oliver B; Hildemann, Lynn M
2011-05-01
For modeling exposure close to an indoor air pollution source, an isotropic turbulent diffusion coefficient is used to represent the average spread of emissions. However, its magnitude indoors has been difficult to assess experimentally due to limitations in the number of monitors available. We used 30-37 real-time monitors to simultaneously measure CO at different angles and distances from a continuous indoor point source. For 11 experiments involving two houses, with natural ventilation conditions ranging from <0.2 to >5 air changes per h, an eddy diffusion model was used to estimate the turbulent diffusion coefficients, which ranged from 0.001 to 0.013 m² s⁻¹. The model reproduced observed concentrations with reasonable accuracy over radial distances of 0.25-5.0 m. The air change rate, as measured using a SF₆ tracer gas release, showed a significant positive linear correlation with the air mixing rate, defined as the turbulent diffusion coefficient divided by a squared length scale representing the room size. The ability to estimate the indoor turbulent diffusion coefficient using two readily measurable parameters (air change rate and room dimensions) is useful for accurately modeling exposures in close proximity to an indoor pollution source.
Marmer, G.J.; Dunn, C.P.; Filley, T.H.; Moeller, K.L.; Pfingston, J.M.; Policastro, A.J.; Cleland, J.H.
1991-09-01
Uranium enrichment in the United States has utilized a diffusion process to preferentially enrich the U-235 isotope in the uranium product. In the 1970s, the US Department of Energy (DOE) began investigating more efficient and cost-effective enrichment technologies. In January 1990, the Secretary of Energy approved a plan for the demonstration and deployment of the Uranium Atomic Vapor Laser isotope Separation (U-AVLIS) technology with the near-term goal to provide the necessary information to make a deployment decision by November 1992. Initial facility operation is anticipated for 1999. A programmatic document for use in screening DOE sites to locate a U-AVLIS production plant was developed and implemented in two parts. The first part consisted of a series of screening analyses, based on exclusionary and other criteria, that identified a reasonable number of candidate sites. The final evaluation, which included sensitivity studies, identified the Oak Ridge Gaseous Diffusion Plant (ORGDP) site, the Paducah Gaseous Diffusion Plant (PGDP) site, and the Portsmouth Gaseous Diffusion Plant (PORTS) site as having significant advantages over the other sites considered. This environmental site description (ESD) provides a detailed description of the PORTS site and vicinity suitable for use in an environmental impact statement (EIS). This report is based on existing literature, data collected at the site, and information collected by Argonne National Laboratory (ANL) staff during site visits. The organization of the ESD is as follows. Topics addressed in Sec. 2 include a general site description and the disciplines of geology, water resources, biotic resources, air resources, noise, cultural resources, land use. Socioeconomics, and waste management. Identification of any additional data that would be required for an EIS is presented in Sec. 3.
NASA Astrophysics Data System (ADS)
Guilet, Jérôme; Ogilvie, Gordon I.
2013-04-01
We investigate the radial transport of magnetic flux in a thin accretion disc, the turbulence being modelled by effective diffusion coefficients (viscosity and resistivity). Both turbulent diffusion and advection by the accretion flow contribute to flux transport, and they are likely to act in opposition. We study the consequences of the vertical variation of the diffusion coefficients, due to a varying strength of the turbulence. For this purpose, we consider three different vertical profiles of these coefficients. The first one is aimed at mimicking the turbulent stress profile observed in numerical simulations of magnetohydrodynamic turbulence in stratified discs. This enables us to confirm the robustness of the main result of Paper I obtained for uniform diffusion coefficients that, for weak magnetic fields, the contribution of the accretion flow to the transport velocity of magnetic flux is much larger than the transport velocity of mass. We then consider the presence of a dead zone around the equatorial plane where the physical resistivity is high while the turbulent viscosity is low. We find that it amplifies the previous effect: weak magnetic fields can be advected orders of magnitude faster than mass, for dead zones with a large vertical extension. The ratio of advection to diffusion, determining the maximum inclination of the field at the surface of the disc, is however not much affected. Finally, we study the effect of a non-turbulent layer at the surface of the disc, which has been suggested as a way to reduce the diffusion of the magnetic flux. We find that the reduction of the diffusion requires the conducting layer to extend below the height at which the magnetic pressure equals the thermal pressure. As a consequence, if the absence of turbulence is caused by the large-scale magnetic field, the highly conducting layer is inefficient at reducing the diffusion.
Jakubovic, Raphael; Zhou, Stephanie; Heyn, Chris; Soliman, Hany; Zhang, Liyang; Aviv, Richard; Sahgal, Arjun
2016-03-01
To investigate the predictive capacity of the apparent diffusion coefficient (ADC) as a biomarker of radiation response in brain metastases. Seventy brain metastases from 42 patients treated with either stereotactic radiosurgery or whole brain radiotherapy were imaged at baseline, 1 week, and 1 month post-treatment using diffusion-weighted MRI. Mean and median relative ADC for metastases was calculated by normalizing ADC measurements to baseline ADC. At 1 year post-treatment, or last available follow-up MRI, volume criteria determined final tumour response status. Uni- and multivariate analysis was used to account for factors associated with tumour response at 1 week and 1 month. A generalized estimating equations model took into consideration multiple tumours per subject. Optimal thresholds that distinguished responders from non-responders, as well as sensitivity and specificity were determined by receiver operator characteristic analysis and Youden's index. Lower relative ADC values distinguished responders from non-responders at 1 week and 1 month (P < 0.05). Optimal cut-off values for response were 1.060 at 1 week with a sensitivity and specificity of 75.0 and 56.3 %, respectively. At 1 month, the cut-off was 0.971 with a sensitivity and specificity of 70.0 and 68.8 %, respectively. A multivariate general estimating equations analysis identified no prior radiation [odds ratio (OR) 0.211 and 0.137, P = 0.033 and 0.0177], and a lower median relative ADC at 1 week and 1 month (OR 0.619 and 0.694, P = 0.0036 and 0.005), as predictors of tumour response. Lower relative ADC values at 1 week and 1 month following radiation distinguished responders from non-responders and may be a promising biomarker of early radiation response.
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.
Bozkurt Bostan, Tuğba; Koç, Gonca; Sezgin, Gülten; Altay, Canan; Fazıl Gelal, M.; Oyar, Orhan
2016-01-01
Background: Magnetic resonance imaging (MRI) has become a diagnostic and problem solving method for the breast examinations in addition to conventional breast examination methods. Diffusion-weighted imaging (DWI) adds valuable information to conventional MRI. Aims: Our aim was to show the impact of apparent diffusion coefficient (ADC) values acquired with DWI to differentiate benign and malignant breast lesions. Study Design: Diagnostic accuracy study. Methods: Forty-six women with 58 breast masses (35 malignant, 23 benign) were examined on a 1.5 T clinical MRI scanner. The morphologic characteristics of the lesions on conventional MRI sequences and contrast uptake pattern were assessed. ADC values of both lesions and normal breast parenchyma were measured. The ADC values obtained were statistically compared with the histopathologic results using Paired Samples t-Test. Results: Multiple lesions were detected in 12 (26%) of the patients, while only one lesion was detected in 34 (74%). Overall, 35 lesions out of 58 were histopathologically proven to be malignant. In the dynamic contrast-enhanced series, 5 of the malignant lesions were type 1, while 8 benign lesions revealed either type 2 or 3 time signal intensity curves (85% sensitivity, 56% spesifity). Mean ADC values were significantly different in malignant vs. benign lesions. (1.04±0.29×10−3 cm2/sec vs. 1.61±0.50×10−3 cm2/sec for the malignant and benign lesions, respectively, p=0.03). A cut-off value of 1.30×10−3 mm2/sec for ADC detected with receiver operating characteristic analysis yielded 89.1% sensitivity and 100% specificity for the differentiation between benign and malignant lesions. Conclusion: ADC values improve the diagnostic accuracy of solid breast lesions when evaluated with the conventional MRI sequences. Therefore, DWI should be incorporated to routine breast MRI protocol. PMID:27308073
Katirag, Ahmet; Beker-Acay, Mehtap; Unlu, Ebru; Demirbas, Hayri; Demirturk, Nese
2016-01-01
Objective: Our purpose was to reveal the efficiency of diffusion weighted imaging (DWI) in the diagnosis of encephalitis, and to determine the relation between the apparent diffusion coefficient (ADC) values, the onset of the clinical symptoms, and the lesion extent. Methods: Conventional magnetic resonance imaging (MRI) was performed in 17 patients with encephalitis diagnosed on the basis of laboratory, clinical and radiologic findings during 2009 and 2015. Based on the duration between the onset of the symptoms and the brain MRI findings, the patients were divided into three groups. ADC values of the encephalitis lesion, the lesions’ topographic analysis score, deep gray matter involvement, patients’ clinical situation and the duration of the arrival to the clinic was examined. Results: Mean ADC values were 0,988±0,335 x10-3 mm2/s in group I (0-2 days), 1,045±0,347 x10-3 mm2/s in Group-II (3-7 days), 1,451±0,225 x10-3 mm2/s in Group-III (8 days and over). The relation between the ADC values and the duration of the arrival, topographic analysis score, the relation between the patients’ clinical situation and the deep gray matter involvement were found to be statistically significant. The deep gray matter involvement was demonstrated more clearly by FLAIR images when compared with DWI. Conclusion: Conventional MRI sequences may be insufficient in showing the encephalitis lesion. DWI must be added to the imaging modalities immediately in the cases suspected of having encephalitis. PMID:27375722
Kopp, Joshua D
2007-06-01
To determine the future extent of the TCE contamination plume at PGDP, a groundwater and solute transport model has been developed by the Department of Energy (DOE). The model used to perform these calculations is MODFLOWT which is an enhanced groundwater transport model developed by the United States Geological Survey (USGS). MODFLOWT models groundwater movement as well as the transport of species that are subject to adsorption and decay by using a finite difference method (Duffield et al 2001). A significant limitation of MODFLOWT is that it requires large amounts of data. This data can be difficult and expensive to obtain. MODFLOWT also requires excessive computational time to perform one simulation. It is desirable to have a model that can predict the spatial extent of the contaminant plume without as much required data and that does not require excessive computational times. The purpose of this study is to develop and alternative model to MODFLOWT that can produce similar results for possible use in a companion management model. The alternative model used in this study is an artificial neural network (ANN).
Shalchi, A.
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.
Yuan, Zhen; Wang, Qiang; Jiang, Huabei
2007-12-24
We describe a novel reconstruction method that allows for quantitative recovery of optical absorption coefficient maps of heterogeneous media using tomographic photoacoustic measurements. Images of optical absorption coefficient are obtained from a diffusion equation based regularized Newton method where the absorbed energy density distribution from conventional photoacoustic tomography serves as the measured field data. We experimentally demonstrate this new method using tissue-mimicking phantom measurements and simulations. The reconstruction results show that the optical absorption coefficient images obtained are quantitative in terms of the shape, size, location and optical property values of the heterogeneities examined.
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.
Vijayakumar, C; Damayanti, Gharpure; Pant, R; Sreedhar, C M
2007-10-01
An accurate computer-assisted method to perform segmentation of brain tumor on apparent diffusion coefficient (ADC) images and evaluate its grade (malignancy state) has been designed using a mixture of unsupervised artificial neural networks (ANN) and hierarchical multiresolution wavelet. Firstly, the ADC images are decomposed by multiresolution wavelets, which are subsequently selectively reconstructed to form wavelet filtered images. These wavelet filtered images along with FLAIR and T2 weighted images have been utilized as the features to unsupervised neural network - self organizing maps (SOM) - to segment the tumor, edema, necrosis, CSF and normal tissue and grade the malignant state of the tumor. A novel segmentation algorithm based on the number of hits experienced by Best Matching Units (BMU) on SOM maps is proposed. The results shows that the SOM performs well in differentiating the tumor, edema, necrosis, CSF and normal tissue pattern vectors on ADC images. Using the trained SOM and proposed segmentation algorithm, we are able to identify high or low grade tumor, edema, necrosis, CSF and normal tissue. The results are validated against manually segmented images and sensitivity and the specificity are observed to be 0.86 and 0.93, respectively. PMID:17572068
Lee, Jeongwon; Choi, Seung Hong; Kim, Ji-Hoon; Sohn, Chul-Ho; Lee, Sooyeul; Jeong, Jaeseung
2014-09-01
The accurate diagnosis of glioma subtypes is critical for appropriate treatment, but conventional histopathologic diagnosis often exhibits significant intra-observer variability and sampling error. The aim of this study was to investigate whether histogram analysis using an automatically segmented region of interest (ROI), excluding cystic or necrotic portions, could improve the differentiation between low-grade and high-grade gliomas. Thirty-two patients (nine low-grade and 23 high-grade gliomas) were included in this retrospective investigation. The outer boundaries of the entire tumors were manually drawn in each section of the contrast-enhanced T1 -weighted MR images. We excluded cystic or necrotic portions from the entire tumor volume. The histogram analyses were performed within the ROI on normalized apparent diffusion coefficient (ADC) maps. To evaluate the contribution of the proposed method to glioma grading, we compared the area under the receiver operating characteristic (ROC) curves. We found that an ROI excluding cystic or necrotic portions was more useful for glioma grading than was an entire tumor ROI. In the case of the fifth percentile values of the normalized ADC histogram, the area under the ROC curve for the tumor ROIs excluding cystic or necrotic portions was significantly higher than that for the entire tumor ROIs (p < 0.005). The automatic segmentation of a cystic or necrotic area probably improves the ability to differentiate between high- and low-grade gliomas on an ADC map. PMID:25042540
Hosoya, Osamu; Chono, Sumio; Saso, Yuko; Juni, Kazuhiko; Morimoto, Kazuhiro; Seki, Toshinobu
2004-12-01
The diffusion coefficient (D) of peptide and protein drugs needs to be determined to examine the permeability through biological barriers and to optimize delivery systems. In this study, the D values of fluorescein isothiocyanate (FITC)-labelled dextrans (FDs) and peptides were determined and the permeability through a porous membrane was discussed. The observed D values of FDs and peptides, except in the case of insulin, were similar to those calculated based on a relationship previously reported between the molecular weight and D of lower-molecular-weight compounds, although the molecular weight range was completely different. The observed D value of insulin was between the calculated values for the insulin monomer and hexamer. The permeability of poly-lysine and insulin through the membrane was determined and the observed values were compared with predicted values by using the relationship between molecular weight and D and an equation based on the Renkin function. The observed permeability of insulin through the membrane was between that of the predicted permeability for the insulin monomer and hexamer. For the permeation of insulin, the determination of D was useful for estimating the permeability because of the irregular relationship between molecular weight and D. The methodology used in this study will be useful for a more quantitative evaluation of the absorption of peptide and protein drugs applied to mucous membranes.
NASA Astrophysics Data System (ADS)
Takebe, M.; Satoh, Y.; Iinuma, K.; Seto, K.
1982-03-01
The mobility of Li+ ions has been measured in Ar, Kr, and Xe at room temperature over the E/N range 6-218 Td in Ar, 8-216 Td in Kr, and 8-228 Td in Xe using a drift tube without mass spectrometer. The pressures used were 0.3-2.0 Torr for argon and 0.5-2.0 Torr for krypton and xenon. It is found that mobilities can be deduced from arrival time spectra which have been affected by reactions. The zero-field reduced mobilities are found to be 4.56±0.05 cm2/V s for Ar, 3.65±0.04 cm2/V s for Kr, and 2.77±0.03 cm2/V s for Xe. These mobility values are higher than the Langevin values by 2.3%, 4.9%, and 3.4%, respectively. The longitudinal diffusion coefficients were also measured and compared with values calculated using the generalized Einstein relations and the present mobility data. The experimental values are somewhat higher than the calculations in all cases.
Sun, Licun; Pu, Xiaoyun
2016-01-01
A visualization and quantification optical method for measuring binary liquid diffusion coefficient (D) based on an asymmetric liquid-core cylindrical lens (ALCL) is introduced in this paper. Four groups of control experiments were performed to verify the influences of diffusing substance category, concentration and temperature on diffusion process, and the measured D values were well consistent with data measured by Holographic interferometry and Taylor dispersion methods. The drifting of the diffusion image recorded by CCD reflects the diffusion rate visually in an easily understandable way. This optical method for measuring D values based on the ALCL is characterized by visual measurement, simplified device, and easy operation, which provides a new way for measuring liquid D value visually. PMID:27325006
Sun, Licun; Pu, Xiaoyun
2016-01-01
A visualization and quantification optical method for measuring binary liquid diffusion coefficient (D) based on an asymmetric liquid-core cylindrical lens (ALCL) is introduced in this paper. Four groups of control experiments were performed to verify the influences of diffusing substance category, concentration and temperature on diffusion process, and the measured D values were well consistent with data measured by Holographic interferometry and Taylor dispersion methods. The drifting of the diffusion image recorded by CCD reflects the diffusion rate visually in an easily understandable way. This optical method for measuring D values based on the ALCL is characterized by visual measurement, simplified device, and easy operation, which provides a new way for measuring liquid D value visually. PMID:27325006
Marchal, D; Boireau, W; Laval, J M; Moiroux, J; Bourdillon, C
1998-01-01
The long-range diffusion coefficients of isoprenoid quinones in a model of lipid bilayer were determined by a method avoiding fluorescent probe labeling of the molecules. The quinone electron carriers were incorporated in supported dimyristoylphosphatidylcholine layers at physiological molar fractions (<3 mol%). The elaborate bilayer template contained a built-in gold electrode at which the redox molecules solubilized in the bilayer were reduced or oxidized. The lateral diffusion coefficient of a natural quinone like UQ10 or PQ9 was 2.0 +/- 0.4 x 10(-8) cm2 s(-1) at 30 degrees C, two to three times smaller than the diffusion coefficient of a lipid analog in the same artificial bilayer. The lateral mobilities of the oxidized or reduced forms could be determined separately and were found to be identical in the 4-13 pH range. For a series of isoprenoid quinones, UQ2 or PQ2 to UQ10, the diffusion coefficient exhibited a marked dependence on the length of the isoprenoid chain. The data fit very well the quantitative behavior predicted by a continuum fluid model in which the isoprenoid chains are taken as rigid particles moving in the less viscous part of the bilayer and rubbing against the more viscous layers of lipid heads. The present study supports the concept of a homogeneous pool of quinone located in the less viscous region of the bilayer. PMID:9545054
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...
NASA Astrophysics Data System (ADS)
Koutselos, Andreas D.
1996-06-01
The dynamic and transport properties of swarms of ions in a uniform electrostatic field are studied by using a molecular dynamics method. For a representative system, K+ in Ar, using a universal interaction model potential, second and third order ion-velocity correlation functions are determined at various field strengths. From them, Fickian diffusion coefficients parallel and perpendicular to the field, as well as higher order diffusion coefficients, Qzzz, are obtained within estimated overall accuracy 5% and 7%, respectively. Comparisons of the Fickian diffusion coefficients against results of the moment solution of Boltzmann kinetic equation and a Monte Carlo simulation method using the same interaction potential as well as against experimental data, reveal consistency among all calculation procedures and in addition agreement with drift tube measurements. These comparisons provide new tests for the accuracy of the employed interaction potential. The method has been applied for up to third order velocity correlations and diffusion coefficients but it is extendible to higher order dynamic and transport properties.
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.
Majer, G.; Melchior, J. P.
2014-03-07
Precise diffusion measurements of rhodamine 6G (Rh6G) dissolved in D{sub 2}O at concentrations between 50 and 200 μM 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 τ{sub D} of Rh6G was measured by FCS in both D{sub 2}O and H{sub 2}O. The obtained isotopic correction factor, τ{sub D}(D{sub 2}O)/τ{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.
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.
Higaki, M.; Otsuka, T.; Hashizume, K.; Tokunaga, K.; Ezato, K.; Suzuki, S.; Enoeda, M.; Akiba, M.
2015-03-15
Hydrogen diffusion coefficients in a reduced activation ferritic/martensitic steel (F82H) and an oxide dispersion strengthened F82H (ODS-F82H) have been determined from depth profiles of plasma-loaded hydrogen with a tritium imaging plate technique (TIPT) in the temperature range from 298 K to 523 K. Data on hydrogen diffusion coefficients, D, in F82H, are summarized as D [m{sup 2}*s{sup -1}] =1.1*10{sup -7}exp(-16[kJ mol{sup -1}]/RT). The present data indicate almost no trapping effect on hydrogen diffusion due to an excess entry of energetic hydrogen by the plasma loading, which results in saturation of the trapping sites at the surface and even in the bulk. In the case of ODS-F82H, data of hydrogen diffusion coefficients are summarized as D [m{sup 2}*s{sup -1}] =2.2*10{sup -7}exp(-30[kJ mol{sup -1}]/RT) indicating a remarkable trapping effect on hydrogen diffusion caused by tiny oxide particles (Y{sub 2}O{sub 3}) in the bulk of F82H. Such oxide particles introduced in the bulk may play an effective role not only on enhancement of mechanical strength but also on suppression of hydrogen penetration by plasma loading.
NASA Astrophysics Data System (ADS)
Paddison, Stephen J.; Paul, Reginald; Zawodzinski, Thomas A.
2001-10-01
A recently derived mathematical model to compute the effective friction and diffusion coefficients of hydronium ions in hydrated polymer electrolyte membranes is described and tested for dependence on membrane-specific parameters. Contributions to the friction coefficient due to water-polymer, water-hydronium, and hydronium-polymer interactions are determined through computation of force-force correlation functions. The conventional Stokes law friction coefficient of the hydronium ion in bulk water is then "corrected" with these statistically derived contributions and the corresponding diffusion coefficient calculated. For a Nafion® membrane pore with an hydration level of six water molecules per sulfonic acid functional, the model was used to compute friction coefficients for various distributions of the fixed sites, and for different side chain lengths. The model showed substantial sensitivity to these parameters and predicted that for pores of fixed volume and a constant total number of sulfonate groups, the friction on the hydrated proton is the greatest for distributions with high local anionic charge density. In a second series of computations where the radius and length of the pore were varied, the model demonstrated that the proton diffusion increases with increasing channel diameter. These calculations, therefore, demonstrate the important predictive capability of this molecular-based, nonequilibrium statistical mechanical model.
NASA Astrophysics Data System (ADS)
Manapova, Aigul
2016-08-01
We consider optimal control problems for second order elliptic equations with non-self-adjoint operators-convection-diffusion problems. Control processes are described by semi-linear convection-diffusion equation with discontinuous data and solutions (states) subject to the boundary interface conditions of imperfect type (i.e., problems with a jump of the coefficients and the solution on the interface; the jump of the solution is proportional to the normal component of the flux). Controls are involved in the coefficients of diffusion and convective transfer. We prove differentiability and Lipshitz continuity of the cost functional, depending on a state of the system and a control. The calculation of the gradients uses the numerical solutions of direct problems for the state and adjoint problems.
NASA Astrophysics Data System (ADS)
Bologna, Mauro; Svenkeson, Adam; West, Bruce J.; Grigolini, Paolo
2015-07-01
Diffusion processes in heterogeneous media, and biological systems in particular, are riddled with the difficult theoretical issue of whether the true origin of anomalous behavior is renewal or memory, or a special combination of the two. Accounting for the possible mixture of renewal and memory sources of subdiffusion is challenging from a computational point of view as well. This problem is exacerbated by the limited number of techniques available for solving fractional diffusion equations with time-dependent coefficients. We propose an iterative scheme for solving fractional differential equations with time-dependent coefficients that is based on a parametric expansion in the fractional index. We demonstrate how this method can be used to predict the long-time behavior of nonautonomous fractional differential equations by studying the anomalous diffusion process arising from a mixture of renewal and memory sources.
NASA Technical Reports Server (NTRS)
Gloeckler, G.; Ipavich, F. M.; Klecker, B.; Hovestadt, D.; Scholer, M.
1985-01-01
Characteristics of wuprathermal particles accelerated by quasi-parallel interplanetary traveling shocks have been generally explained in terms of a first order Fermi mechanism. Such models require diffusive scattering of particles upstream of the shock. This scattering is characterized by a local diffusion coefficient, kappa, which is determined by the local power density of waves in the upstream region. The dependence of the diffusion coefficient of suprathermal upstream protons on distance from the November 12, 1978 interplanetary traveling shock using a different approach is studied. Unlike previous studies this method, which is based on measurements of particle streaming and intensity gradients, does not rely on predictions. The local spatial variations of Kappa upstream of the November 12, 1978 shock have been chosen for study because the characteristics of this quasi-parallel shock have been extensively studied, and also because of its favorable geometry (i.e. B field nearly radial).
Evaluation of Apparent Diffusion Coefficient Values in Spinal Tuberculosis by MRI
Sachdeva, Primal
2016-01-01
Introduction Spinal tuberculosis presents a radiological challenge in many cases when it presents with atypical pattern of involvement and has to be distinguished from various differentials, which include metastases. In such cases Diffusion Weighted Imaging (DWI) with Apparent Diffusion Co-efficient (ADC) value may play a role in reaching towards a conclusion, thereby preventing unnecessary biopsy in such patients. Aim Measurement of mean ADC values in tubercular vertebrae and associated collection. Materials and Methods The study was comprised of 55 patients and was conducted on 3.0 TESLA Siemens machine Magnetom Verio. Patients either known to have tuberculosis or those with classic tuberculous findings were included in the study. All these patients were followed up for post-treatment confirmation and ADC value. All the patients underwent routine MRI along with DW-MRI sequence, ADC values and FNAC/ Biopsy if required. The ADC values were calculated from the involved vertebral bodies and surrounding soft tissue and also from normal vertebrae preferably from one above and below the affected vertebrae to establish ADC of normal vertebrae, which was helpful in treatment response in patients with antitubercular therapy. At least six ADC value was taken from affected vertebrae and soft tissue. Results The mean ADC value of tubercular vertebrae was found out to be 1.47 ± 0.25 x 10-3 mm2/sec, of adjacent soft tissue collection (abscess) was 1.94 ± 0.30 x 10-3 mm2/sec and normal vertebrae was 0.48 ± 0.16 x 10-3 mm2/sec. ADC value of post treated vertebrae decreased and complete resolution showed ADC near normal vertebrae. Conclusion Normal range of the ADC values in spinal tuberculosis and associated paravertebral collection may be helpful in the differentiation of spinal tuberculosis from lesions with spinal involvement which are not proven to be tuberculosis and who did not have the classical appearance of either tuberculosis or metastasis. But there exists a zone of
NASA Astrophysics Data System (ADS)
Jordanova, V. K.; Kozyra, J. U.; Nagy, A. F.
1996-09-01
Ion composition measurements provided by recent satellite missions have confirmed the presence of heavy ions in the terrestrial magnetosphere. In order to describe the resonance of energetic ring current particles with electromagnetic ion cyclotron (EMIC) waves in a more realistic terrestrial environment, general expressions are derived that provide quasi-linear diffusion coefficients in a cold plasma containing heavy ions. Cold plasma theory is used as a first approximation. In such plasma, EMIC waves do not propagate in the frequency range between the ion gyrofrequency and the cutoff frequency for each ion component but form multiple stop bands. No interactions occur within the stop bands and the diffusion coefficients are zero over the corresponding frequency intervals. For most of the wave frequencies of interest, the particles in a multicomponent plasma resonate at lower parallel energies than particles in an electron-proton plasma for a given harmonic value. Therefore resonance with a fixed frequency wave occurs at larger pitch angles (lower parallel energies) in a multi-ion than in a proton-electron plasma. As a direct consequence, pitch angle diffusion coefficients for a given energy decrease at small pitch angles and increase at large pitch angles as heavy ions are added to the plasma. The energy and mixed diffusion coefficients change correspondingly. Also, higher harmonics need to be included in the calculations for resonances at higher energies. The pitch angle diffusion lifetimes are calculated for given plasmaspheric and wave parameters corresponding to conditions at a radial distance L=4. The values of the diffusion lifetimes decrease at low energies and increase at high energies in a multi-ion as compared to an electron-proton plasma. As a result, the resonances at lower energies (~ approximately tens of keV) will contribute to the ion precipitation losses from the ring current during geomagnetic storms.
Shi, Zhi-Qiang; Zhang, Yun-Lin; Wang, Ming-Zhu; Liu, Xiao-Han
2013-02-01
Based on the underwater irradiance profile measurement and water samples collection in September, October 2007 in Lake Donghu, Lake Liangzi and Lake Honghu, and in April in 2010 in Lake Kuileihu, the diffuse attenuation coefficient and the dominant attenuation factors were analyzed. The ranges of diffuse attenuation coefficient and total suspended solid (TSS), organic suspended solid (OSS), inorganic suspended solid (ISS), chlorophyll a (Chla), and dissolved organic carbon (DOC) concentration varied less in Lake Donghu and Lake Kuileihu than in Lake liangzi and Lake Honghu. The regression analysis showed that ISS was the dominant affecting factor of transparency in Lake Donghu and Lake Kuileihu, but ISS and OSS jointly controlled the transparency in Lake Liangzi and Lake Honghu. The diffuse attenuation coefficient minimum occurred near 580 nm. At around 675 nm, the diffuse attenuation coefficient peak was due to phytoplankton absorption, especially at sites with high pigment concentration. The euphotic depth was less than the mean water depth in Lake Donghu, suggesting that the submerged aquatic vegetation (SAV) can not grow in the present underwater light climate. However, the euphotic depth was larger than the mean water depth in other three lakes showing that the underwater light climate can meet the light requirements for the growth of SAV. The regression analysis showed that ISS was the dominant affecting factor of PAR attenuation in Lake Donghu and Lake Kuileihu, but ISS, OSS and Chla jointly controlled PAR attenuation in lake Liangzi and lake Honghu. The significant correlation between the beam attenuatin coefficient at 750 nm and PAR difffuse attenuation coefficient showed that the particles scattering significantly contributed to underwater irradiance attenuation.
Analysis of ligand-protein exchange by Clustering of Ligand Diffusion Coefficient Pairs (CoLD-CoP)
NASA Astrophysics Data System (ADS)
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.
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.
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.
Association of the apparent diffusion coefficient with maturity in adolescent sacroiliac joints
Vendhan, Kanimozhi; Roberts, James; Atkinson, David; Punwani, Shonit; Sen, Debajit; Ioannou, Yiannis; Hall‐Craggs, Margaret A.
2016-01-01
Purpose To determine the extent to which apparent diffusion coefficient (ADC) values vary with skeletal maturity in adolescent joints. Materials and Methods A retrospective study was performed with Institutional Review Board (IRB) approval. We used a picture archiving and communication system (PACS) search to identify and recruit all adolescents who had undergone 1.5T magnetic resonance imaging (MRI) of the sacroiliac joints (SIJs) between January 2010 and June 2015, and had no evidence of sacroiliitis and normal inflammatory markers. In all, 55 individuals were assessed. For each patient, coronal and sagittal images of the sacrum were visually analyzed to determine sacral maturity. Patients were divided into three groups depending on the degree of fusion of the sacral segmental apophyses: “Fused,” “Partial,” and “Unfused.” For each group, SIJ ADC was measured using a linear region‐of‐interest technique. Results Mean ADC values were 690 × 10−6 mm2/s in the fused group, 720 × 10−6 mm2/s in the partial group, and 842 × 10−6 mm2/s in the unfused group. ADC values were significantly higher in the unfused group than in the fused group (P = 0.046). ADC values were also higher in unfused subjects than partially fused subjects (P = 0.074). Conclusion Joint ADC values are higher in skeletally immature (unfused) patients than in skeletally more mature (fused) patients. ADC values measured in the unfused group overlap with those previously reported in sacroiliitis. These results suggest that ADC measurements in adolescent joints must be interpreted in light of joint maturity. Joint immaturity may lead to misdiagnosis of sacroiliitis, since immature juxta‐articular bone may appear similar to inflammation. J. Magn. Reson. Imaging 2016. J. Magn. Reson. Imaging 2016;44:556–564. PMID:26898474
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 (Dt(0)(20,w)) and sedimentation (s(0)(20,w)) 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 Dt(0)(20,w) and s(0)(20,w) 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 Dt(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 s(0)(20,w), 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
A method for estimating the diffuse attenuation coefficient (KdPAR)from paired temperature sensors
Read, Jordan S.; Rose, Kevin C.; Winslow, Luke A.; Read, Emily Kara
2015-01-01
A new method for estimating the diffuse attenuation coefficient for photosynthetically active radiation (KdPAR) from paired temperature sensors was derived. We show that during cases where the attenuation of penetrating shortwave solar radiation is the dominant source of temperature changes, time series measurements of water temperatures at multiple depths (z1 and z2) are related to one another by a linear scaling factor (a). KdPAR can then be estimated by the simple equation KdPAR ln(a)/(z2/z1). A suggested workflow is presented that outlines procedures for calculating KdPAR according to this paired temperature sensor (PTS) method. This method is best suited for conditions when radiative temperature gains are large relative to physical noise. These conditions occur frequently on water bodies with low wind and/or high KdPARs but can be used for other types of lakes during time periods of low wind and/or where spatially redundant measurements of temperatures are available. The optimal vertical placement of temperature sensors according to a priori knowledge of KdPAR is also described. This information can be used to inform the design of future sensor deployments using the PTS method or for campaigns where characterizing sub-daily changes in temperatures is important. The PTS method provides a novel method to characterize light attenuation in aquatic ecosystems without expensive radiometric equipment or the user subjectivity inherent in Secchi depth measurements. This method also can enable the estimation of KdPAR at higher frequencies than many manual monitoring programs allow.
Mobilities and longitudinal diffusion coefficients for K+ ions in nitrogen and argon
NASA Astrophysics Data System (ADS)
Takebe, M.; Satoh, Y.; Iinuma, K.; Seto, K.
1980-10-01
We have constructed a drift tube with a movable ion source and measured the mobilities and longitudinal diffusion coefficients for K+ ions at 303 °K in N2 and at 305 °K in Ar in the pressure range 0.3-5.0 Torr, over the E/N range 4-346 Td in N2 and 3-320 Td in Ar. The zero-field reduced mobilities for K+ ions in N2 and Ar were determined to be 2.50±0.03 and 2.63±0.03 cm2/V sec, respectively. Both values are in excellent agreement with the values reported by Elford and Milloy. When our data are compared with the values obtained by Thomson et al. in N2 and the values obtained by James et al. in Ar over the entire E/N range, we find that the mean deviations are about 1.7%, independent of gas species and E/N. Our zero-field reduced mobilities are about 1.2% lower in both cases than the values compiled by Ellis et al. It is concluded that the discrepancy is due to a systematic error and is not caused by clustering reactions. The mean values of NDL over the E/N range 4-7 Td in N2 and 5-10 Td in Ar were found to be 1.96×1018 and 2.09×1018 cm-1 sec-1, respectively. Both values are about 7% higher than the values calculated from our mobility data by the generalized Einstein relation and from the same parameters reported by Pai et al.
NASA Astrophysics Data System (ADS)
Satoh, Y.; Takebe, M.; Iinuma, K.
1987-12-01
The transport coefficients for Li+ ions in some moleculars gases have been measured over a wide range of E/N with a conventional drift tube at temperatures close to 300 K. The zero-field reduced mobilities are found to be 3.91±0.11, 4.44±0.12, 3.64±0.10, 2.46±0.07, and 3.44±0.10 cm2/V s in N2, O2, CO, CO2, and CH4 gas, respectively, and these values except in O2 gas significantly deviate from the Langevin limit. In N2, CO, and CO2 gas, the resulting mobility curves show clear minima at intermediate E/N, but the depressions in O2 and CH4 gas are slight. The drop of the zero-field values in N2, CO, and CO2 gas is explained in terms of an effective ion-quadrupole interaction which provides the r-6 attractive behavior. From the mobility calculations with using n-4-6(γ) potential, it is suggested that the depression of the mobility curve is developed by the addition of a sufficient r-6 term and is partly attributed to inelastic collisions as expected even at intermediate E/N. The experimental diffusion data are compared with the values derived from the generalized Einstein relation. For all systems, the agreement is quite good at intermediate E/N, but there are large discrepancies at other E/N. The sources of the deviation are considered to be clustering reactions and inelastic collisions at low and high field, respectively.
Lewis, A.C.; Baird, D.R.
2006-07-01
This paper describes applications of phyto-remediation at the Portsmouth Gaseous Diffusion Plant (PORTS), a Department of Energy (DOE) Facility that enriched uranium from the early 1950's until 2000. Phyto-remediation has been implemented to assist in the removal of TCE (trichloroethylene) in the groundwater at two locations at the PORTS facility: the X-740 area and the X-749/X-120 area. Phyto-remediation technology is based on the ability of certain plants species (in this case hybrid poplar trees) and their associated rhizo-spheric microorganisms to remove, degrade, or contain chemical contaminants located in the soil, sediment, surface water, groundwater, and possibly even the atmosphere. Phyto-remediation technology is a promising clean-up solution for a wide variety of pollutants and sites. Mature trees, such as the hybrid poplar, can consume up to 3,000 gallons of groundwater per acre per day. Organic compounds are captured in the trees' root systems. These organic compounds are degraded by ultraviolet light as they are transpired along with the water vapor through the leaves of the trees. The phyto-remediation system at the X-740 area encompasses 766 one-year old hybrid poplar trees (Populus nigra x nigra, Populus nigra x maximowiczii, and Populus deltoides x nigra) that were planted 10 feet apart in rows 10 feet to 20 feet apart, over an area of 2.6 acres. The system was installed to manage the VOC contaminant plume. At the X749/X-120 area, a phyto-remediation system of 2,640 hybrid poplar trees (Populus nigra x maximowiczii) was planted in seven areas/zones to manage the VOC contaminant plume. The objectives of these systems are to remove contamination from the groundwater and to prevent further migration of contaminants. The goal of these remediation procedures is to achieve completely mature and functional phyto-remediation systems within two years of the initial planting of the hybrid poplar trees at each planting location. There is a direct
Looney, B.; Eddy-Dilek, C.
2012-08-28
Evaluation of disposal records, soil data, and spatial/temporal groundwater data from the Paducah Gaseous Diffusion Plant (PGDP) Solid Waste Management Unit (SWMU) 7 indicate that the peak contaminant concentrations measured in monitoring well (MW) 66 result from the influence of the regional PGDP NW Plume, and does not support the presence of significant vertical transport from local contaminant sources in SWMU 7. This updated evaluation supports the 2006 conceptualization which suggested the high and low concentrations in MW66 represent different flow conditions (i.e., local versus regional influences). Incorporation of the additional lines of evidence from data collected since 2006 provide the basis to link high contaminant concentrations in MW66 (peaks) to the regional 'Northwest Plume' and to the upgradient source, specifically, the C400 Building Area. The conceptual model was further refined to demonstrate that groundwater and the various contaminant plumes respond to complex site conditions in predictable ways. This type of conceptualization bounds the expected system behavior and supports development of environmental cleanup strategies, providing a basis to support decisions even if it is not feasible to completely characterize all of the 'complexities' present in the system. We recommend that the site carefully consider the potential impacts to groundwater and contaminant plume migration as they plan and implement onsite production operations, remediation efforts, and reconfiguration activities. For example, this conceptual model suggests that rerouting drainage water, constructing ponds or basin, reconfiguring cooling water systems, capping sites, decommissioning buildings, fixing (or not fixing) water leaks, and other similar actions will potentially have a 'direct' impact on the groundwater contaminant plumes. Our conclusion that the peak concentrations in MW66 are linked to the regional PGDP NW Plume does not imply that there TCE is not present in SWMU
Miller, Peter T.; Starmer, R. John
2003-02-27
The primary objective of the investigation was to confirm the presence and determine the location of a cache of 30 to 60 buried 55-gallon drums that were allegedly dumped along the course of the pre-existing, northsouth diversion ditch (NSDD) adjacent to permitted landfills at the Paducah Gaseous Diffusion Plant, Kentucky. The ditch had been rerouted and was being filled and re-graded at the time of the alleged dumping. Historic information and interviews with individuals associated with alleged dumping activities indicated that the drums were dumped prior to the addition of other fill materials. In addition, materials alleged to have been dumped in the ditch, such as buried roofing materials, roof flashing, metal pins, tar substances, fly ash, and concrete rubble complicated data interpretation. Some clean fill materials have been placed over the site and graded. This is an environment that is extremely complicated in terms of past waste dumping activities, construction practices and miscellaneous landfill operations. The combination of site knowledge gained from interviews and research of existing site maps, variable frequency EM data, classical total magnetic field data and optimized GPR lead to success where a simpler less focused approach by other investigators using EM-31 and EM-61 electromagnetic methods and unfocused ground penetrating radar (GPR)did not produce results and defined no real anomalies. A variable frequency electromagnetic conductivity unit was used to collect the EM data at 3,030 Hz, 5,070 Hz, 8,430 Hz, and 14,010 Hz. Both in-phase and quadrature components were recorded at each station point. These results provided depth estimates for targets and some information on the subsurface conditions. A standard magnetometer was used to conduct the magnetic survey that showed the locations and extent of buried metal, the approximate volume of ferrous metal present within a particular area, and allowed estimation of approximate target depths. The GPR
Diffusion coefficients and activation energies for Zn diffusion into undoped and S-doped InP
NASA Astrophysics Data System (ADS)
Marek, H. S.; Serreze, H. B.
1987-12-01
We present results of open tube Zn diffusion into undoped and S-doped n-type InP over the temperature range 550-675 °C. The process yields reproducible results which are consistent with an interstitial-substitutional diffusion model. For the undoped samples, an activation energy of 1.52 eV and a diffusion constant of 4.9×10-2 cm2/s are obtained. For heavily S-doped samples, values of 2.34 eV and 1.4×103 cm2/s, respectively, result. The difference in activation energy which is comparable to the Fermi level difference in the two substrate types is consistent with the different diffusion mechanisms which occur in these two types of InP.
Lu, Yan; Li, Mingzhong
2016-01-01
The solubility and diffusion coefficient are two of the most important physicochemical properties of a drug compound. In practice, both have been measured separately, which is time consuming. This work utilizes a novel technique of UV imaging to determine the solubility and diffusion coefficients of poorly water-soluble drugs simultaneously. A 2-step optimal method is proposed to determine the solubility and diffusion coefficients of a poorly water-soluble pharmaceutical substance based on the Fick's second law of diffusion and UV imaging measurements. Experimental results demonstrate that the proposed method can be used to determine the solubility and diffusion coefficients of a drug with reasonable accuracy, indicating that UV imaging may provide a new opportunity to accurately measure the solubility and diffusion coefficients of a poorly water-soluble drug simultaneously and rapidly.
Haas, O.; Velazquez, C.S.; Porat, Z.; Murray, R.W.
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.
Measurement of local ion diffusion coefficients in the Tokamak Fusion Test Reactor
NASA Astrophysics Data System (ADS)
Evensen, H. T.; Fonck, R. J.; Paul, S. F.; Scott, S. D.
1999-01-01
The perturbations in ion temperature, density and parallel velocity resulting from sawtooth disruptions in TFTR are measured with a novel diagnostic. The local ion thermal diffusivity, particle diffusivity and parallel momentum diffusivity are determined in a high power discharge at r/a = 0.64 by fitting the observed pulses to a simple model of the radial diffusive propagation of heat, particles and momentum caused by the crash. The incremental ion thermal diffusivity, χiinc, is found to be similar in amplitude to the ion and electron thermal diffusivities obtained from a steady state 1-D power balance analysis, and the particle and parallel momentum diffusivities are found to be an order of magnitude smaller than χiinc.
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 τ=1-plnɛ, where ɛ 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
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.
NASA Technical Reports Server (NTRS)
Dean, D. C.; Goldstein, J. I.
1984-01-01
The interdiffusion coefficient of FeNi in fcc taenite (gamma) of Fe-Ni and Fe-Ni-0.2 P alloys was measured as a function of temperature between 600 and 900 C. This temperature range is directly applicable to the nucleation and growth of the Widmanstatten pattern in iron meteorites and metal regions of stony and stony-iron meteorites. Diffusion couples were made from FeNi or FeNiP alloys which ensured that the couples were in the taenite phase at the diffusion temperature. The presence or absence of grain boundary diffusion was determined by measuring the Ni profile normal to the existing grain boundaries with the AEM. Ignoring any variation of interdiffusion coefficient with composition, the measured data was plotted versus the reciprocal of the diffusion temperature. The FeNi data generally follow the extrapolated Goldstein, et al. (1965) data from high temperatures. The FeNiP data indicates that small additions of P (0.2 wt%) cause a 3 to 10 fold increase in the FeNi interdifussion coefficient increasing with decreasing temperature. This increase is about the same as that predicted by Narayan and Goldstein (1983) at the Widmanstatten growth temperature.
NASA Astrophysics Data System (ADS)
Radhi, M. M.; Amir, Y. K. A.; Alwan, S. H.; Tee, T. W.
2013-04-01
Glassy carbon electrode (GCE) was modified with carbon nanotubes (CNT), C60 and activated carbon (AC) by mechanical attachment method and solution evaporation technique to preparation CNT/GCE, C60/GCE and AC/GCE, these electrodes were modified in Li+ solution via cyclic voltammetry (CV) potential cycling to preparing CNT/Li+/GCE, C60/Li+/GCE and AC/Li+/GCE. The sensing characteristics of the modified film electrodes, demonstrated in the application study for different heavy metal ions such as Hg2+, Cd2+, and Mn2+. Cyclic voltammetric effect by chronoamperometry (CA) technique was investigated to determination the diffusion coefficient (Df) values from Cottrell equation at these ions. Based on Cottrell equation (diffusion coefficient) of the redox current peaks of different heavy metal ions at different modified electrodes were studied to evaluate the sensing of these electrodes by the diffusion coefficient values. The modification of GCE with nano materials and Li+ act an enhancement for the redox current peaks to observe that the diffusion process are high at CNT/Li+/GCE, C60/Li+/GCE and AC/Li+/GCE, but it has low values at unmodified GCE.
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
Kim, S.H.; Chen, N.C.J.; Taleyarkhan, R.P.; Wendel, M.W.; Keith, K.D.; Schmidt, R.W.; Carter, J.C.; Dyer, R.H.
1996-12-30
Computer models have been developed to simulate the transient behavior of aerosols and vapors as a result of a postulated accident involving the release of uranium hexafluoride (UF{sub 6}) into the process building of a gaseous diffusion plant. For the current study, gaseous UF{sub 6} is assumed to get released in the cell housing atmosphere through B-line break at 58.97 kg/s for 10 min and 30 min duration at the Paducah and Portsmouth Gaseous Diffusion Plants. The released UF{sub 6} undergoes an exothermic chemical reaction with moisture (H{sub 2}O) in the air to form hydrogen fluoride (HF) and radioactive uranyl fluoride (UO{sub 2}F{sub 2}) while it disperses throughout the process building. As part of a facility-wide safety evaluation, this study evaluated source terms consisting of UO{sub 2}F{sub 2} as well as HF during a postulated UF{sub 6} release accident in a process building. UO{sub 2}F{sub 2} mainly remains as airborne-solid particles (aerosols), and HF is in a vapor form. Some UO{sub 2}F{sub 2} aerosols are removed from the air flow due to gravitational settling. The HF and the remaining UO{sub 2}F{sub 2} are mixed with air and exhausted through the building ventilation system. The MELCOR computer code was selected for simulating aerosols and vapor transport in the process building. To characterize leakage flow through the cell housing wall, 3-D CFD tool (CFDS-FLOW3D) was used. About 57% of UO{sub 2}F{sub 2} was predicted to be released into the environment. Since HF was treated as vapor, close to 100% was estimated to get released into the environment.
Shynkaryk, Mykola V; Pyatkovskyy, Taras; Mohamed, Hussein M; Yousef, Ahmed E; Sastry, Sudhir K
2015-12-01
Produce safety has received much recent attention, with the emphasis being largely on discovery of how microbes invade produce. However, the sanitization operation deserves more attention than it has received. The ability of a sanitizer to reach the site of pathogens is a fundamental prerequisite for efficacy. This work addresses the transport processes of ozone (gaseous and liquid) sanitizer for decontamination of leafy greens. The liquid sanitizer was ineffective against Escherichia coli K-12 in situations where air bubbles may be trapped within cavities. A model was developed for diffusion of sanitizer into the interior of produce. The reaction rate of ozone with the surface of a lettuce leaf was determined experimentally and was used in a numerical simulation to evaluate ozone concentrations within the produce and to determine the time required to reach different locations. For aqueous ozone, the penetration depth was limited to several millimeters by ozone self-decomposition due to the significant time required for diffusion. In contrast, gaseous sanitizer was able to reach a depth of 100 mm in several minutes without depletion in the absence of reaction with surfaces. However, when the ozone gas reacted with the produce surface, gas concentration was significantly affected. Simulation data were validated experimentally by measuring ozone concentrations at the bottom of a cylinder made of lettuce leaf. The microbiological test confirmed the relationship between ozone transport, its self-decomposition, reaction with surrounding materials, and the degree of inactivation of E. coli K-12. Our study shows that decontamination of fresh produce, through direct contact with the sanitizer, is more feasible with gaseous than with aqueous sanitizers. Therefore, sanitization during a high-speed washing process is effective only for decontaminating the wash water.
Shynkaryk, Mykola V; Pyatkovskyy, Taras; Mohamed, Hussein M; Yousef, Ahmed E; Sastry, Sudhir K
2015-12-01
Produce safety has received much recent attention, with the emphasis being largely on discovery of how microbes invade produce. However, the sanitization operation deserves more attention than it has received. The ability of a sanitizer to reach the site of pathogens is a fundamental prerequisite for efficacy. This work addresses the transport processes of ozone (gaseous and liquid) sanitizer for decontamination of leafy greens. The liquid sanitizer was ineffective against Escherichia coli K-12 in situations where air bubbles may be trapped within cavities. A model was developed for diffusion of sanitizer into the interior of produce. The reaction rate of ozone with the surface of a lettuce leaf was determined experimentally and was used in a numerical simulation to evaluate ozone concentrations within the produce and to determine the time required to reach different locations. For aqueous ozone, the penetration depth was limited to several millimeters by ozone self-decomposition due to the significant time required for diffusion. In contrast, gaseous sanitizer was able to reach a depth of 100 mm in several minutes without depletion in the absence of reaction with surfaces. However, when the ozone gas reacted with the produce surface, gas concentration was significantly affected. Simulation data were validated experimentally by measuring ozone concentrations at the bottom of a cylinder made of lettuce leaf. The microbiological test confirmed the relationship between ozone transport, its self-decomposition, reaction with surrounding materials, and the degree of inactivation of E. coli K-12. Our study shows that decontamination of fresh produce, through direct contact with the sanitizer, is more feasible with gaseous than with aqueous sanitizers. Therefore, sanitization during a high-speed washing process is effective only for decontaminating the wash water. PMID:26613904
Antrim, Daniel; Bunton, Patrick; Lewis, Lydia Lee; Zoltowski, Brian D; Pojman, John A
2005-06-16
Diffusion of small molecules into glassy polymers is quite complicated and almost always non-Fickian. Little work has been done with the diffusion of low molecular weight polymers that are liquids at room temperature (such as poly(dodecyl acrylate)) into their miscible monomers. We have studied three molecular weights under 20 000 to determine if poly(dodecyl acrylate) diffusion into dodecyl acrylate could be treated with Fick's law and if so to determine the values of the diffusion coefficients. We compare two methods for measuring the diffusion of dodecyl acrylate into poly(dodecyl acrylate): We used laser line deflection (Wiener's method) and improved upon the method from published reports. We also used the dependence of pyrene's fluorescence on the viscosity to measure the concentration distribution, and thus to extract the diffusion coefficient. After an initial relaxation period, diffusion in all cases followed Fick's law with a single concentration-independent diffusion coefficient. Comparison of the diffusion coefficients obtained by both methods yielded the same order of magnitude for the diffusion coefficients (10(-7) cm2/s) and showed the same trend in the dependence on the average molecular weight of the polymer (a decrease in the diffusion coefficient with an increase in the molecular weight).
Marica, Florea; Jofré, Sergio Andrés Bea; Mayer, K Ulrich; Balcom, Bruce J; Al, Tom A
2011-07-01
This work is focused on measuring the concentration distribution of a conservative tracer in a homogeneous synthetic porous material and in heterogeneous natural sandstone using MRI techniques, and on the use of spatially resolved porosity data to define spatially variable diffusion coefficients in heterogeneous media. The measurements are made by employing SPRITE, a fast MRI method that yields quantitative, spatially-resolved tracer concentrations in porous media. Diffusion experiments involving the migration of H(2)O into D(2)O-saturated porous media are conducted. One-dimensional spatial distributions of H(2)O-tracer concentrations acquired from experiments with the homogeneous synthetic calcium silicate are fitted with the one-dimensional analytical solution of Fick's second law to confirm that the experimental method provides results that are consistent with expectations for Fickian diffusion in porous media. The MRI-measured concentration profiles match well with the solution for Fick's second law and provide a pore-water diffusion coefficient of 1.75×10(-9)m(2)s(-1). The experimental approach was then extended to evaluate diffusion in a heterogeneous natural sandstone in three dimensions. The relatively high hydraulic conductivity of the sandstone, and the contrast in fluid density between the H(2)O tracer and the D(2)O pore fluid, lead to solute transport by a combination of diffusion and density-driven advection. The MRI measurements of spatially distributed tracer concentration, combined with numerical simulations allow for the identification of the respective influences of advection and diffusion. The experimental data are interpreted with the aid of MIN3P-D - a multicomponent reactive transport code that includes the coupled processes of diffusion and density-driven advection. The model defines local diffusion coefficients as a function of spatially resolved porosity measurements. The D(e) values calculated for the heterogeneous sandstone and used to
Marica, Florea; Jofré, Sergio Andrés Bea; Mayer, K Ulrich; Balcom, Bruce J; Al, Tom A
2011-07-01
This work is focused on measuring the concentration distribution of a conservative tracer in a homogeneous synthetic porous material and in heterogeneous natural sandstone using MRI techniques, and on the use of spatially resolved porosity data to define spatially variable diffusion coefficients in heterogeneous media. The measurements are made by employing SPRITE, a fast MRI method that yields quantitative, spatially-resolved tracer concentrations in porous media. Diffusion experiments involving the migration of H(2)O into D(2)O-saturated porous media are conducted. One-dimensional spatial distributions of H(2)O-tracer concentrations acquired from experiments with the homogeneous synthetic calcium silicate are fitted with the one-dimensional analytical solution of Fick's second law to confirm that the experimental method provides results that are consistent with expectations for Fickian diffusion in porous media. The MRI-measured concentration profiles match well with the solution for Fick's second law and provide a pore-water diffusion coefficient of 1.75×10(-9)m(2)s(-1). The experimental approach was then extended to evaluate diffusion in a heterogeneous natural sandstone in three dimensions. The relatively high hydraulic conductivity of the sandstone, and the contrast in fluid density between the H(2)O tracer and the D(2)O pore fluid, lead to solute transport by a combination of diffusion and density-driven advection. The MRI measurements of spatially distributed tracer concentration, combined with numerical simulations allow for the identification of the respective influences of advection and diffusion. The experimental data are interpreted with the aid of MIN3P-D - a multicomponent reactive transport code that includes the coupled processes of diffusion and density-driven advection. The model defines local diffusion coefficients as a function of spatially resolved porosity measurements. The D(e) values calculated for the heterogeneous sandstone and used to
Torgersen, T.; Mathieu, G.; Hesslein, R.H.; Broecker, W.S.
1982-01-20
A direct field comparison was conducted to determine the dependency of gas exchange coefficient (k/sub x/) on the diffusion coefficient (D/sub x/). The study also sought to confirm the enhanced vertical exchange properties of limnocorrals and similar enclosures. Gas exchange coefficients for /sup 222/Rn and /sup 3/He were determined in a small northern Ontario lake, using a /sup 226/Ra and /sup 3/H spike to gain the necessary precision. The results indicate that the gas exchange coefficient is functionally dependent on the diffusion coefficient raised to the 1.22/sub -35//sup + > 12/ power (k/sub x/ = f(D/sub x//sup 1.22)), clearly supporting the stagnant film model of gas exchange. Limnocorrals were found to have gas exchange rates up to 1.7 times higher than the whole lake in spite of the observation of more calm surface conditions in the corral than in the open lake. 33 references, 6 figures, 8 tables.