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1

Turbulent diffusion of chemically reacting gaseous admixtures

NASA Astrophysics Data System (ADS)

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 ? 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.

Elperin, T.; Kleeorin, N.; Liberman, M.; Rogachevskii, I.

2014-11-01

2

Portable vapor diffusion coefficient meter

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.

Ho, Clifford K. (Albuquerque, NM)

2007-06-12

3

A review of the physics and modelling of mass diffusion involving different gaseous chemical species is firstly proposed. Both accurate and simplified models for mass diffusion involve the calculation of individual species diffusion coefficients. Since these are computationally expensive, in CFD they are commonly estimated by assuming constant Lewis or Schmidt numbers for each chemical species. The constant Lewis number

E. Giacomazzi; F. R. Picchia; N. Arcidiacono

2008-01-01

4

Uranium enrichment export control guide: Gaseous diffusion

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.

Not Available

1989-09-01

5

Band Formation during Gaseous Diffusion in Aerogels

We study experimentally how gaseous HCl and NH_3 diffuse from opposite sides of and react in silica aerogel rods with porosity of 92 % and average pore size of about 50 nm. The reaction leads to solid NH_4Cl, which is deposited in thin sheet-like structures. We present a numerical study of the phenomenon. Due to the difference in boundary conditions between this system and those usually studied, we find the sheet-like structures in the aerogel to differ significantly from older studies. The influence of random nucleation centers and inhomogeneities in the aerogel is studied numerically.

M. A. Einarsrud; F. A. Maao; A. Hansen; M. Kirkedelen; J. Samseth

1997-06-18

6

Radiant Extinction of Gaseous Diffusion Flames

NASA Technical Reports Server (NTRS)

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-dimensional; (2) The spherical diffusion flame completely encloses the soot which is formed on the fuel rich side of the reaction zone. This increases the importance of flame radiation because now both soot and gaseous combustion products co-exist inside the high temperature spherical diffusion flame; (3) For small fuel injection velocities, as is usually the case for a pyrolyzing solid, the diffusion flame in mu-g around the solid naturally develops spherical symmetry. Thus, spherical diffusion flames are of interest to fires in mu-g and identifying conditions that lead to radiation-induced extinction is important for spacecraft fire safety.

Berhan, Sean; Atreya, Arvind; Everest, David; Sacksteder, Kurt R.

1999-01-01

7

Radiant Extinction Of Gaseous Diffusion Flames

NASA Technical Reports Server (NTRS)

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 one-dimensional. (ii) The spherical diffusion flame completely encloses the soot which is formed on the fuel rich side of the reaction zone. This increases the importance of flame radiation because now both soot and gaseous combustion products co-exist inside the high temperature spherical diffusion flame. (iii) For small fuel injection velocities, as is usually the case for a pyrolyzing solid, the diffusion flame in :g around the solid naturally develops spherical symmetry. Thus, spherical diffusion flames are of interest to fires in :g and identifying conditions that lead to radiation-induced extinction is important for spacecraft fire safety.

Berhan, S.; Chernovsky, M.; Atreya, A.; Baum, Howard R.; Sacksteder, Kurt R.

2003-01-01

8

Viscosity and thermal conductivity coefficients of gaseous and liquid oxygen

NASA Technical Reports Server (NTRS)

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.

Hanley, H. J. M.; Mccarty, R. D.; Sengers, J. V.

1974-01-01

9

Thermal Expansion and Diffusion Coefficients of Carbon

Thermal Expansion and Diffusion Coefficients of Carbon Nanotube-Polymer Composites Chenyu Wei* NASA for polymer-nanotube interface are used to investigate the thermal expansion and diffusion characteristics to increase the glass transition temperature Tg, and thermal expansion and diffusion coefficients

Wei, Chenyu

10

78 FR 30342 - United States Enrichment Corporation, Paducah Gaseous Diffusion Plant

Federal Register 2010, 2011, 2012, 2013

...Enrichment Corporation, Paducah Gaseous Diffusion Plant AGENCY: Nuclear Regulatory Commission...Compliance (CoC) for the Paducah Gaseous Diffusion Plant (PGDP). The existing CoC (No...Paducah, Kentucky, using the gaseous diffusion process. The USEC requests that...

2013-05-22

11

Federal Register 2010, 2011, 2012, 2013

...Enrichment Corporation, Paducah Gaseous Diffusion Plant, Including On-Site Leased Workers...Enrichment Corporation, Paducah Gaseous Diffusion Plant, including on-site leased workers...Enrichment Corporation, Paducah Gaseous Diffusion Plant, including on-site leased...

2013-11-06

12

variable gravity conditions hampers progress in selection and design of effective plant growth systems. Our of the lattice Boltzmann method for rapid and cost-effective evaluation of alternative plant growth media designs gravity conditions may impact the effec- tive gaseous diffusion coefficient of plant growth media, thereby

Shor, Leslie McCabe

13

78 FR 65389 - United States Enrichment Corporation, Paducah Gaseous Diffusion Plant

Federal Register 2010, 2011, 2012, 2013

...Enrichment Corporation, Paducah Gaseous Diffusion Plant AGENCY: Nuclear Regulatory Commission...Compliance (CoC) for the Paducah Gaseous Diffusion Plant (PGDP). The current CoC for...using the gaseous [[Page 65390

2013-10-31

14

Diffusion coefficients for fast reactor hexagonal assemblies

A consistent model for the calculation of fast reactor assembly diffusion coefficients is presented. Allowance is made for the treatment of both sodiumfilled and sodium-voided lattices, with the same approximation applied, which is essential for the study of the sodium-voiding effect. The hexagonal steel tube is also taken into account. The formalism is implemented in the ASDIC (Assembly Diffusion Coefficients) program. Numerical results and comparisons with results of other models are given.

Benoist, P.; Duracz, T.

1984-05-01

15

Diffuse reflection coefficient of a stratified sea.

A differential equation of a Riccati type for the diffuse reflection coefficient of a stratified sea is proposed. For a homogeneous sea with arbitrary inherent optical properties this equation is solved analytically. For an inhomogeneous sea it is solved approximately for any arbitrary stratification. The resulting equation expresses the diffuse reflection coefficient of the sea through vertical profiles of absorption and backscattering coefficients, bottom albedo, and sea depth. The results of calculations with this equation are compared with Monte Carlo computations. It was found that the precision of this approach is in the range of 15%. PMID:18305694

Haltrin, V I

1999-02-20

16

Diffusion coefficients in leaflets of bilayer membranes

We study diffusion coefficients of liquid domains by explicitly taking into account the two-layered structure called leaflets of the bilayer membrane. In general, the velocity fields associated with each leaflet are different and the layers sliding past each other cause frictional coupling. We obtain analytical results of diffusion coefficients for a circular liquid domain in a leaflet, and quantitatively study their dependence on the inter-leaflet friction. We also show that the diffusion coefficients diverge in the absence of coupling between the bilayer and solvents, even when the inter-leaflet friction is taken into account. In order to corroborate our theory, the effect of the inter-leaflet friction on the correlated diffusion is examined.

Kazuhiko Seki; Saurabh Mogre; Shigeyuki Komura

2014-02-05

17

Gaseous Diffusion in a Temperature Gradient

The theory of diffusion in a temperature gradient has been tested by comparing the results of gas mixing experiments and gas unmixing experiments, the unmixing being caused by thermal diffusion. Both types of measurements have been carried out in the same apparatuses with the same temperature distributions, so that corrections cancel on taking ratios. Measurements are reported on H2-37Ar, H2-85Kr,

E. A. Mason; Stanley Weissman

1965-01-01

18

Fractal diffusion coefficient from dynamical zeta functions

Dynamical zeta functions provide a powerful method to analyze low dimensional dynamical systems when the underlying symbolic dynamics is under control. On the other hand even simple one dimensional maps can show an intricate structure of the grammar rules that may lead to a non smooth dependence of global observable on parameters changes. A paradigmatic example is the fractal diffusion coefficient arising in a simple piecewise linear one dimensional map of the real line. Using the Baladi-Ruelle generalization of the Milnor-Thurnston kneading determinant we provide the exact dynamical zeta function for such a map and compute the diffusion coefficient from its smallest zero.

G. Cristadoro

2005-09-28

19

Code of Federal Regulations, 2011 CFR

... false Illustrative List of Gaseous Diffusion Enrichment Plant Assemblies and Components...Part 110—Illustrative List of Gaseous Diffusion Enrichment Plant Assemblies and Components...Licensing Authority Note —In the gaseous diffusion method of uranium isotope...

2011-01-01

20

Code of Federal Regulations, 2012 CFR

... false Illustrative List of Gaseous Diffusion Enrichment Plant Assemblies and Components...Part 110—Illustrative List of Gaseous Diffusion Enrichment Plant Assemblies and Components...Licensing Authority Note —In the gaseous diffusion method of uranium isotope...

2012-01-01

21

Code of Federal Regulations, 2013 CFR

... false Illustrative List of Gaseous Diffusion Enrichment Plant Assemblies and Components...Part 110—Illustrative List of Gaseous Diffusion Enrichment Plant Assemblies and Components...Licensing Authority Note —In the gaseous diffusion method of uranium isotope...

2013-01-01

22

23

77 FR 3255 - Notice of 229 Boundary Revision at the Paducah Gaseous Diffusion Plant

Federal Register 2010, 2011, 2012, 2013

...Boundary Revision at the Paducah Gaseous Diffusion Plant AGENCY: Department of Energy...other facilities of the Paducah Gaseous Diffusion Plant, located in McCracken County...real property of the Paducah Gaseous Diffusion Plant located in McCracken County,...

2012-01-23

24

Diffusion coefficients in gravel under unsaturated conditions

Diffusion coefficients were experimentally determined in unsaturated gravel to evaluate the effectiveness of gravel as a diffusion barrier to ionic transport in the vadose zone. Water contents were fixed by use of an ultracentrifuge with an ultralow constant rate flow pump supplying solution to the sample via a rotating seal. Once the gravel was at hydraulic steady state, the electrical conductivity was measured, and the diffusion coefficient calculated using the Nernst-Einstein equation. Diffusion coefficient values for potassium ion (D{sub e}) in four types of angular gravel ranged from 1.7 {times} 10{sup {minus}11} m{sup 2}/s (1.7 {times} 10{sup {minus}7} cm{sup 2}/s) for a 6.3-9.5 mm angular granitic gravel at a volumetric water content of 5.5% to 2.2 {times} 10{sup {minus}14} m{sup 2}/s (2.2 {times} 10{sup {minus}10} cm{sup 2}/s) in a 4.0-6.3 mm quartzite gravel at a volumetric water content of 0.47%. Variations in D{sub e} values resulted primarily from differences in water content which depends on gravel type and particle size.

Conca, J.L.; Wright, J. (Pacific Northwest Lab., Richland, WA (USA))

1990-05-01

25

Paducah Gaseous Diffusion Plant environmental report for 1992

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.

Horak, C.M. [ed.] [Martin Marietta Energy Systems, Inc., Oak Ridge, TN (United States)

1993-09-01

26

Measurement of the Portsmouth Gaseous Diffusion Plant criticality accident alarm

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

R. W. Jr. Tayloe; B. McGinnis

1990-01-01

27

Does the photon-diffusion coefficient depend on absorption?

Does the photon-diffusion coefficient depend on absorption? T. Durduran and A. G. Yodh Department the controversy over the precise form of the photon diffusion coefficient and suggest that it is largely diffusion coefficient gives better agreement with theory than the traditionally accepted photon diffusion

Boas, David

28

NASA Technical Reports Server (NTRS)

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.

Chau, Jessica Furrer; Or, Dani; Sukop, Michael C.; Steinberg, S. L. (Principal Investigator)

2005-01-01

29

Diffusion Coefficient of Electrons in Real Space

NASA Astrophysics Data System (ADS)

A Monte-Carlo simulation of electron motion is carried out by a new method to obtain the exact values of swarm parameters. The elastic and total collision cross sections assumed here are proportional to various powers of the electron energy, and the mass ratio of an electron to a gas atom is taken as 10-2. Computation shows that the well-known expression for the diffusion doefficient Dv does not always give the exact values of the lateral diffusion coefficient DT. The differences between the values of Dv and DT are significant when the power value of the collision cross-section is large or the mass ratio is large. The disagreement is thought to be caused by the difference in the procedures for obtaining Dv and DT because of the difference in their definitions.

Ikuta, Nobuaki; Itoh, Hidenori; Toyota, Kazushige

1983-01-01

30

Diffusion scrubber for the collection of gaseous nitric acid

A diffusion denuder with a thin anion exchange membrane tube as the collecting element and with a scrubber solution flowing in a narrow annular gap outside the membrane is described. The use of this device with a dilute sulfate-sulfamic acid solution as scrubber has been exploited for collecting nitric acid. The method is essentially free from interference due to NO/sub 2/, and response characteristics are described for a continuous flow application. Direct UV detection, used to demonstrate response characteristics in the continuous monitoring mode, is not sufficiently sensitive for the measurement of low levels of ambient gaseous HNO/sub 3/.

Philips, D.A.; Dasgupta, P.K.

1987-01-01

31

Calculation of combined diffusion coefficients in SF6-Cu mixtures

NASA Astrophysics Data System (ADS)

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 SF6-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.

Zhong, Linlin; Wang, Xiaohua; Rong, Mingzhe; Wu, Yi; Murphy, Anthony B.

2014-10-01

32

Evaluation of diffusion coefficients from nonlinear impurity profiles

At high concentrations, impurity diffusion in semiconductors is governed by nonlinear diffusion processes. Using similarity analysis, a general expression for evaluation of the diffusion coefficient from experimental impurity profiles derived for the case of redistributive diffusion of implanted impurities. This expression corresponds to the Boltzmann-Matano analysis for the case of diffusion with constant surface concentration.

Dan Anderson; K. O. Jeppson

1985-01-01

33

Calculation and application of combined diffusion coefficients in thermal plasmas

NASA Astrophysics Data System (ADS)

The combined diffusion coefficient method is widely used to treat the mixing and demixing of different plasma gases and vapours in thermal plasmas, such as welding arcs and plasma jets. It greatly simplifies the treatment of diffusion for many gas mixtures without sacrificing accuracy. Here, three subjects that are important in the implementation of the combined diffusion coefficient method are considered. First, it is shown that different expressions for the combined diffusion coefficients, arising from different definitions for the stoichiometric coefficients that assign the electrons to the two gases, are equivalent. Second, an approach is presented for calculating certain partial differential terms in the combined temperature and pressure diffusion coefficients that can cause difficulties. Finally, a method for applying the combined diffusion coefficients in computational models, which typically require diffusion to be expressed in terms of mass fraction gradients, is given.

Murphy, Anthony B.

2014-03-01

34

Tiger Team Assessment of the Paducah Gaseous Diffusion Plant

This document contains findings and concerns identified during the Tiger Team Assessment of the Department of Energy's (DOE) Paducah Gaseous Diffusion Plant (PGDP) in Paducah, Kentucky. The assessment was directed by the Department's Office of Environment, Safety and Health (ES H) and was conducted from June 18 to July 20, 1990. The PGDP Tiger Team Assessment is comprehensive in scope. It covers the Environmental, Safety and Health (including OSHA Compliance), and Management areas and determines the site's compliance with applicable federal (including DOE), state, and local regulations and requirements. The objective of the assessment program is to provide the Secretary with information on the current ES H compliance status of DOE facilities, root causation for noncompliance, adequacy of DOE and site contractor ES H management programs, response actions to address the identified problem areas, and DOE-wide ES H compliance trends and root causes.

Not Available

1990-07-01

35

Tiger Team Assessment of the Paducah Gaseous Diffusion Plant

This document contains findings and concerns identified during the Tiger Team Assessment of the Department of Energy's (DOE's) Paducah Gaseous Diffusion Plant (PGDP) in Paducah, Kentucky. The assessment was directed by the Department's Office of Environment, Safety and Health (ES H) and was conducted from June 18 to July 20, 1990. The PGDP Tiger Team Assessment is comprehensive in scope. It covers the Environmental, Safety and Health (including OSHA Compliance), and Management areas and determines the site's compliance with applicable federal (including DOE), state, and local regulations and requirements. The objective of the assessment program is to provide the Secretary with information on the current ES H compliance status of DOE facilities, root causation for noncompliance, adequacy of DOE and site contractor ES H management programs, response actions to address the identified problem areas, and DOE-wide ES H compliance trends and root causes. This volume contains appendices.

Not Available

1990-07-01

36

Seismic issues at the Paducah Gaseous Diffusion Plant

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.

Fricke, K.E. (Martin Marietta Energy Systems, Inc., Oak Ridge, TN (USA))

1989-11-01

37

Measurement of the Portsmouth Gaseous Diffusion Plant criticality accident alarm

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.

Tayloe, R.W. Jr. (Battelle Columbus (USA)); McGinnis, B. (Martin Marietta Energy Systems, Inc., Piketon, OH (USA))

1990-08-31

38

Diffusion coefficient of three-dimensional Yukawa liquids

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.

Dzhumagulova, K. N.; Ramazanov, T. S.; Masheeva, R. U. [IETP, Al Farabi Kazakh National University, 71, al Farabi ave., Almaty 050040 (Kazakhstan)] [IETP, Al Farabi Kazakh National University, 71, al Farabi ave., Almaty 050040 (Kazakhstan)

2013-11-15

39

Combined diffusion coefficients for a mixture of three ionized gases

NASA Astrophysics Data System (ADS)

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.

Zhang, X. N.; Murphy, A. B.; Li, H. P.; Xia, W. D.

2014-12-01

40

Decommissioning of the Gaseous Diffusion Plant at BNFL Capenhurst

The Capenhurst Gaseous Diffusion Plant was built in the early 1950s. It was originally built to produce highly enriched uranium for defense purposes but in the early 1960s the section of the plant which had been used for dealing with high U235 enrichments, the HSD section, was isolated, emptied of its process gas and put into a care and surveillance state. The rest of the plant, the LSD section, then underwent a modification program for low enrichment uranium production for civil use. The plant was shut down in 1982, by which time Urenco Centrifuge Enrichment Plants were built and operating successfully at Capenhurst and the Diffusion Plant was no longer economic. Since that time a program of decommissioning and dismantling has been in progress dealing with over 160,000 tons of surface contaminated metal, concrete and other, potentially hazardous, material. By the middle of 1994 less than 2% of the total volume of the whole project will have been consigned for burial as LLW. Over 98% will have been successfully treated and recycled as clean materials. This paper describes progress on the project, with specific examples of volume reduction and decontamination techniques. The paper demonstrates how BNFL is able to tackle dismantling, volume reduction and decontamination of a large scale nuclear processing plant safely and cost effectively.

Baxter, S.G. [BNFL, Chester (United Kingdom). Capenhurst Works; Bradbury, P. [BNFL Inc., Fairfax, VA (United States)

1993-12-31

41

The mathematical apparatus and the experimental installation for the rapid determination of radon diffusion coefficient in various materials are developed. The single test lasts not longer than 18 h and allows testing numerous materials, such as gaseous and liquid media, as well as soil, concrete and radon-proof membranes, in which diffusion coefficient of radon may vary in an extremely wide range, from 1·10(-12) to 5·10(-5) m(2)/s. The uncertainty of radon diffusion coefficient estimation depends on the permeability of the sample and varies from about 5% (for the most permeable materials) to 40% (for less permeable materials, such as radon-proof membranes). PMID:24412813

Tsapalov, Andrey; Gulabyants, Loren; Livshits, Mihail; Kovler, Konstantin

2014-04-01

42

Self-diffusion coefficient study of liquid lithium

NASA Astrophysics Data System (ADS)

Little liquid lithium experimental self-diffusion coefficient were reported in the literature because of higher risk of radiation measurement method of diffusion coefficient. In the paper, the EAM potential is applied to calculate self-diffusion coefficient of liquid lithium with emphasis on a wide range of temperature, pressure, magnetic field, and gravity acceleration. The results show that the liquid lithium self-diffusion coefficient increases with temperature increasing and decreases with pressure increasing. Calculated self-diffusion coefficient is in good agreement with Murday's experiment results in atmosphere. We get the Arrhenius equation according to the simulation results. The increasing of pressure enlarges the liquid lithium activation energy and lowers the movement of atom in liquid lithium.

Wang, Z. H.; Ni, M. J.

2012-02-01

43

Self-diffusion coefficient study of liquid lithium

NASA Astrophysics Data System (ADS)

Little liquid lithium experimental self-diffusion coefficient were reported in the literature because of higher risk of radiation measurement method of diffusion coefficient. In the paper, the EAM potential is applied to calculate self-diffusion coefficient of liquid lithium with emphasis on a wide rage of temperature, pressure, magnetic field, and gravity acceleration. The results show that the liquid lithium self-diffusion coefficient increases with temperature increasing and decreases with pressure increasing. Calculated self-diffusion coefficient is in good agreement with Murday's experiment results in atmosphere. We get the Arrhenius equation according to the simulation results. The increasing of pressure enlarges the liquid lithium activation energy and lowers the movement of atom in liquid lithium.

Wang, Z. H.; Ni, M. J.

2011-08-01

44

The solubility and diffusion coefficient of helium in uranium dioxide

NASA Astrophysics Data System (ADS)

The solubility and diffusion coefficient of helium in the single-crystal UO 2 samples were determined by a Knudsen-effusion mass-spectrometric method. The measured helium solubilities were found to lie within the scatter of the available data, but to be much lower than those for the polycrystalline samples. The diffusion analysis was conducted based on a hypothetical equivalent sphere model and the simple Fick's law. The helium diffusion coefficient was determined by using the pre-exponential factor and activation energy as the fitting parameters for the measured and calculated fractional releases of helium. The optimized diffusion coefficients were in good agreement with those obtained by a nuclear reaction method reported in the past. It was also found that the pre-exponential factors of the determined diffusion coefficients were much lower than those analyzed in terms of a simple interstitial diffusion mechanism.

Nakajima, Kunihisa; Serizawa, Hiroyuki; Shirasu, Noriko; Haga, Yoshinori; Arai, Yasuo

2011-12-01

45

Bioavailability study for the Paducah Gaseous Diffusion Plant

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).

Phipps, T.L.; Kszos, L.A.

1996-08-01

46

Innovative Decontamination Technology for Use in Gaseous Diffusion Plant Decommissioning

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)

Peters, M.J.; Norton, C.J. [EAI Government Services LLC (United States); Fraikor, G.B. [Alpha Group and Associates (United States); Potter, G.L. [Tamarack Consulting Company (United States); Chang, K.C. [U.S. Department of Energy (United States)

2006-07-01

47

Determination of diffusion coefficient for unsaturated soils

. The laboratory procedure followed involves measuring the soil suction along the length of the sample and at different times using thermocouple psychrometers. The evaluation of the evaporation coefficient (he) has been made an integral part of the procedure...

Sood, Eeshani

2005-08-29

48

This report consists of two papers reviewing the waste storage facility and the landfill projects proposed for the Paducah Gaseous Diffusion Plant complex. The first paper is a review of DOE`s conceptual design report for a mixed waste storage facility. This evaluation is to review the necessity of constructing a separate mixed waste storage facility. The structure is to be capable of receiving, weighing, sampling and the interim storage of wastes for a five year period beginning in 1996. The estimated cost is assessed at approximately $18 million. The review is to help comprehend and decide whether a new storage building is a feasible approach to the PGDP mixed waste storage problem or should some alternate approach be considered. The second paper reviews DOE`s conceptual design report for a solid waste landfill. This solid waste landfill evaluation is to compare costs and the necessity to provide a new landfill that would meet State of Kentucky regulations. The assessment considered funding for a ten year storage facility, but includes a review of other facility needs such as a radiation detection building, compactor/baler machinery, material handling equipment, along with other personnel and equipment storage buildings at a cost of approximately $4.1 million. The review is to help discern whether a landfill only or the addition of compaction equipment is prudent.

NONE

1998-08-01

49

Apparent Diffusion Coefficients from High Angular Resolution Diffusion Imaging: Estimation and

Apparent Diffusion Coefficients from High Angular Resolution Diffusion Imaging: Estimation resolution diffusion imaging has recently been of great interest in characterizing non-Gaussian diffusion pro- cesses. One important goal is to obtain more accurate fits of the apparent diffusion processes

Chen, Yiling

50

Depicting fire and other gaseous phenomena using diffusion processes

Developing a visually convincing model of fire, smoke, and othergaseousphenomenaisamongthemostdifficult andattractive problems in computer graphics. We have created new methods of animating a wide range of gaseous phenomena, including the particularlysubtleproblemofmodelling\\

Jos Stam; Eugene Fiume

1995-01-01

51

Single-particle tracking: the distribution of diffusion coefficients.

In single-particle tracking experiments, the diffusion coefficient D may be measured from the trajectory of an individual particle in the cell membrane. The statistical distribution of single-trajectory diffusion coefficients is examined by Monte Carlo calculations. The width of this distribution may be useful as a measure of the heterogeneity of the membrane and as a test of models of hindered diffusion in the membrane. For some models, the distribution of the short-range diffusion coefficient is much narrower than the observed distribution for proteins diffusing in cell membranes. To aid in the analysis of single-particle tracking measurements, the distribution of D is examined for various definitions of D and for various trajectory lengths. PMID:9083678

Saxton, M J

1997-01-01

52

The temperature variation of hydrogen diffusion coefficients in metal alloys

NASA Technical Reports Server (NTRS)

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.

Danford, M. D.

1990-01-01

53

Onsager coefficients for binary mixture diffusion in nanopores

This paper presents a critical appraisal of current estimation methods for the Onsager coefficients L11, L22, and L12 for binary mixture diffusion inside nanopores using pure component diffusivity data inputs. The appraisal is based on extensive sets of molecular dynamics (MD) simulation data on Lij for a variety of mixtures in zeolites (MFI, AFI, TON, FAU, CHA, DDR, MOR, and

R. Krishna; J. M. van Baten

2008-01-01

54

Empirical determination of diffusion coefficients and geospeedometry

NASA Astrophysics Data System (ADS)

Geospeedometry allows to estimate the cooling rate (s init) of metamorphic rocks at the beginning of the cooling history using diffusion data. But the choice of a diffusion activation energy (E) and a preexponential factor (D 0) from experimental results can be difficult. We propose a method to obtain E directly from the rock itself by studying the variation of the average concentration of elements or isotopes (

Jaoul, Olivier; Béjina, Frédéric

2005-02-01

55

Exploring non-linear cosmological matter diffusion coefficients

Since microscopic velocity diffusion can be incorporated into general relativity in a consistent way, we study cosmological background solutions when the diffusion phenomena takes place in an expanding universe. Our focus here relies on the nature of the diffusion coefficient $\\sigma$ which measures the magnitude of such transport phenomena. We test dynamics where $\\sigma$ has a phenomenological dependence on the scale factor, the matter density, the dark energy and the expansion rate.

Hermano Velten; Simone Calogero

2014-07-16

56

The diffusion equation is solved for a semi-infinite region in the case of irradiation-enhanced diffusion produced by a diffusion coefficient falling off exponentially in the medium. Near the surface the concentration profile due to enhanced diffusion has a larger concentration than the profile due to thermal diffusion; conversely far from the surface the enhanced-diffusion profile has a lower concentration than

J. Kowall; D. Peak; J. W. Corbett

1976-01-01

57

Ion diffusion coefficient measurements in nanochannels at various concentrations.

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

Wang, Junrong; Zhang, Li; Xue, Jianming; Hu, Guoqing

2014-03-01

58

Do thermal diffusion and Dufour coefficients satisfy Onsager's reciprocity relation?

It is commonly admitted that in liquids the thermal diffusion and Dufour coefficients DT and DF satisfy Onsager's reciprocity. From their relation to the cross-coefficients of the phenomenological equations, we are led to the conclusion that this is not the case in general. As illustrative and physically relevant examples, we discuss micellar solutions and colloidal suspensions, where DT arises from chemical reactions or viscous effects but is not related to the Dufour coefficient DF. The situation is less clear for binary molecular mixtures; available experimental and simulation data do not settle the question whether DT and DF are reciprocal coefficients. PMID:25341414

Würger, Alois

2014-10-01

59

ULF wave derived radiation belt radial diffusion coefficients

NASA Astrophysics Data System (ADS)

Waves in the ultra-low-frequency (ULF) band have frequencies which can be drift resonant with electrons in the outer radiation belt, suggesting the potential for strong interactions and enhanced radial diffusion. Previous radial diffusion coefficient models such as those presented by Brautigam and Albert (2000) have typically used semiempirical representations for both the ULF wave's electric and magnetic field power spectral densities (PSD) in space in the magnetic equatorial plane. In contrast, here we use ground- and space-based observations of ULF wave power to characterize the electric and magnetic diffusion coefficients. Expressions for the electric field power spectral densities are derived from ground-based magnetometer measurements of the magnetic field PSD, and in situ AMPTE and GOES spacecraft measurements are used to derive expressions for the compressional magnetic field PSD as functions of Kp, solar wind speed, and L-shell. Magnetic PSD results measured on the ground are mapped along the field line to give the electric field PSD in the equatorial plane assuming a guided Alfvén wave solution and a thin sheet ionosphere. The ULF wave PSDs are then used to derive a set of new ULF-wave driven diffusion coefficients. These new diffusion coefficients are compared to estimates of the electric and magnetic field diffusion coefficients made by Brautigam and Albert (2000) and Brautigam et al. (2005). Significantly, our results, derived explicitly from ULF wave observations, indicate that electric field diffusion is much more important than magnetic field diffusion in the transport and energization of the radiation belt electrons.

Ozeke, Louis G.; Mann, Ian R.; Murphy, Kyle R.; Rae, I. Jonathan; Milling, David K.; Elkington, Scot R.; Chan, Anthony A.; Singer, Howard J.

2012-04-01

60

Diffusion coefficients of alkaline cations in Bure mudrock

NASA Astrophysics Data System (ADS)

In this work, the diffusivities of alkaline cations (Li +, Na +, K +, Rb + and Cs +) were measured in a mudrock sample from Bure (ANDRA site, Meuse/Haute-Marne, France). The material is a natural rock, mainly composed of interstratified illite/smectite, quartz and calcite. It was saturated with a Na-Cl-dominated synthetic solution with an ionic strength of 57 mM and a pH ?8.0. The effective diffusion coefficients ( De) for the cations were determined from their steady-state flux through mudrock slices at 23 °C (through-diffusion technique). HTO diffusion coefficients were systematically measured as well. Measured De for the cations were found to be higher than values predicted from water diffusion alone. Moreover, this observation appeared to depend on the considered species: the ratio between measured and calculated effective diffusion coefficients ranged between two for lithium and nearly one order of magnitude for rubidium and cesium. An interpretation with different models dealing with sorption-diffusion processes is proposed and discussed.

Melkior, T.; Yahiaoui, S.; Thoby, D.; Motellier, S.; Barthès, V.

61

This paper determines the nuclear safety of gaseous UF{sub 6} in the current Gaseous Diffusion Cascade and auxiliary systems. The actual plant safety system settings for pressure trip points are used to determine the maximum amount of HF moderation in the process gas, as well as the corresponding atomic number densities. These inputs are used in KENO V.a criticality safety models which are sized to the actual plant equipment. The ENO V.a calculation results confirm nuclear safety of gaseous UF{sub 6} in plant operations..

Huffer, J.E. [Parallax, Inc., Atlanta, GA (United States)

1997-04-01

62

THE DETERMINATION OF DIFFUSION COEFFICIENT OF INVERT MATERIALS

The Engineered Barrier System (EBS) Testing Department is performing tests in the Department of Energy's Atlas Facility to evaluate the performance of various means for increasing the time for breakthrough of radionuclides from the waste package to the base of the invert. This includes testing various barriers in the invert as a means of increasing breakthrough time through the process of diffusion. A diffusion barrier may serve as an invert material for the emplacement drifts. The invert material may consist of crushed tuff from the repository excavation at Yucca Mountain or silica sand. The objective of this report is to determine the diffusion coefficient of the crushed tuff and silica sand invert materials specified by the EBS Testing Department. The laboratory derived information from the testing was used in the Nernst-Einstein equation (Jurinak et al. 1987, p. 626) to determine the diffusion coefficient of the invert material. This report transmits the results and describes the methodology and interpretation. The scope of this report is to determine the diffusion coefficients of the invert materials mentioned above using the centrifuge at UFA Ventures. Standard laboratory procedures, described in Section 2 of this report, were used. The diffusion coefficients are to be determined over a range of moisture contents. The report contains the diffusion coefficients calculated by the Nernst-Einstein equation (Jurinak et al. 1987, p. 626) that become a part of the Technical Database. Raw data is also included in the report, however this data does not become part of the Technical Database as per Section 3.23 of AP-SIII.3Q ''Submittal and Incorporation of Data to the Technical Data Management System''. A sieve analysis of the samples was not conducted as part of this report, but sieve analysis may be accomplished as part of other reports. Two samples of crushed tuff and two samples of silica sand were tested.

P. Heller and J. Wright

2000-01-11

63

Scale dependency of the effective matrix diffusion coefficient

It has been recognized that matrix diffusion is an important process for retarding solute transport in fractured rock. Based on analyses of tracer transport data from a number of field tests, we demonstrate for the first time that the effective matrix-diffusion coefficient may be scale dependent and generally increases with test scale. A preliminary theoretical explanation of this scale dependency is also presented, based on the hypothesis that solute travel paths within a fracture network are fractals.

Liu, H.H.; Bodvarsson, G.S.; Zhang, G.

2003-05-30

64

The solubility and diffusion coefficient of helium in uranium dioxide

The solubility and diffusion coefficient of helium in the single-crystal UO2 samples were determined by a Knudsen-effusion mass-spectrometric method. The measured helium solubilities were found to lie within the scatter of the available data, but to be much lower than those for the polycrystalline samples. The diffusion analysis was conducted based on a hypothetical equivalent sphere model and the simple

Kunihisa Nakajima; Hiroyuki Serizawa; Noriko Shirasu; Yoshinori Haga; Yasuo Arai

2011-01-01

65

Transient model of an intermediate surge system for the Paducah Gaseous Diffusion Plant

Engineering design work (Reference 1) is underway for intermediate surge systems to be added to the Paducah Gaseous Diffusion Plant (PGDP) cascade as part of the Process Inventory Control System (PICS) project. These systems would be located between 000 buildings and lower half 00 buildings and would remove or add inventory during cascade transients in order to protect cascade compressors from overload and surge. Similar systems were operated in the Oak Ridge Gaseous Diffusion Plant cascade and are operated in the Portsmouth Gaseous Diffusion Plant cascade. A steady state flow analysis of the system to be installed at the PGDP has been made. The flow analysis did not address response of the surge system to the cascade transients, nor did it address automatic control of the system. The need to address these issues prompted development of the transient model described in this report. 2 refs., 8 figs., 2 tabs.

Beard, B.; Blankenship, J.G.; McGrady, P.W.

1989-09-01

66

Radiative extinction of gaseous spherical diffusion flames in microgravity

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

K. J. Santa; B. H. Chao; P. B. Sunderland; D. L. Urban; D. P. Stocker; R. L. Axelbaum

2007-01-01

67

Optimal estimation of diffusion coefficients from single-particle trajectories

NASA Astrophysics Data System (ADS)

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.

Vestergaard, Christian L.; Blainey, Paul C.; Flyvbjerg, Henrik

2014-02-01

68

Estimating The Sodium Ion Diffusion Coefficient in Rat Brain

NASA Astrophysics Data System (ADS)

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.

Goodman, James A.; Bretthorst, G. Larry; Kroenke, Christopher D.; Ackerman, Joseph J. H.; Neil, Jeffrey J.

2004-04-01

69

Prediction of self-diffusion and heterodiffusion coefficients in zircon

NASA Astrophysics Data System (ADS)

An empirical model interconnecting point defect parameters with bulk properties of solids has been employed to calculate the self-diffusion coefficients of O and Si in zircon. Meanwhile, the model is extended to heterodiffusions for the first time in this study, which are estimated for Pb, Ti, Li, trivalent cations (REEs: Sm, Dy, Yb), and tetravalent cations (Th, U, Hf) diffusing in zircon. For most cases, our empirically estimated diffusivities under anhydrous conditions agree well with the experimental measurements over the temperature ranges investigated in the laboratory, as compared to the estimates derived from the anion porosity, although the estimated activation energies of the diffusion have a little bit large uncertainties in some cases.

Zhang, Baohua; Wu, Xiaoping

2011-07-01

70

Oak Ridge Gaseous Diffusion Plant historical uranium and radionuclide release report

This report compiles all available historic data of the quantities of uranium and various radionuclides released from the Oak Ridge Gaseous Diffusion Plant (ORGDP) from 1946 through 1984. Concentrations in the environment and the probable health effects to the public due to those releases are also discussed. The historical release data are compiled into three major areas; airborne releases, liquid

A. C. Lay; J. G. Rogers

1986-01-01

71

Gaseous Diffusion in Porous Media at Uniform Pressure

A model is presented for the diffusion of gases in porous media in the ; absence of pressure gradients, in which the porous medium is visualized as a ; collection of uniformly distributed dust particles which are constrained to be ; stationary. By formally considering the dust particles as giant molecules, it is ; possible to derive all the desired

R. B. Evans III; G. M. Watson; E. A. Mason

1961-01-01

72

Gaseous Diffusion in Porous Media at Uniform Pressure

A model is presented for the diffusion of gases in porous media in the absence of pressure gradients, in which the porous medium is visualized as a collection of uniformly distributed ``dust'' particles which are constrained to be stationary. By formally considering the dust particles as giant molecules, it is possible to derive all the desired results very simply from

R. B. Evans; G. M. Watson; E. A. Mason

1961-01-01

73

Vertical eddy diffusion coefficient from the LANDSAT imagery

NASA Technical Reports Server (NTRS)

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.

Viswanadham, Y. (principal investigator); Torsani, J. A.

1982-01-01

74

Though diffusion weighted imaging (DWI) is frequently used for identifying the ischemic lesion in focal cerebral ischemia, the understanding of spatiotemporal evolution patterns observed with different analysis methods remains imprecise. DWI and calculated apparent diffusion coefficient (ADC) maps were serially obtained in rat stroke models (MCAO): permanent, 90 min, and 180 min temporary MCAO. Lesion volumes were analyzed in a blinded and

Birgul Bastan; Marc Fisher; James P. Bouley; Nils Henninger

2009-01-01

75

The thermal neutron diffusion cooling coefficient in polyethylene

The diffusion cooling coefficient C for thermal neutrons in polyethylene at 20°C has been determined theoretically. Granada's Synthetic Model of the scattering law has been applied to describe the interaction of neutrons with polyethylene. Two approximations of the neutron energy distribution in finite homogeneous systems have been used. The result of the calculation using a rough approximation is CB=2160cm4s?1. According

K. Drozdowi; V. H. Gillette

1999-01-01

76

The determination of molecular diffusion coefficients by the barometric method

The binary molecular diffusion coefficients D\\u000a AB of a vaporizing liquid in gases under atmospheric conditions were measured by the new simple barometric method. A change\\u000a in the pressure of a vapor-gas mixture in a closed cell was determined as a function of time. Under experimental conditions,\\u000a one can also find partial saturated vapor pressures of substances. The deviations of

O. A. Kashirskaya; V. A. Lotkhov; V. V. Dil’man

2008-01-01

77

Numerical solution of stochastic differential equations with constant diffusion coefficients

We present Runge-Kutta methods of high accuracy for stochastic differential equations with constant diffusion coefficients. We analyze L/sub 2/ convergence of these methods and present convergence proofs. For scalar equations a second-order method is derived, and for systems a method of order one-and-one-half is derived. We further consider a variance reduction technique based on Hermite expansions for evaluating expectations of functions of sample solutions. Numerical examples in two dimensions are presented.

Chien-Cheng Chang

1987-10-01

78

Continuum estimate of the heavy quark momentum diffusion coefficient $?$

Among quantities playing a central role in the theoretical interpretation of heavy ion collision experiments at RHIC and LHC are so-called transport coefficients. Out of those heavy quark diffusion coefficients play an important role e.g. for the analysis of the quenching of jets containing c or b quarks (D or B mesons) as observed at RHIC and LHC. We report on a lattice investigation of heavy quark momentum diffusion within pure SU(3) plasma above the deconfinement transition with the quarks treated to leading order in the heavy mass expansion. We measure the relevant colour-electric Euclidean correlator and based on several lattice spacings perform the continuum extrapolation. This extends our previous studies progressing towards a removal of lattice artifacts and a physical interpretation of the results. We find that the correlation function clearly exceeds its perturbative counterpart which suggests that at temperatures just above the critical one, non-perturbative interactions felt by the heavy quarks are stronger than within the weak-coupling expansion. Using an Ansatz for the spectral function which includes NNLO perturbative contributions we were able to determine, for the first time, a continuum estimate for the heavy quark momentum diffusion coefficient.

Olaf Kaczmarek

2014-09-12

79

Long-range global warming impact of gaseous diffusion plant operation

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.

Trowbridge, L.D.

1992-09-01

80

Diffusion anisotropy is a critical property in predicting migration of substances in sedimentary formations with very low permeability. The diffusion anisotropy of sedimentary rocks has been evaluated mainly from laboratory diffusion experiments, in which the directional diffusivities are separately estimated by through-diffusion experiments using different rock samples, or concurrently by in-diffusion experiments in which only the tracer profile in a rock block is measured. To estimate the diffusion anisotropy from a single rock sample, this study proposes an axisymmetric diffusion test, in which tracer diffuses between a cylindrical rock sample and a surrounding solution reservoir. The tracer diffusion between the sample and reservoir can be monitored from the reservoir tracer concentrations, and the tracer profile could also be obtained after dismantling the sample. Semi-analytical solutions are derived for tracer concentrations in both the reservoir and sample, accounting for an anisotropic diffusion tensor of rank two as well as the dilution effects from sampling and replacement of reservoir solution. The transient and steady-state analyses were examined experimentally and numerically for different experimental configurations, but without the need for tracer profiling. These experimental configurations are tested for in- and out-diffusion experiments using Koetoi and Wakkanai mudstones and Shirahama sandstone, and are scrutinized by a numerical approach to identify favorable conditions for parameter estimation. The analysis reveals the difficulty in estimating diffusion anisotropy; test configurations are proposed for enhanced identifiability of diffusion anisotropy. Moreover, it is demonstrated that the axisymmetric diffusion test is efficient in obtaining the sorption parameter from both steady-state and transient data, and in determining the effective diffusion coefficient if isotropic diffusion is assumed. Moreover, measuring reservoir concentrations in an axisymmetric diffusion experiment coupled with tracer profiling may be a promising approach to estimate of diffusion anisotropy of sedimentary rocks.

Takeda, M.; Hiratsuka, T.; Ito, K.; Finsterle, S.

2011-02-01

81

Diffusion anisotropy is a critical property in predicting migration of substances in sedimentary formations with very low permeability. The diffusion anisotropy of sedimentary rocks has been evaluated mainly from laboratory diffusion experiments, in which the directional diffusivities are separately estimated by through-diffusion experiments using different rock samples, or concurrently by in-diffusion experiments in which only the tracer profile in a rock block is measured. To estimate the diffusion anisotropy from a single rock sample, this study proposes an axisymmetric diffusion test, in which tracer diffuses between a cylindrical rock sample and a surrounding solution reservoir. The tracer diffusion between the sample and reservoir can be monitored from the reservoir tracer concentrations, and the tracer profile could also be obtained after dismantling the sample. Semi-analytical solutions are derived for tracer concentrations in both the reservoir and sample, accounting for an anisotropic diffusion tensor of rank two as well as the dilution effects from sampling and replacement of reservoir solution. The transient and steady-state analyses were examined experimentally and numerically for different experimental configurations, but without the need for tracer profiling. These experimental configurations are tested for in- and out-diffusion experiments using Koetoi and Wakkanai mudstones and Shirahama sandstone, and are scrutinized by a numerical approach to identify favorable conditions for parameter estimation. The analysis reveals the difficulty in estimating diffusion anisotropy; test configurations are proposed for enhanced identifiability of diffusion anisotropy. Moreover, it is demonstrated that the axisymmetric diffusion test is efficient in obtaining the sorption parameter from both steady-state and transient data, and in determining the effective diffusion coefficient if isotropic diffusion is assumed. Moreover, measuring reservoir concentrations in an axisymmetric diffusion experiment coupled with tracer profiling may be a promising approach to estimate of diffusion anisotropy of sedimentary rocks. PMID:21288593

Takeda, M; Hiratsuka, T; Ito, K; Finsterle, S

2011-04-25

82

Concentration dependence of translational diffusion coefficients for globular proteins.

This investigation examines published results of traditional diffusion experiments on ovalbumin and bovine serum albumin to determine the extent to which assumed concentration independence of the translational diffusion coefficient is a reasonable approximation in the analysis of boundary spreading in sedimentation velocity experiments on proteins. Although significant positive concentration dependence of the diffusion coefficient (D) for both proteins is predicted by current theories, none has been detected in these experimental diffusion studies performed under the constraints of constant temperature and solvent chemical potential (those also pertinent to sedimentation velocity). Instead, the results are better described by the relatively minor concentration dependence predicted by considering solution viscosity to be an additional source of D-c dependence. Inasmuch as the predicted variation in D for solutions with concentrations below 10 mg mL(-1) is within the uncertainty of experimental estimates, these findings support use of the approximate solution of the Lamm equation developed by Fujita for the quantitative analysis of boundary spreading in sedimentation velocity experiments on proteins. PMID:25306977

Scott, David J; Harding, Stephen E; Winzor, Donald J

2014-10-27

83

Radiative Extinction of Gaseous Spherical Diffusion Flames in Microgravity

NASA Technical Reports Server (NTRS)

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.

Santa, K. J.; Chao, B. H.; Sunderland, P. B.; Urban, D. L.; Stocker, D. P.; Axelbaum, R. L.

2007-01-01

84

Response of radiation belt simulations to different radial diffusion coefficients

NASA Astrophysics Data System (ADS)

Resonant interactions between Ultra Low Frequency (ULF) waves and relativistic electrons may violate the third adiabatic invariant of motion, which produces radial diffusion in the electron radiation belts. This process plays an important role in the formation and structure of the outer electron radiation belt and is important for electron acceleration and losses in that region. Two parameterizations of the resonant wave-particle interaction of electrons with ULF waves in the magnetosphere by Brautigam and Albert [2000] and Ozeke et al. [2012] are evaluated using the Versatile Electron Radiation Belt (VERB) diffusion code to estimate their relative effect on the radiation belt simulation. The period of investigation includes quiet time and storm time geomagnetic activity and is compared to data based on satellite observations. Our calculations take into account wave-particle interactions represented by radial diffusion transport, local acceleration, losses due to pitch-angle diffusion, and mixed diffusion. We show that the results of the 3D diffusion simulations depend on the assumed parametrization of waves. The differences between the simulations and potential missing physical mechanisms are discussed. References Brautigam, D. H., and J. M. Albert (2000), Radial diffusion analysis of outer radiation belt electrons during the October 9, 1990, magnetic storm, J. Geophys. Res., 105(A1), 291-309, doi:10.1029/1999JA900344 Ozeke, L. G., I. R. Mann, K. R. Murphy, I. J. Rae, D. K. Milling, S. R. Elkington, A. A. Chan, and H. J. Singer (2012), ULF wave derived radiation belt radial diffusion coefficients, J. Geophys. Res., 117, A04222, doi:10.1029/2011JA017463.

Drozdov, A.; Shprits, Y.; Subbotin, D.; Kellerman, A. C.

2013-12-01

85

NASA Technical Reports Server (NTRS)

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.

Tenney, D. R.; Unnam, J.

1978-01-01

86

Measurements of uranium holdup in an operating gaseous diffusion enrichment plant

Holdup of nuclear material in process equipment is one of the major sources of uncertainty in materials balances, particularly for high-throughput facilities with large equipment and extensive piping, such as gaseous diffusion uranium-enrichment plants. Locating and measuring the holdup while the plant is operating is a challenging problem because of background from the process material and the neighboring equipment. This paper reports NDA measurements performed at the Goodyear Atomic Gaseous Diffusion Plant, Portsmouth, Ohio, on enrichment equipment at the higher enrichment and (>10% /sup 235/U isotopic abundance) of the cascade. Both neutron and gamma-ray measurements were made to locate anomalously large deposits in converters and compressors and, within the limitations of the techniques, to quantify the amount of the deposit.

Augustson, R.H.; Walton, R.B.; Harris, R.; Harbarger, W.; Hicks, J.; Timmons, G.; Shissler, D.; Tayloe, R.; Jones, S.; Fields, L.

1983-01-01

87

The DEFUZE code for modeling gaseous diffusion of volatile contaminants in the vadose zone

The DEFUSE computer model is a convenient and simple tool for calculating the subsurface gaseous diffusion of volatile contaminants in the vadose zone for the purposes of guiding vadose zone characterization and data collection efforts and for determining the need for site remediation. The reader is referred to Nitao (1990) for further details on the conceptual model for contaminant transport in the vadose zone and an application of DEFUZE to a site at the Lawrence Livermore National Laboratory.

Nitao, J.J.

1994-02-01

88

This report evaluates nuclear criticality safety for Spray Booth Operations in the Decontamination and Recovery Facility, X-705, at the Portsmouth Gaseous Diffusion Plant. A general description of current procedures and related hardware/equipment is presented. Control parameters relevant to nuclear criticality safety are explained, and a consolidated listing of administrative controls and safety systems is developed. Based on compliance with DOE Orders and MMES practices, the overall operation is evaluated, and recommendations for enhanced safety are suggested.

Sheaffer, M.K.; Keeton, S.C.

1993-09-20

89

This report is the first in a series of documents that will evaluate nuclear criticality safety in the Decontamination and Recovery Facility, X-705, Portsmouth Gaseous Diffusion Plant. It provides an overview of the facility, categorizes its functions for future analysis, reviews existing NCS documentation, and explains the follow-on effort planned for X-705. A detailed breakdown of systems, subsystems, and operational areas is presented and cross-referenced to existing NCS documentation.

Sheaffer, M.K.; Keeton, S.C.

1993-08-16

90

Effective diffusion coefficient in 2D periodic channels.

Calculation of the effective diffusion coefficient D(x), depending on the longitudinal coordinate x in 2D channels with periodically corrugated walls, is revisited. Instead of scaling the transverse lengths and applying the standard homogenization techniques, we propose an algorithm based on formulation of the problem in the complex plane. A simple model is solved to explain the behavior of D(x) in the channels with short periods L, observed by Brownian simulations of Dagdug et al. [J. Chem. Phys. 133, 034707 (2010)]. PMID:25318709

Kalinay, Pavol

2014-10-14

91

Effective diffusion coefficient in 2D periodic channels

NASA Astrophysics Data System (ADS)

Calculation of the effective diffusion coefficient D(x), depending on the longitudinal coordinate x in 2D channels with periodically corrugated walls, is revisited. Instead of scaling the transverse lengths and applying the standard homogenization techniques, we propose an algorithm based on formulation of the problem in the complex plane. A simple model is solved to explain the behavior of D(x) in the channels with short periods L, observed by Brownian simulations of Dagdug et al. [J. Chem. Phys. 133, 034707 (2010)].

Kalinay, Pavol

2014-10-01

92

Modeling Infinite Dilution and Fickian Diffusion Coefficients of Carbon Dioxide in Water

Modeling Infinite Dilution and Fickian Diffusion Coefficients of Carbon Dioxide in Water J. Wambui infinite dilution diffusion coefficients for carbon dioxide and water mixtures. The model takes, carbon dioxide, classical thermodynamics Introduction The increase in atmospheric concentrations of CO2

Firoozabadi, Abbas

93

Diffusion coefficients of sulfate and methane in marine sediments: Influence of porosity

Tracer diffusion coefficients of sulfate and methane were determined in seawater ( D o ) and in sediments ( D s ). The diffusion coefficients in seawater (20 S) at 4°C were 0.56 ± 0.04 * 10 -5 cm 2 s -1 for sulfate and 0.87 ±0.10 * 10 -5 cm 2 s -1 for methane. The sediment diffusion coefficients

Niels Iversen; Bo Barker Jørgensen

1993-01-01

94

NASA Astrophysics Data System (ADS)

In this work we study the transport properties of non-interacting overdamped particles, moving on tilted disordered potentials, subjected to Gaussian white noise. We give exact formulas for the drift and diffusion coefficients for the case of random potentials resulting from the interaction of a particle with a "random polymer". In our model the polymer is made up, by means of some stochastic process, of monomers that can be taken from a finite or countable infinite set of possible monomer types. For the case of uncorrelated random polymers we found that the diffusion coefficient exhibits a non-monotonous behavior as a function of the noise intensity. Particularly interesting is the fact that the relative diffusivity becomes optimal at a finite temperature, a behavior which is reminiscent of stochastic resonance. We explain this effect as an interplay between the deterministic and noisy dynamics of the system. We also show that this behavior of the diffusion coefficient at a finite temperature is more pronounced for the case of weakly disordered potentials. We test our findings by means of numerical simulations of the corresponding Langevin dynamics of an ensemble of noninteracting overdamped particles diffusing on uncorrelated random potentials.

Salgado-García, R.

2014-09-01

95

NASA Technical Reports Server (NTRS)

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.

Weinstein, H.; Lavan, Z.

1975-01-01

96

Evaluation of ligand-selector interaction from effective diffusion coefficient.

We present an analytical technique for determination of ligand-selector equilibrium binding constants. The method is based on the measurements of effective molecular diffusion coefficient of the ligand during Poiseuille flow through a long (approximately 25 m), thin (0.254 mm +/- 0.05 mm ID) capillary with and without the selector. The data are analyzed using the Taylor dispersion theory. Bovine Serum Albumin (BSA) and cyclodextrin (CD) were taken as model selectors. We have tested our method on the following selector-ligand complexes: BSA with warfarin, propranolol, noscapine, salicylic acid, and riboflavin, and cyclodextrin with 4-nitrophenol. The results are in good agreement with data from the literature and with our own results obtained within classical chromatography. This method works equally well for uncharged and charged compounds. PMID:20536185

Bielejewska, Anna; Bylina, Andrzej; Duszczyk, Kazimiera; Fia?kowski, Marcin; Ho?yst, Robert

2010-07-01

97

Matrix diffusion coefficients for the NNWSI waste package environment

The Nevada Nuclear Waste Storage Investigations (NNWSI) project is evaluating the tuffaceous rock units at Yucca Mountain, located on the western boundary of the Nevada Test Site, as a potential location for a high level radioactive waste repository. Within the NNWSI project, Lawrence Livermore National Laboratory (LLNL) has been assigned responsibility for the design and qualification of the waste package. This task includes the determination of the waste package environment, the characterization of waste package-repository material interactions and the analysis and testing of the waste package performance in the repository environment. This paper describes an ongoing analysis of experimental work to determine the matrix diffusion coefficient for the NNWSI waste package environment.

Eggert, K.G.; Revelli, M.A.

1985-04-01

98

Experimental study of advective-diffusive gaseous CO2 transport through porous media

NASA Astrophysics Data System (ADS)

Leakage of gaseous CO2 into the shallow subsurface system is one of the main concerns associated with geologic storage resources. A better understanding of CO2 leakage in the shallow subsurface plays an important role for developing leakage monitoring programs. CO2 may reach the unsaturated zone by different leak mechanisms such as exsolution from CO2 supersaturated water and continuous bubbling or gas flow along a leakage path. In the unsaturated zone, the CO2 is heavier than air and may accumulate below the ground surface and move laterally. We developed a small-scale experiment setup to study the possible gaseous CO2 transport mechanisms with different controlled conditions. In this study, the experiment setup was applied to measure CO2 distributions in time and space through homogenous dry sand in which the CO2 concentrations through the domain were measured by sensitive gas sensors. The preliminary analysis of the result suggests that the transport and distribution of gaseous CO2 is spatially and temporally sensitive for the selected experimental conditions of gas flow rate and porous media. To better understand the advection and diffusion processes through the unsaturated zone, the experimental results are coupled with the dusty gas model (DGM) of Mason et al. (1967). The dusty gas model's constitutive relationships are integrated into a numerical model for multicomponent gas mixture flow and transport in porous media. The DGM considers interactions between all gaseous species and Knudsen diffusion which is important in fine grained soils. Results from the applied model were consistent with the experimental breakthrough curves obtained in this study.

Basirat, Farzad; Sharma, Prabhakar; Niemi, Auli; Fagerlund, Fritjof

2014-05-01

99

The gradient of Bicoid (Bcd) is key for the establishment of the anterior-posterior axis in Drosophila embryos. The gradient properties are compatible with the SDD model in which Bcd is synthesized at the anterior pole and then diffuses into the embryo and is degraded with a characteristic time. Within this model, the Bcd diffusion coefficient is critical to set the timescale of gradient formation. This coefficient has been measured using two optical techniques, Fluorescence Recovery After Photobleaching (FRAP) and Fluorescence Correlation Spectroscopy (FCS), obtaining estimates in which the FCS value is an order of magnitude larger than the FRAP one. This discrepancy raises the following questions: which estimate is "correct''; what is the reason for the disparity; and can the SDD model explain Bcd gradient formation within the experimentally observed times? In this paper, we use a simple biophysical model in which Bcd diffuses and interacts with binding sites to show that both the FRAP and the FCS estimates may be correct and compatible with the observed timescale of gradient formation. The discrepancy arises from the fact that FCS and FRAP report on different effective (concentration dependent) diffusion coefficients, one of which describes the spreading rate of the individual Bcd molecules (the messengers) and the other one that of their concentration (the message). The latter is the one that is more relevant for the gradient establishment and is compatible with its formation within the experimentally observed times. PMID:24901638

Sigaut, Lorena; Pearson, John E; Colman-Lerner, Alejandro; Ponce Dawson, Silvina

2014-06-01

100

The gradient of Bicoid (Bcd) is key for the establishment of the anterior-posterior axis in Drosophila embryos. The gradient properties are compatible with the SDD model in which Bcd is synthesized at the anterior pole and then diffuses into the embryo and is degraded with a characteristic time. Within this model, the Bcd diffusion coefficient is critical to set the timescale of gradient formation. This coefficient has been measured using two optical techniques, Fluorescence Recovery After Photobleaching (FRAP) and Fluorescence Correlation Spectroscopy (FCS), obtaining estimates in which the FCS value is an order of magnitude larger than the FRAP one. This discrepancy raises the following questions: which estimate is "correct''; what is the reason for the disparity; and can the SDD model explain Bcd gradient formation within the experimentally observed times? In this paper, we use a simple biophysical model in which Bcd diffuses and interacts with binding sites to show that both the FRAP and the FCS estimates may be correct and compatible with the observed timescale of gradient formation. The discrepancy arises from the fact that FCS and FRAP report on different effective (concentration dependent) diffusion coefficients, one of which describes the spreading rate of the individual Bcd molecules (the messengers) and the other one that of their concentration (the message). The latter is the one that is more relevant for the gradient establishment and is compatible with its formation within the experimentally observed times. PMID:24901638

Sigaut, Lorena; Pearson, John E.; Colman-Lerner, Alejandro; Ponce Dawson, Silvina

2014-01-01

101

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.

Bundy, R.D.; Munday, E.B.

1991-01-01

102

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.

NONE

1995-10-01

103

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.

Sheaffer, M.K.; Keeton, S.C.; Lutz, H.F.

1995-06-01

104

Diffusion coefficient of vegetation: measurements and simulation Y. Smyrnova, J. Kang, C. Blackford reports the initial results of an investigation of the diffuse sound reflection from two typical bedding at reducing noise from urban traffic. Directional diffusion coefficients of the plants have been measured

Paris-Sud XI, UniversitÃ© de

105

Purpose: To investigate whether variability in reported renal apparent diffusion coefficient (ADC) values in literature can be explained by the use of different diffusion weightings (b values) and the use of a monoexponential model to calculate ADC. Materials and Methods: This prospective study was approved by institutional review board and was HIPAA-compliant, and all subjects gave written informed consent. Diffusion-weighted (DW) imaging of the kidneys was performed in three healthy volunteers to generate reference diffusion decay curves. In a literature meta-analysis, the authors resampled the reference curves at the various b values used in 19 published studies of normal kidneys (reported ADC = [2.0–4.1] × 10?3 mm2 / sec for cortex and [1.9–5.1] × 10?3 mm2 / sec for medulla) and then fitted the resampled signals by monoexponential model to produce “predicted” ADC. Correlation plots were used to compare the predicted ADC values with the published values obtained with the same b values. Results: Significant correlation was found between the reported and predicted ADC values for whole renal parenchyma (R2 = 0.50, P = .002), cortex (R2 = 0.87, P = .0002), and medulla (R2 = 0.61, P = .0129), indicating that most of the variability in reported ADC values arises from limitations of a monoexponential model and use of different b values. Conclusion: The use of a monoexponential function for DW imaging analysis and variably sampled diffusion weighting plays a substantial role in causing the variability in ADC of healthy kidneys. For maximum reliability in renal apparent diffusion coefficient quantification, data for monoexponential analysis should be acquired at a fixed set of b values or a biexponential model should be used. © RSNA, 2010 PMID:20089719

Sigmund, Eric E.; Chandarana, Hersh; Rusinek, Henry; Chen, Qun; Vivier, Pierre-Hugues; Taouli, Bachir; Lee, Vivian S.

2010-01-01

106

On the structure of gaseous confined laminar diffusion flames: Numerical investigation

NASA Technical Reports Server (NTRS)

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.

Mawid, M. A.; Bulzan, D. L.; Aggarwal, S. K.

1993-01-01

107

HARDI Denoising: Variational Regularization of the Spherical Apparent Diffusion Coefficient

in medical imaging. Diffusion imaging is a rel- atively new and powerful method to measure the 3D profile of attenuation can be used to measure the rate of water diffusion in any arbitrary 3D direction via the Stejskal of this diffusion anisotropy, initial approaches to assess fiber directions modeled the 3D diffusion Funded

Vese, Luminita A.

108

Water diffusion coefficient measurements in the finger by magnetic resonance imaging.

Diffusion coefficients of water have been measured in the fingers of humans by magnetic resonance imaging. It was found that the measured diffusion coefficients increased with subject age in certain regions of the finger but that these regions differed between males and females. The observation of an increased diffusion coefficient with age appears to be inconsistent with a direct-hydration model and possible explanations are given using other models. It is conjectured that the measured diffusion coefficient of water increases with age as a result of structural changes to proteins. PMID:7968287

Damion, R A; Vennart, W; Summers, I R; Ellis, R E

1994-01-01

109

Holographic relaxation spectroscopy has been used to measure tracer diffusion coefficients for photochromically labeled bovine serum albumin in solutions having total bovine serum albumin concentrations in the range 3.25 to 257 g/liter. In the limit of zero concentration, the diffusion coefficient was found to be 5.9 X 10(-7) cm/sup 2//s and the initial slope was zero. The concentration dependence of the diffusion coefficient was not significantly affected by the fraction of protein molecules which were labeled. Holographic relaxation spectroscopy permits rapid, accurate determination of tracer diffusion coefficients for proteins in mixtures.

Arunyawongsakorn, U.; Johnson, C.S. Jr.; Gabriel, D.A.

1985-04-01

110

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.

Shalchi, A., E-mail: andreasm4@yahoo.com [Department of Physics and Astronomy, University of Manitoba, Winnipeg, Manitoba R3T 2N2 (Canada)

2013-09-01

111

Experimental study on flow and gaseous diffusion behind an isolated building.

To assist validation of numerical models of urban pollution dispersion, the effect of obstacles building on the gaseous diffusion in the wake region have been investigated experimentally in the boundary layer wind tunnel under neutral atmospheric conditions using a tracer gas technique from a point source without buoyancy. The flow and diffusion fields in the boundary layer in an urban environment were investigated in the downwind distance of the obstacle building using an isolated high-rise building model. The scale of the model experiment was assumed to be at 1:500. In the experiment, gaseous pollutant was discharged in the simulated boundary layer over the flat terrain. The effluent velocity of the pollutant was set to be negligible. The velocity field and the turbulence characteristics were analyzed and measured using a hot wire anemometer with a split-fibre probe. The experimental technique was involved the continuous release of tracer gas from a ground level source which was located in the downwind distance of the obstacle model and measured using a fast flame ionization detector (FID). Diffusion characteristics were studied and included both the vertical and lateral mean concentrations and concentration fluctuation intensity at various downwind distances. The results of study were demonstrated that the vertical profiles of the longitudinal mean velocity are very thick around the obstacle wake region due to the turbulence mixing and the smoothing of concentration differences was increased with downwind distance from the obstacle model. Furthermore, the experimental results can help to improve the understanding of mechanisms of pollutant dispersion in an urban environment and also use to validate the corresponding computational fluid dynamics (CFD) prediction. PMID:18193336

Yassin, Mohamed F; Ohba, Masaake; Tanaka, Hideyuki

2008-12-01

112

Local drainage analyses have been performed for the Paducah and Portsmouth Gaseous Diffusion Plants during an extreme storm having an approximate 10,000-yr recurrence interval. This review discusses the methods utilized to accomplish the analyses in accordance with US Department of Energy (DOE) design and evaluation guidelines, and summarizes trends, results, generalizations, and uncertainties applicable to other DOE facilities. Results indicate that some culverts may be undersized, and that the storm sewer system cannot drain the influx of precipitation from the base of buildings. Roofs have not been designed to sustain ponding when the primary drainage system is clogged. Some underground tunnels, building entrances, and ground level air intakes may require waterproofing.

Johnson, R.O.; Wang, J.C.; Lee, D.W.

1993-11-01

113

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. [ed.

1994-03-01

114

A probabilistic safety analysis of UF{sub 6} handling at the Portsmouth Gaseous Diffusion Plant

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.

Boyd, G.J.; Lewis, S.R.; Summitt, R.L. [Safety and Reliability Optimization Services (SAROS), Inc., Knoxville, TN (United States)

1991-12-31

115

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.

Not Available

1991-09-25

116

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.

Kszos, L.A.; Hinzman, R.L.; Peterson, M.J.; Ryon, M.G.; Smith, J.G.; Southworth, G.R.

1995-06-01

117

Quaternary Diffusion Coefficients in a Protein-Polymer-Salt-Water System Determined by Rayleigh in a protein-polymer-salt-water quaternary system. Specifically, we have measured the nine multicomponent diffusion coefficients, Dij, for the lysozyme-poly(ethylene glycol)-NaCl-water system at pH 4.5 and 25 Â°C

Annunziata, Onofrio

118

Diffusion coefficients for LMFBR cells calculated with MOC and Monte Carlo methods

The present work discusses the calculation of the diffusion coefficient of a lattice of hexagonal cells, with both “sodium present” and “sodium absent” conditions. Calculations are performed in the framework of lattice theory (also known as fundamental mode approximation). Unlike the classical approaches, our heterogeneous leakage model allows the calculation of diffusion coefficients under all conditions, even if planar voids

W. F. G. van Rooijen; G. Chiba

2011-01-01

119

Measurement of sound diffusion coefficients of scattering furnishing volumes present in workplaces

Measurement of sound diffusion coefficients of scattering furnishing volumes present in workplaces of an initial database of the sound diffusion coefficient per octave of scattering furniture in workplaces. 1 software tools for mapping the sound pressure field in workplaces employ acoustic characteristics

Paris-Sud XI, UniversitÃ© de

120

3d Space-Varying Coefficient Models with Application to Diffusion Tensor Imaging

3d Space-Varying Coefficient Models with Application to Diffusion Tensor Imaging S. Heim a,, L regressions is reformulated as a 3d space-varying coefficient model (SVCM) for the entire set of diffusion tensor images recorded on a 3d voxel grid. The SVCM unifies the three-step cascade of standard data

Marx, Brian D.

121

Background and Purpose—Diffusion-weighted MR imaging is very sensitive for the detection of restricted molecular water diffusion in acute ischemic stroke. CT is sensitive to net water uptake in ischemic edema. We compared the decrease in the apparent diffusion coefficient (ADC) in diffusion-weighted MR imaging with CT density changes to study the correlation between diffusion restriction and water uptake in acute

Thomas Kucinski; Ole Väterlein; Volkmar Glauche; Jens Fiehler; Ernst Klotz; Bernd Eckert; Christoph Koch; Joachim Röther; Hermann Zeumer

122

The diffusion coefficient of a circular shaped inclusion in a liquid membrane is investigated by taking into account the interaction between membranes and bulk solvents of arbitrary thickness. As illustrative examples, the diffusion coefficients of two types of inclusions - a circular domain composed of fluid with the same viscosity as the host membrane and that of a polymer chain embedded in the membrane are studied.The diffusion coefficients are expressed in terms of the hydrodynamic screening lengths which vary according to the solvent thickness. When the membrane fluid is dragged by the solvent of finite thickness, via stick boundary conditions, multiple hydrodynamic screening lengths together with the weight factors to the diffusion coefficients are obtained from the dispersion relation. The condition for which the diffusion coefficients can be approximated by the expression including only a single hydrodynamic screening length are also shown.

Kazuhiko Seki; Sanoop Ramachandran; Shigeyuki Komura

2011-05-19

123

The purpose of this study was to analyze and evaluate a model of restricted water diffusion between equidistant permeable membranes for cell-size and permeability measurements in biological tissue. Based on the known probability distribution of diffusion distances after the diffusion time ? in a system of permeable membranes characterized by three parameters (membrane permeability P, membrane distance L, and free diffusivity D0), an equivalent dimensionless model was derived with a probability distribution characterized by only a single (dimensionless) tissue parameter [Formula: see text]. Evaluating this proposed model function, the dimensionless diffusion coefficient [Formula: see text] was numerically calculated for 60 values of the dimensionless diffusion time [Formula: see text] and 35 values of [Formula: see text]. Diffusion coefficients were measured in a carrot by diffusion-weighted magnetic resonance imaging (MRI) at 18 diffusion times between 9.9 and 1022.7 ms and fitted to the simulation results [Formula: see text] to determine L, P, and D0. The measured diffusivities followed the simulated dependence of [Formula: see text]. Determined cell sizes varied from 21 to 76 ?m, permeabilities from 0.007 to 0.039 ?m(-1), and the free diffusivities from 1354 to 1713 ?m(2)?s(-1). In conclusion, the proposed dimensionless tissue model can be used to determine tissue parameters (D0, L, P) based on diffusion MRI with multiple diffusion times. Measurements in a carrot showed a good agreement of the cell diameter, L, determined by diffusion MRI and by light microscopy. PMID:24839979

Dietrich, Olaf; Hubert, Alexander; Heiland, Sabine

2014-06-21

124

Single-Image Diffusion Coefficient Measurements of Proteins in Free Solution

Diffusion coefficient measurements are important for many biological and material investigations, such as studies of particle dynamics and kinetics, and size determinations. Among current measurement methods, single particle tracking (SPT) offers the unique ability to simultaneously obtain location and diffusion information about a molecule while using only femtomoles of sample. However, the temporal resolution of SPT is limited to seconds for single-color-labeled samples. By directly imaging three-dimensional diffusing fluorescent proteins and studying the widths of their intensity profiles, we were able to determine the proteins' diffusion coefficients using single protein images of submillisecond exposure times. This simple method improves the temporal resolution of diffusion coefficient measurements to submilliseconds, and can be readily applied to a range of particle sizes in SPT investigations and applications in which diffusion coefficient measurements are needed, such as reaction kinetics and particle size determinations. PMID:22500769

Zareh, Shannon Kian; DeSantis, Michael C.; Kessler, Jonathan M.; Li, Je-Luen; Wang, Y.M.

2012-01-01

125

PITCH-ANGLE DIFFUSION COEFFICIENTS OF CHARGED PARTICLES FROM COMPUTER SIMULATIONS

Pitch-angle diffusion is a key process in the theory of charged particle scattering by turbulent magnetic plasmas. This process is usually assumed to be diffusive and can, therefore, be described by a pitch-angle diffusion or Fokker-Planck coefficient. This parameter controls the parallel spatial diffusion coefficient as well as the parallel mean free path of charged particles. In the present paper, we determine pitch-angle diffusion coefficients from numerical computer simulations. These results are then compared with results from analytical theories. Especially, we compare the simulations with quasilinear, second-order, and weakly nonlinear diffusion coefficients. Such a comparison allows the test of previous theories and will lead to an improved understanding of the mechanism of particle scattering.

Qin, G. [State Key Laboratory of Space Weather, Center for Space Science and Applied Research, Chinese Academy of Sciences, Beijing 100190 (China); Shalchi, A. [Permanent Address: Institut fuer Theoretische Physik, Lehrstuhl IV: Weltraum- und Astrophysik, Ruhr-Universitaet Bochum, D-44780 Bochum, Germany. (Germany)

2009-12-10

126

Diffusion in mixed solvents. III - The heat of mixing parameter and the Soret coefficient

NASA Technical Reports Server (NTRS)

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.

Carapellucci, P. A.

1976-01-01

127

A comparison of ambipolar diffusion coefficients in meteor trains using VHF radar and UV lidar

In this paper we present the first comparative estimations of ionic diffusion rates for sporadic meteor trains near the mesopause made using VHF radar and UV Rayleigh lidar observations. In both cases we initially assumed that the meteor trains dissipate primarily through ambipolar diffusion. For the radar data, the diffusion coefficient within the meteor train was determined from the decay

Phillip B. Chilson; Peter Czechowsky; Gerhard Schmidt

1996-01-01

128

Impurity Diffusion Coefficients of Al and Zn in Mg Determined from Solid-to-Solid Diffusion Couples

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.

Kammerer, Catherine [University of Central Florida, Orlando; Kulkarni, Nagraj S [ORNL; Warmack, Robert J Bruce [ORNL; Perry, Kelly A [ORNL; Belova, Irina [University of Newcastle, NSW, Australia; Murch, Prof. Graeme [University of Newcastle, NSW, Australia; Sohn, Yong Ho [University of Central Florida

2013-08-01

129

Stomatal Frequency and Atmospheric CO2: a Model Based on Photosynthesis and Gaseous Diffusion

NASA Astrophysics Data System (ADS)

Gaseous exchange in land plants occurs via micropores on the plant surface, the stomata. The stomatal frequency (SF) of leaves has attracted considerable interest with respect to increasing atmospheric CO2 since Woodward (1987) demonstrated that this parameter changes inversely with CO2 in various species. The response is due to 1) individual phenotypic plasticity and 2) evolutionary change, depending on the considered time scale. The SF-CO2 response is regarded to represent a valuable device for determining past atmospheric CO2 concentration and SF data from fossil plant material are therefore often used as CO2 proxies. There are, however, numerous difficulties which have to be considered, such as: 1) high variance of the data, especially for fossil material, 2) interspecific differences of the response, 3) the CO2 ceiling (= weak or no response under CO2 concentration higher than ambient) and 4) differences between short-term and long-term responses. Although processes related to plant gaseous exchange are assumed to represent the causal basis for the response, no clear explanatory model has yet been proposed and even doubts have emerged about the real existence of this phenomenon. In this contribution it is shown that results obtained with a model based on diffusion and assimilation suggest that the SF-CO2 response is a structural adjustment of maximum stomatal conductance. The results 1) offer a clear explanation for the often observed weak response of stomatal frequency to CO2 levels higher than ambient, 2) provide a simple equation for calculating ancient CO2 levels from stomatal data, and 3) can contribute to predictions concerning plant reactions to elevated CO2 levels in the future.

Roth-Nebelsick, A.; Konrad, W.

2004-12-01

130

Non-metal diffusion coefficients for the Ta-C and Ta-N systems

The diffusivity of carbon in tantalum and tantalum carbides was investigated in the temperature range 1,700--2,200 C, and that of nitrogen in tantalum and tantalum nitrides between 1,700--1,950 C. The concentration-independent diffusion coefficients were obtained in all phases by investigating the enhanced layer growth in wedge-shaped specimens. In the nonmetal-rich phases having a broad homogeneity range, i.e., in {delta}-TaC{sub 1{minus}x}, {beta}-Ta{sub 2}C{sub 1{minus}x} and {beta}-Ta{sub 2}N{sub 1{minus}x}, also the concentration-dependent diffusion coefficients were calculated and compared with the concentration-independent diffusion coefficients. The calculation of the concentration-dependent diffusion coefficients was performed by fitting a modified error function on the measured concentration profiles assuming the nonmetal diffusivity being an exponential function of the nonmetal concentration. Strong dependence of the diffusion coefficient on the nonmetal concentration was found for the {delta}-TaC{sub 1{minus}x} phase, whereas the nonmetal diffusion coefficients were nearly concentration-independent for {beta}-Ta{sub 2}C{sub 1{minus}x} and {beta}-Ta{sub 2}N{sub 1{minus}x}.

Rafaja, D.; Lengauer, W.; Wisenberger, H. [Vienna Univ. of Technology (Austria). Inst. for Chemical Technology of Inorganic Materials] [Vienna Univ. of Technology (Austria). Inst. for Chemical Technology of Inorganic Materials

1998-06-12

131

Spin waves and spin diffusion in Fermi liquids: Bounds on effective diffusion coefficients

We investigate the accuracy of the usual relaxation-time approximations, involving the spin-diffusion lifetime tau/sub D/, which are generally made in analyses of spin waves and the Leggett-Rice effect in Fermi liquids. By employing the variational methods of Ah-Sam, Hojgaard-Jensen, and Smith and of Egilsson and Pethick, we are able to determine upper and lower bounds on the effective diffusion coefficient resulting from spin-wave phenomena which are accurate in the whole Fermi-liquid regime (T<

Bedell, K.S.; Meltzer, D.E.

1986-04-01

132

Effective diffusion coefficient of a Brownian particle in a periodically expanded conical tube

NASA Astrophysics Data System (ADS)

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.

Antipov, Anatoly E.; Barzykin, Alexander V.; Berezhkovskii, Alexander M.; Makhnovskii, Yurii A.; Zitserman, Vladimir Yu.; Aldoshin, Sergei M.

2013-11-01

133

A novel technique has been used to determine the effective diffusion coefficients for 1,1,2-trichloroethane (TCE), a nonreacting tracer, in biofilms growing on the external surface of a silicone rubber membrane tube during degradation of 1,2-dichloroethane (DCE) by Xanthobacter autotrophicus GJ10 and monochlorobenzene (MCB) by Pseudomonas JS150. Experiments were carried out in a single tube extractive membrane bioreactor (STEMB), whose configuration makes it possible to measure the transmembrane flux of substrates. A video imaging technique (VIT) was employed for in situ biofilm thickness measurement and recording. Diffusion coefficients of TCE in the biofilms and TCE mass transfer coefficients in the liquid films adjacent to the biofilms were determined simultaneously using a resistances-in-series diffusion model. It was found that the flux and overall mass transfer coefficient of TCE decrease with increasing biofilm thickness, showing the importance of biofilm diffusion on the mass transfer process. Similar fluxes were observed for the nonreacting tracer (TCE) and the reactive substrates (MCB or DCE), suggesting that membrane-attached biofilm systems can be rate controlled primarily by substrate diffusion. The TCE diffusion coefficient in the JS150 biofilm appeared to be dependent on biofilm thickness, decreasing markedly for biofilm thicknesses of >1 mm. The values of the TCE diffusion coefficients in the JS150 biofilms <1-mm thick are approximately twice those in water and fall to around 30% of the water value for biofilms >1-mm thick.

Zhang, S.F.; Splendiani, A.; Freitas dos Santos, L.M.; Livingston, A.G. [Imperial College of Science, Technology and Medicine, London (United Kingdom). Dept. of Chemical Engineering and Chemical Technology] [Imperial College of Science, Technology and Medicine, London (United Kingdom). Dept. of Chemical Engineering and Chemical Technology

1998-07-05

134

From free to effective diffusion coefficients in fluorescence correlation spectroscopy experiments

NASA Astrophysics Data System (ADS)

Diffusion is one of the main transport processes that occur inside cells determining the spatial and time distribution of relevant action molecules. In most cases these molecules not only diffuse but also interact with others as they get transported. When these interactions occur faster than diffusion the resulting transport can be characterized by “effective diffusion coefficients” that depend on both the reaction rates and the “free” diffusion coefficients. Fluorescence correlation spectroscopy (FCS) gives information on effective rather than free diffusion coefficients under this condition. In the present paper we investigate what coefficients can be drawn from FCS experiments for a wide range of values of the ratio of reaction to diffusion time scales, using different fitting functions. We find that the effective coefficients can be inferred with relatively small errors even when the condition of fast reactions does not exactly hold. Since the diffusion time scale depends on the size of the observation volume and the reaction time scale depends on concentrations, we also discuss how by changing either one or the other property one can switch between the two limits and extract more information on the system under study.

Ipiña, Emiliano Pérez; Dawson, Silvina Ponce

2013-02-01

135

Binary mutual diffusion coefficients of aqueous alcohols. Methanol to 1-heptanol

Mutual diffusion coefficients, measured by Taylor dispersion at 25 C, are reported for binary aqueous solutions of methanol, ethanol, isomeric propanols and butanols, 1-pentanol, 1-hexanol, and 1-heptanol. Limiting diffusion coefficients (D{sup 0}) for the 1-alkanols are found to decrease with alcohol molar volume V approximately as V{sup {minus}1/2}. Although values of D{sup 0} for aqueous 1-propanol and 2-propanol are nearly identical within experimental error, the limiting diffusion coefficients of the isomeric butanols differ by up to 10% and increase in the order D{sup 0}(2-methyl-2-propanol) < D{sup 0}(2-butanol) {approx} D{sup 0}(2-methyl-1-propanol) < D{sup 0}(1-butanol). The butanol results illustrate the difficulty of predicting accurate diffusion coefficients for aqueous solutions.

Hao, L.; Leaist, D.G. [Univ. of Western Ontario, London, Ontario (Canada). Dept. of Chemistry] [Univ. of Western Ontario, London, Ontario (Canada). Dept. of Chemistry

1996-03-01

136

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.

Lai, C.C.; Tan, C.S. (National Tsing Hua Univ., Hsinchu (Taiwan, Province of China). Dept. of Chemical Engineering)

1995-02-01

137

On the determinatino of high-pressure mass-diffusion coefficients for binary mixtures

NASA Technical Reports Server (NTRS)

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.

Bellan, J.; Harstad, K.

2003-01-01

138

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.

Namdoo Moon

2007-12-01

139

Environmental Survey preliminary report, Oak Ridge Gaseous Diffusion Plant, Oak Ridge, Tennessee

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.

Not Available

1989-02-01

140

LANMAS alpha configured for Sandia National Laboratories and Paducah Gaseous Diffusion Plant

Los Alamos National Laboratory and the Westinghouse Hanford Company have been working jointly for the past 2 years to develop LANMAS (Local Area Network Material Accountability System), the next generation of a US Department of Energy nuclear material accountability system. LANMAS is being designed to reflect the broad-based needs of the US Department of Energy`s Material Control & Accountability and Nuclear Materials Management communities, and its developers believe that significant cost savings can be achieved by implementing LANMAS complex-wide, where feasible. LANMAS is being designed so that it is transportable to appropriate US Department of Energy sites. To accomplish this, LANMAS will be configurable to local site work culture. Many US Department of Energy sites are interested in the LANMAS project, and several have participated in its development; some have committed resources. The original LANMAS project team included representatives from the Hanford Site and Los Alamos. As of June 1993, the following sites have also supported the project: Sandia National Laboratory Albuquerque; Sandia National Laboratory Livermore; Paducah Gaseous Diffusion Plant; Lawrence Livermore National Laboratory; Bettis Atomic Power Laboratory; and Knolls Atomic Power Laboratory. In addition, LANMAS is being targeted as a candidate for the US Department of Energy Complex 21, a project designed to restructure the nation`s nuclear weapons complex.

Woychick, M.R. [ed.; McRae, L.P. [Westinghouse Hanford Co., Richland, WA (United States); Bracey, J.T. [Martin Marietta Energy Systems, Inc., Oak Ridge, TN (United States); Kern, E.A. [Los Alamos National Lab., NM (United States); Alvarado, A. [Sandia National Labs., Albuquerque, NM (United States)

1993-07-01

141

Oak Ridge Gaseous Diffusion Plant Biological Monitoring and Abatement Program for Mitchell Branch

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.

Loar, J.M.; Adams, S.M.; Kszos, L.A.; Ryon, M.G.; Smith, J.G.; Southworth, G.R.; Stewart, A.J.

1992-01-01

142

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. [ed.

1996-05-01

143

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.

Kszos, L.A.; Peterson, M.J.; Ryon, M.G.; Smith, J.G.; Southworth, G.R.

1998-03-01

144

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.

Kszos, L.A. [ed.; Konetsky, B.K.; Peterson, M.J.; Petrie, R.B.; Ryon, M.G.; Smith, J.G.; Southworth, G.R.

1997-06-01

145

Characteristics of Gaseous Diffusion Flames with High Temperature Combustion Air in Microgravity

NASA Technical Reports Server (NTRS)

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.

Ghaderi, M.; Gupta, A. K.

2003-01-01

146

Diffusion coefficients of alkaline cations in Bure mudrock

In this work, the diffusivities of alkaline cations (Li+, Na+, K+, Rb+ and Cs+) were measured in a mudrock sample from Bure (ANDRA site, Meuse\\/Haute-Marne, France). The material is a natural rock, mainly composed of interstratified illite\\/smectite, quartz and calcite. It was saturated with a Na-Cl-dominated synthetic solution with an ionic strength of 57mM and a pH ?8.0. The effective

T. Melkior; S. Yahiaoui; D. Thoby; S. Motellier; V. Barthès

2007-01-01

147

Though diffusion weighted imaging (DWI) is frequently used for identifying the ischemic lesion in focal cerebral ischemia, the understanding of spatiotemporal evolution patterns observed with different analysis methods remains imprecise. DWI and calculated apparent diffusion coefficient (ADC) maps were serially obtained in rat stroke models (MCAO): permanent, 90 min, and 180 min temporary MCAO. Lesion volumes were analyzed in a blinded and randomized manner by 2 investigators using (i) a previously validated ADC threshold, (ii) visual determination of hypointense regions on ADC maps, and (iii) visual determination of hyperintense regions on DWI. Lesion volumes were correlated with 24 hour 2,3,5-triphenyltetrazoliumchloride (TTC)-derived infarct volumes. TTC-derived infarct volumes were not significantly different from the ADC and DWI-derived lesion volumes at the last imaging time points except for significantly smaller DWI lesions in the pMCAO model (p=0.02). Volumetric calculation based on TTC-derived infarct also correlated significantly stronger to volumetric calculation based on last imaging time point derived lesions on ADC maps than DWI (p<0.05). Following reperfusion, lesion volumes on the ADC maps significantly reduced but no change was observed on DWI. Visually determined lesion volumes on ADC maps and DWI by both investigators correlated significantly with threshold-derived lesion volumes on ADC maps with the former method demonstrating a stronger correlation. There was also a better interrater agreement for ADC map analysis than for DWI analysis. Ischemic lesion determination by ADC was more accurate in final infarct prediction, rater independent, and provided exclusive information on ischemic lesion reversibility. PMID:19427841

Bråtane, Bernt Tore; Bastan, Birgul; Fisher, Marc; Bouley, James; Henninger, Nils

2009-07-01

148

A model of cefoperazone tissue penetration: diffusion coefficient and protein binding.

The apparent diffusion coefficient of a bound drug, cefoperazone, was studied. The protein binding of cefoperazone was studied by voltammetry, a technique which permitted instant measurements. The apparent diffusion coefficients were similar in agar and fibrin and lower in rat brain tissue. The influence of protein on the value of the apparent diffusion coefficient was negligible. The hypothesis that only the free drug diffuses was supported. The percentage of binding determined by voltammetry corresponded to the true concentration of drug which diffuses and is much lower than the percentage of binding determined by the ultrafiltration centrifugation method. This discrepancy could be explained by the rate of dissociation of the protein-drug complex. PMID:1605594

Meulemans, A

1992-01-01

149

Determination of the zincate diffusion coefficient and its application to alkaline battery problems

NASA Technical Reports Server (NTRS)

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.

May, C. E.; Kautz, Harold E.

1978-01-01

150

Effective molecular diffusion coefficient in a two-phase gel medium

We derive a mean-field expression for the effective diffusion coefficient of a probe molecule in a two-phase medium consisting of a hydrogel with large gel-free solvent inclusions, in terms of the homogeneous diffusion coefficients in the gel and in the solvent. Upon comparing with exact numerical lattice calculations, we find that our expression provides a remarkably accurate prediction for the

Owen A. Hickey; Jean-François Mercier; Michel G. Gauthier; Fre´de´ric Tessier; Smaine Bekhechi; Gary W. Slater

2006-01-01

151

Diffusion coefficient measurements are required in a number of engineering applications and also in testing transport property theories. The diffusion coefficients of benzene, toluene, p-xylene, o-xylene, ethylbenzene, and mesitylene at infinite dilution in octane and in 2,2,4-trimethylpentane in the temperature range 303.2--333.2 K were determined by the Taylor dispersion technique. A correlation based on a free-volume-type expression represented the results to within experimental uncertainty.

Fan, Y.; Qian, R.; Shi, M.; Shi, J. [Nanjing Institute of Chemical Technology (China). Dept. of Chemical Engineering

1995-09-01

152

The possibility is investigated of using the method of molecular dynamics for calculating the self-diffusion coefficient of\\u000a liquids and gases. The exactness of calculation of the autocorrelation function of the velocity of molecules and of the self-diffusion\\u000a coefficient is systematically estimated. The characteristic errors of the method are analyzed. Correlations are constructed\\u000a which enable one to reduce the effect made

V. Ya. Rudyak; A. A. Belkin; D. A. Ivanov; V. V. Egorov

2008-01-01

153

Comparison of ICRF-Induced Ion Diffusion Coefficients Calculated with the DC and AORSA Codes

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.

Harvey, R. W.; Petrov, Yu. [CompX, P.O. Box 2672, Del Mar, CA 92014-5672 (United States); Jaeger, E. F.; Berry, L. A.; Batchelor, D. B. [Oak Ridge National Laboratory, Oak Ridge (United States); Bonoli, P. T.; Wright, J. C. [MIT Plasma Science and Fusion Center, Cambridge (United States)

2009-11-26

154

Size and dimension dependent diffusion coefficients of SnO2 nanoparticles

NASA Astrophysics Data System (ADS)

The size and dimension dependences of diffusion coefficient in SnO2 nanoparticles have been studied using Arrhenius relation and Lindemann's criteria. We have calculated diffusion coefficients of nitrogen doped SnO2 nanoparticles, with different sizes ranging from 1 nm to 20 nm. It is found that as the size of nanoparticles decreases, the diffusion activation energy of atoms decreases and results in the increase of diffusion coefficient. The dimension dependence has also been calculated for 0-, 1- and 2 dimensions. In the present paper, the size dependence of self diffusion coefficient is also reported for different dimensions in SnO2 nanoparticles. From calculated results, it can be observed that diffusion coefficient in the case of spherical SnO2 nanoparticles (0-d) is higher than the nanostructures of other dimensions such as cylindrical (1-d) and thin films (2-d) due to the fact that the activation energy for spherical particles is lower than the cylindrical wires and thin films. The size and dimension dependences in SnO2 nanoparticles show similar behavior for self diffusion as well as doped with nitrogen.

Bhatt, Purvi A.; Pratap, Arun; Jha, Prafulla K.

2013-06-01

155

Modeling spectral diffuse attenuation, absorption, and scattering coefficients in a turbid estuary

Spectral diffuse attenuation coefficients were measured in the Rhode River and Chesapeake Bay, Maryland, on 28 occasions in 1988 and 1989. The model of Kirk was used to extract scattering and absorption coefficients from the measurements in waters considerably more turbid than those in which the model was previously applied. Estimated scattering coefftcients were linearly related to mineral suspended solids.

CHARLES L. GALLEGOS; DAVID L. CORRELL; J. W. PIERCE

1990-01-01

156

Thermodiffusion or Soret effect, corresponding to a mass flux caused by a temperature gradient applied to fluid mixture, has been taken into account in many porous media applications, particularly in chemical engineering and geophysics. In the literature, the effective macro-scale diffusion coefficients are now well established, while uncertainty remains concerning the relationship between the effective thermodiffusion coefficient and micro-scale parameters

H. Davarzani; M. Marcoux; P. Costeseque; M. Quintard

2010-01-01

157

The presence of moisture in asphalt pavements detrimentally affects the bond between the aggregate and binder and the bond within the binder. The loss of these bonds leads to the deterioration of asphalt pavements. In regions with low rainfall, moisture diffusion is an important source of moisture transport in asphalt mixtures. The diffusion coefficient is a necessary input for models

Emad Kassem; Eyad Masad; Robert Lytton; Rifat Bulut

2009-01-01

158

Propagator for the Fokker-Planck equation with an arbitrary diffusion coefficient.

We consider a general diffusion process that is force-free and the corresponding Fokker-Planck equation with an arbitrary diffusion coefficient. A propagator for the Fokker-Planck equation of the Stratonovich form is obtained based on random walks. The characteristics of the solution are analyzed. PMID:24329387

Lee, Chern; Zhu, Ka-Di; Chen, Ji-Gen

2013-11-01

159

Knowledge of the diffusion coefficient is necessary for modeling gas transport in soils and other porous media. This study was con- ducted to determine the relationship between the diffusion coeffi- cient and pore structure parameters, such as the fractal dimension of pores (Dmp), the shortest path length through the medium (lmin), and the fractal dimension of the shortest path (Dmin).

Gang Liu; Baoguo Li; Kelin Hu; M. Th. van Genuchten

2006-01-01

160

A first-principles methodology for diffusion coefficients in metals and dilute alloys

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

Manjeera Mantina

2008-01-01

161

NASA Astrophysics Data System (ADS)

Methanol diffusion and electroosmotic drag coefficients for different polymer-electrolyte-membranes have been investigated. It is essential to understand the transport phenomena of water and methanol transport in perfluoro sulfonic acid (PSA) membranes under different methanol concentrations and current densities in order to optimize cell performance and operation. The dependence of the methanol diffusion coefficient as well as the electroosmotic drag coefficient on methanol concentration and current density were observed. The results are discussed in comparison to measured values obtained by other scientific groups.

Schaffer, Thomas; Tschinder, Thomas; Hacker, Viktor; Besenhard, Jürgen O.

162

Prediction of diffusion coefficients in cement-based materials on the basis of migration experiments

The chloride diffusion and migration coefficients of 15 different mortar mixtures were systematically compared. Test parameters included water/binder ratio (0.25 and 0.45), type of binder (ASTM type 1, ASTM type 3, and ASTM type 5), use of silica fume and sand volume fractions (0%, 30%, and 50%). Test results indicate the various ways of evaluating chloride transport coefficients generally yield much different values. Test results also show that the assumption of non interacting diffusing flows, used in the mathematical treatment of diffusion and migration equations, is most probably incorrect.

Delagrave, A.; Marchand, J.; Samson, E. [Univ. Laval, Ste-Foy, Quebec (Canada)] [Univ. Laval, Ste-Foy, Quebec (Canada)

1996-12-01

163

NASA Astrophysics Data System (ADS)

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.

Yang, Linlin; Sun, Hai; Fu, Xudong; Wang, Suli; Jiang, Luhua; Sun, Gongquan

2014-07-01

164

NASA Astrophysics Data System (ADS)

Radial diffusion is one of the most important acceleration mechanisms for radiation belt electrons, which can be enhanced from drift-resonant interactions with large-scale fluctuations of the magnetosphere's magnetic and electric fields (Pc5 range of ULF waves). In order to physically quantify the radial diffusion coefficient, DLL, we run the global Lyon-Fedder-Mobarry (LFM) MHD simulations to obtain the mode structure and power spectrum of the ULF waves and validate the simulation results with available satellite measurements. The calculated diffusion coefficients, directly from the MHD fields over a Corotating Interaction Region (CIR) storm in March 2008, are generally higher when solar wind dynamic pressure is enhanced or AE index is high. In contrary to the conventional understanding, our results show that inside geosynchronous orbit the total diffusion coefficient from MHD fields is dominated by the contribution from electric field perturbations, rather than the magnetic field perturbations. The calculated diffusion coefficient has a physical dependence on ? (or electron energy) and L, which is missing in the empirical diffusion coefficient, DLLKp as a function of Kp index, and DLLKp are generally greater than our calculated DLL during the storm event. Validation of the MHD ULF waves by spacecraft field data shows that for this event the LFM code reasonably well-reproduces the Bz wave power observed by GOES and THEMIS satellites, while the E? power observed by THEMIS probes are generally underestimated by LFM fields, on average by about a factor of ten.

Tu, Weichao; Elkington, Scot R.; Li, Xinlin; Liu, Wenlong; Bonnell, J.

2012-10-01

165

ULF Power Spectral Densities and Radial Diffusion Coefficients During High-Speed-Stream Storms

NASA Astrophysics Data System (ADS)

Magnetospheric MHD waves in the mHz frequency range can strongly affect radiation belt electrons through radial transport, energization, and loss, and the power spectral density (PSD) of the MHD waves plays an important role in computing radial diffusion coefficients. In this paper power spectral densities are calculated using LFM global MHD simulations and then comparisons are made with measurements of MHD waves using GOES-8 and CRRES satellites. The PSD is also used to estimate radial diffusion coefficients, which are then compared with previous work, including Brautigam and Albert [2000], Fei et al. [2006], Huang et al. [2010], and recently-obtained radial diffusion coefficients from mapping ground-based magnetometer measurements to the equatorial magnetosphere. Finally, radial diffusion codes are run to compare simulated phase-space densities with observational data at GPS locations, for selected high-speed-stream storms. The radial diffusion coefficients show good consistency between LFM runs (simulation) and satellites (observation) when L<7. Based on these results, we seek to understand how to combine electric and magnetic radial diffusion coefficients to provide a more precise description of radial transport in the radiation belts.

Chen, Y.; Chan, A. A.; Elkington, S. R.; Mann, I. R.; Rae, J.; Ozeke, L.

2011-12-01

166

Temperature dependence of diffusion coefficient of nitrogen gas in water: A molecular dynamics study

NASA Astrophysics Data System (ADS)

We have carried out the molecular dynamics (MD) simulation to study the structural properties and to estimate the diffusivity of molecular nitrogen (N2) gas (solute) in extended simple point charge model (SPC/E) water (solvent) with N2 mole fraction of 0.018 at different temperatures. For the structural properties of the system, we have determined radial distribution function (RDF). The solute-solute, solute-solvent and solvent-solvent RDF have been evaluated. Self-diffusion coefficient of N2 was estimated by evaluating mean-squared displacement (MSD) and velocity autocorrelation function (VACF) separately. The diffusion coefficients obtained from the two methods agree within 3%. The results are in agreement with the experimentally determined values within 10%. The self-diffusion coefficient of water (H2O) was also estimated by evaluating MSD. Mutual diffusion coefficient of the system have also been estimated invoking Darken's relation. The temperature dependance of the diffusion coefficients were found to follow Arrhenius relation.

Sharma, Keshav; Adhikari, Narayan P.

2014-04-01

167

Prioritizing and scheduling Portsmouth Gaseous Diffusion Plant safeguards upgrades. Final report

As part of the Site Safeguards and Security Plan (SSSP), facilities are required to develop a Resource Plan (RP). The Resource Plan provides documentation and justification for the facility`s planned upgrades, including the schedule, priority, and cost estimates for the safeguards and security upgrades. Portsmouth Gaseous Diffusion Plant (PORTS) management has identified and obtained funding approval for a number of safeguards and security upgrades, including line-item construction projects. These upgrade projects were selected to address a variety of concerns identified in the PORTS vulnerability assessments and other reviews performed in support of the SSSP process. However, budgeting and scheduling constraints do not make it possible to simultaneously begin implementation of all of the upgrade projects. A formal methodology and analysis are needed to explicitly address the trade-offs between competing safeguards objectives, and to prioritize and schedule the upgrade projects to ensure that the maximum benefit can be realized in the shortest possible time frame. The purpose of this report is to describe the methodology developed to support these upgrade project scheduling decisions. The report also presents the results obtained from applying the methodology to a set of the upgrade projects selected by PORTS S&S management. Data for the analysis are based on discussions with personnel familiar with the PORTS safeguards and security needs, the requirements for implementing these upgrades, and upgrade funding limitations. The analysis results presented here assume continued highly enriched uranium (HEU) operations at PORTS. However, the methodology developed is readily adaptable for the evaluation of other operational scenarios and other resource allocation issues relevant to PORTS.

Edmunds, T.; Saleh, R.; Zevanove, S.

1992-02-01

168

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.

NONE

1995-10-01

169

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.

Becker, D.L.; Green, D.J.; Lindquist, M.R.

1993-07-01

170

Modeling and analyses of postulated UF{sub 6} release accidents in gaseous diffusion plant

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. 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}). 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. In the postulated accident scenario, {approximately}7900 kg (17,500 lb) of hot UF{sub 6} vapor is released over a 5 min period from the process piping into the atmosphere of a large 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. MELCOR model was first used to develop a single volume representation of a process building and its results were compared with those from past lumped parameter models specifically developed for studying UF{sub 6} release accidents. Preliminary results indicate that MELCOR predicted results (using a lumped formulation) are comparable with those from previously developed models.

Kim, S.H.; Taleyarkhan, R.P.; Keith, K.D.; Schmidt, R.W. [Oak Ridge National Lab., TN (United States); Carter, J.C. [J.C. Carter Associates, Inc., Oak Ridge, TN (United States); Dyer, R.H. [Dyer Enterprises, Oak Ridge, TN (United States)

1995-10-01

171

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 ?m. 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. PMID:22244138

Mikuška, Pavel; Ve?e?a, Zbyn?k; Bartošíková, Anna; Maenhaut, Willy

2012-02-10

172

NASA Astrophysics Data System (ADS)

We investigate the interaction of energetic particles with parallel propagating shear Alfvén waves. We use analytical tools as well as test-particle simulations. The analytical derivation of the parallel diffusion coefficient is done by employing quasi-linear theory, a well-known tool in diffusion theory. The perpendicular diffusion coefficient, however, is derived by employing the unifield non-linear transport theory. This is the first time we derive a simple analytical form of the perpendicular mean free path based on the latter theory. We perform the simulations and we show that quasi-linear theory works well for parallel diffusion in Alfvénic slab turbulence as expected. We also show that the unified non-linear transport theory perfectly describes perpendicular diffusion for the turbulence model used here.

Hussein, M.; Shalchi, A.

2014-11-01

173

NASA Astrophysics Data System (ADS)

We report a method for measuring diffusion coefficient D of liquids by using an aplanatic and asymmetric cylinder lens with a liquid core, which is designed as both a diffusion pool and the main imaging element. The precision is better than 10-4 RIU in measuring refractive index. The D values of ethylene glycol (EG) in water are measured for various EG concentrations at 25°C, and Dinf = 1.043 × 10-5 cm2/s under the condition of infinite dilution is obtained. The method is characterized by observing the diffusion process directly, faster measurement and obtaining the D value under the condition of infinite dilution.

Li, Qiang; Pu, Xiao-Yun; Yang, Rui-Fen; Zhai, Ying

2014-05-01

174

Diffusion-weighted imaging (DWI) and apparent diffusion coefficient (ADC) mapping are functional magnetic resonance imaging techniques for detecting water diffusion. DWI and the ADC map were performed for intracranial lesions in two dogs. In necrotizing leukoencephalitis, cavitated lesions contained a hypointense center with a hyperintense periphery on DWI, and hyperintense signals on the ADC maps. In metastatic sarcoma, masses including a necrotic region were hypointense with DWI, and hyperintense on the ADC map with hyperintense perilesional edema on DWI and ADC map. Since DWI and ADC data reflect the altered water diffusion, they can provide additional information at the molecular level. PMID:24675836

Kim, Boeun; Yi, Kangjae; Jung, Sunyoung; Ji, Seoyeon; Choi, Mincheol

2014-01-01

175

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.

Buffie, K.; Shalchi, A. [Department of Physics and Astronomy, University of Manitoba, Winnipeg, Manitoba R3T 2N2 (Canada)] [Department of Physics and Astronomy, University of Manitoba, Winnipeg, Manitoba R3T 2N2 (Canada); Heesen, V., E-mail: shalchi@physics.umanitoba.ca, E-mail: v.heesen@soton.ac.uk [School for Physics and Astronomy, University of Southampton, Southampton SO17 1BJ (United Kingdom)

2013-02-10

176

Radon diffusion coefficients in 360 waterproof materials of different chemical composition.

This paper summarises the results of radon diffusion coefficient measurements in 360 common waterproof materials available throughout Europe. The materials were grouped into 26 categories according to their chemical composition. It was found that the diffusion coefficients of materials used for protecting houses against radon vary within eight orders from 10(-15) to 10(-8) m(2) s(-1). The lowest values were obtained for bitumen membranes with an Al carrier film and for ethylene vinyl acetate membranes. The highest radon diffusion coefficient values were discovered for sodium bentonite membranes, rubber membranes made of ethylene propylene diene monomer and polymer cement coatings. The radon diffusion coefficients for waterproofings widely used for protecting houses, i.e. flexible polyvinyl chloride, high-, low-density polyethylene, polypropylene and bitumen membranes, vary in the range from 3 × 10(-12) to 3 × 10(-11) m(2) s(-1). Tests were performed which confirmed that the radon diffusion coefficient is also an effective tool for verifying the air-tightness of joints. PMID:21450700

Jiránek, M; Kotrbatá, M

2011-05-01

177

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

2014-01-01

178

The chemical resistance of eight organic solvents in high density polyethylene (HDPE) geomembrane has been investigated using the ASTM F739 permeation method and the immersion test at different temperatures. The diffusion of the experimental organic solvents in HDPE geomembrane was non-Fickian kinetic, and the solubility coefficients can be consistent with the solubility parameter theory. The diffusion coefficients and solubility coefficients determined by the ASTM F739 method were significantly correlated to the immersion tests (p<0.001). The steady state permeation rates also showed a good agreement between ASTM F739 and immersion experiments (r(2)=0.973, p<0.001). Using a one-dimensional diffusion equation based on Fick's second law, the diffusion and solubility coefficients obtained by immersion test resulted in over estimates of the ASTM F739 permeation results. The modeling results indicated that the diffusion and solubility coefficients should be obtained using ASTM F739 method which closely simulates the practical application of HDPE as barriers in the field. PMID:17010510

Chao, Keh-Ping; Wang, Ping; Wang, Ya-Ting

2007-04-01

179

Sublimation kinetics and diffusion coefficients of TNT, PETN, and RDX in air by thermogravimetry.

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. PMID:24840410

Hikal, Walid M; Weeks, Brandon L

2014-07-01

180

A first-principles methodology for diffusion coefficients in metals and dilute alloys

NASA Astrophysics Data System (ADS)

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 system with transition metal solutes, in which charges are known to localize around the transition metal element. U parameter is determined from matching the diffusivities of 3d transition metal impurity in aluminum with reliable experimental data. The effort yielded activation energies in systematic agreement with experiments and has proved useful in obtaining insights into the complex interactions in these systems. Besides the prediction of diffusion coefficients, this research has been helpful in understanding the physics underlying diffusion. Within the scope of observations from the systems studied, certain diffusion related aspects that have been clarified are: (i) cause for non-Arrnenius' nature of diffusion plots (ii) definitions of atom migration properties (iii) magnitude and sign of diffusion parameters enthalpy and entropy of formation and migration and characteristic vibrational frequency (iv) trends in diffusivities based on activation energy and diffusion prefactor (vi) cause for anomalous diffusion behavior of 3d transition metals in Al, and their magnetic nature (vii) contributions from electronic contributions to curvature at very high temperatures of bcc refractory elements (viii) temperature dependence of impurity diffusion correlation factors. Finally, the double-well potential of diffusion by vacancy mechanism has been calculated from first-principles. This aided calculation of entropy of migration and thus free energy of migration along with characteristic vibrational frequency. Also for the first time, temperature dependence of enthalpy of migration and thus atom jump frequency has been accurately predicted. From the broad perspective of predicting diffusion coefficients from computational methodologies, it can be stated as a result of this work that: static first-principles extend an irreplaceable contribution to the future of diffusion modeling. The procedure obviated the use of (i) redundant approximations that limit its accuracy and (ii) support from other computational techniques that restrict its extensibility due to insufficient i

Mantina, Manjeera

181

NASA Astrophysics Data System (ADS)

In this paper, the estimation of the thermal diffusivity from perturbative experiments in fusion plasmas is discussed. The measurements used to estimate the thermal diffusivity suffer from stochastic noise. Accurate estimation of the thermal diffusivity should take this into account. It will be shown that formulas found in the literature often result in a thermal diffusivity that has a bias (a difference between the estimated value and the actual value that remains even if more measurements are added) or have an unnecessarily large uncertainty. This will be shown by modeling a plasma using only diffusion as heat transport mechanism and measurement noise based on ASDEX Upgrade measurements. The Fourier coefficients of a temperature perturbation will exhibit noise from the circular complex normal distribution (CCND). Based on Fourier coefficients distributed according to a CCND, it is shown that the resulting probability density function of the thermal diffusivity is an inverse non-central chi-squared distribution. The thermal diffusivity that is found by sampling this distribution will always be biased, and averaging of multiple estimated diffusivities will not necessarily improve the estimation. Confidence bounds are constructed to illustrate the uncertainty in the diffusivity using several formulas that are equivalent in the noiseless case. Finally, a different method of averaging, that reduces the uncertainty significantly, is suggested. The methodology is also extended to the case where damping is included, and it is explained how to include the cylindrical geometry.

van Berkel, M.; Zwart, H. J.; Hogeweij, G. M. D.; Vandersteen, G.; van den Brand, H.; de Baar, M. R.; the ASDEX Upgrade Team

2014-10-01

182

NASA Astrophysics Data System (ADS)

Diffusion along interface and grain boundaries provides an efficient pathway and may control chemical transport in rocks as well as their mechanical strength. Besides the significant relevance of these diffusion processes for various geologic processes, experimental data are still very limited (e.g., Dohmen & Milke, 2010). Most of these data were measured using polycrystalline materials and the formalism of LeClaire (1951) to fit integrated concentration depth profiles. To correctly apply this formalism, certain boundary conditions of the diffusion problem need to be fulfilled, e.g., surface diffusion is ignored, and furthermore the lattice diffusion coefficient has to be known from other studies or is an additional fitting parameter, which produces some ambiguity in the derived grain boundary diffusion coefficients. We developed an experimental setup where we can measure the lattice and grain boundary diffusion coefficients simultaneously but independent and demonstrate the relevance of surface diffusion for typical grain boundary diffusion experiments. We performed Mg2SiO4 bicrystal diffusion experiments, where a single grain boundary is covered by a thin-film of pure Ni2SiO4 acting as diffusant source, produced by pulsed laser deposition. The investigated grain boundary is a 60° (011)/[100]. This specific grain boundary configuration was modeled using molecular dynamics for comparison with the experimental observations in the transmission electron microscope (TEM). Both, experiment and model are in good agreement regarding the misorientation, whereas there are still some disagreements regarding the strain fields along the grain boundary that are of outmost importance for the strengths of the material. The subsequent diffusion experiments were carried out in the temperature range between 800° and 1450° C. The inter diffusion profiles were measured using the TEMs energy dispersive x-ray spectrometer standardized using the Cliff-Lorimer equation and EMPA measurements. To evaluate the obtained diffusion profiles we adapted the isolated grain boundary model, first proposed by Fisher (1951) to match several observations: (i) Anisotropic diffusion in forsterite, (ii) fast diffusion along the grain boundary, (iii) fast diffusion on the surface of the sample. The latter process is needed to explain an additional flux of material from the surface into the grain boundary. Surface and grain boundary diffusion coefficients are on the order of 10000 times faster than diffusion in the lattice. Another observation was that in some regions the diffusion profiles in the lattice were greatly extended. TEM observations suggest here that surface defects (nano-cracks, ect.) have been present, which apparently enhanced the diffusion through the bulk lattice. Dohmen, R., & Milke, R. (2010). Diffusion in Polycrystalline Materials: Grain Boundaries, Mathematical Models, and Experimental Data. Reviews in Mineralogy and Geochemistry, 72(1), 921-970. Fisher, J. C. (1951). Calculations of Diffusion Penetration Curves for Surface and Grain Boundary Diffusion. Journal of Applied Physics, 22(1), 74-77. Le Claire, A. D. (1951). Grain boundary diffusion in metals. Philosophical Magazine A, 42(328), 468-474.

Marquardt, Katharina; Dohmen, Ralf; Wagner, Johannes

2014-05-01

183

Regulation of Nuclear NF-?B Oscillation by a Diffusion Coefficient and Its Biological Implications

The transcription factor NF-?B shuttles between the cytoplasm and the nucleus, and nuclear NF-?B is known to oscillate with a cycle of 1.5-2.5 h following the application of external stimuli. Oscillation pattern of NF-?B is implicated in regulation of the gene expression profile. In a previous report, we found that the oscillation pattern of nuclear NF-?B in a computational 3D spherical cell was regulated by spatial parameters such as nuclear to cytoplasmic volume ratio, nuclear transport, locus of protein synthesis, and diffusion coefficient. Here we report analyses and a biological implication for the regulation of oscillation pattern by diffusion coefficient. Our analyses show that the “reset” of nuclear NF-?B, defined as the return of nuclear NF-?B to the initial level or lower, was crucial for the oscillation; this was confirmed by the flux analysis. In addition, we found that the distant cytoplasmic location from the nucleus acted as a “reservoir” for storing newly synthesized I?B?. When the diffusion coefficient of proteins was large (?10?11 m2/s), a larger amount of I?B? was stored in the “reservoir” with a large flux by diffusion. Subsequently, stored I?B? diffused back to the nucleus, where nuclear NF-?B was “reset” to the initial state. This initiated the next oscillation cycle. When the diffusion coefficient was small (?10?13 m2/s), oscillation of nuclear NF-?B was not observed because a smaller amount of I?B? was stored in the “reservoir” and there was incomplete “reset” of nuclear NF-?B. If the diffusion coefficient for I?B? was increased to 10?11 m2/s keeping other proteins at 10?13 m2/s, the oscillation was rescued confirming the “reset” and “reservoir” hypothesis. Finally, we showed altered effective value of diffusion coefficient by diffusion obstacles. Thus, organelle crowding seen in stressed cells possibly changes the oscillation pattern by controlling the effective diffusion coefficient. PMID:25302804

Ohshima, Daisuke; Ichikawa, Kazuhisa

2014-01-01

184

Regulation of Nuclear NF-?B Oscillation by a Diffusion Coefficient and Its Biological Implications.

The transcription factor NF-?B shuttles between the cytoplasm and the nucleus, and nuclear NF-?B is known to oscillate with a cycle of 1.5-2.5 h following the application of external stimuli. Oscillation pattern of NF-?B is implicated in regulation of the gene expression profile. In a previous report, we found that the oscillation pattern of nuclear NF-?B in a computational 3D spherical cell was regulated by spatial parameters such as nuclear to cytoplasmic volume ratio, nuclear transport, locus of protein synthesis, and diffusion coefficient. Here we report analyses and a biological implication for the regulation of oscillation pattern by diffusion coefficient. Our analyses show that the "reset" of nuclear NF-?B, defined as the return of nuclear NF-?B to the initial level or lower, was crucial for the oscillation; this was confirmed by the flux analysis. In addition, we found that the distant cytoplasmic location from the nucleus acted as a "reservoir" for storing newly synthesized I?B?. When the diffusion coefficient of proteins was large (?10-11 m2/s), a larger amount of I?B? was stored in the "reservoir" with a large flux by diffusion. Subsequently, stored I?B? diffused back to the nucleus, where nuclear NF-?B was "reset" to the initial state. This initiated the next oscillation cycle. When the diffusion coefficient was small (?10-13 m2/s), oscillation of nuclear NF-?B was not observed because a smaller amount of I?B? was stored in the "reservoir" and there was incomplete "reset" of nuclear NF-?B. If the diffusion coefficient for I?B? was increased to 10-11 m2/s keeping other proteins at 10-13 m2/s, the oscillation was rescued confirming the "reset" and "reservoir" hypothesis. Finally, we showed altered effective value of diffusion coefficient by diffusion obstacles. Thus, organelle crowding seen in stressed cells possibly changes the oscillation pattern by controlling the effective diffusion coefficient. PMID:25302804

Ohshima, Daisuke; Ichikawa, Kazuhisa

2014-01-01

185

The nontrivial dependence of the asymptotic diffusion on noise intensity has been studied for a Hamiltonian flow mimicking the Gulf Jet Stream. Three different diffusion regimes have been observed depending on the noise intensity. For intermediate noise the asymptotic diffusion decreases with noise intensity at a rate which is linearly dependent to the flow's meander amplitude. Increasing the noise the fluid transport passes through a superdiffusive regime and finally becomes diffusive again at large noise intensities. The presence of inner circulation regimes in the flow has been found to be determinant to explain the observed behavior. PMID:22400707

von Kameke, A; Huhn, F; Pérez-Muñuzuri, V

2012-01-01

186

Crack diffusion coefficient - A candidate fracture toughness parameter for short fiber composites

NASA Technical Reports Server (NTRS)

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.

Mull, M. A.; Chudnovsky, A.; Moet, A.

1987-01-01

187

Diffusion coefficient of CO(2) molecules as determined by (13)C NMR in various carbonated beverages.

In this paper, the NMR technique was used, for the first time, to accurately determine the diffusion coefficient D of CO(2)-dissolved molecules in various carbonated beverages, including champagne and sparkling wines. This parameter plays an important role concerning the bubble growth during its rise through the liquid (see ref 3). The diffusion coefficient of CO(2)-dissolved molecules D was compared with that deduced from the well-known Stokes-Einstein equation and found to significantly deviate from the general trend expected from Stokes-Einstein theory, i.e, D(SE) proportional, variant 1/eta, where D(SE) is the Stokes-Einstein diffusion coefficient and eta the viscosity of the liquid medium. PMID:14664507

Liger-Belair, Gerard; Prost, Elise; Parmentier, Maryline; Jeandet, Philippe; Nuzillard, Jean-Marc

2003-12-17

188

Effective molecular diffusion coefficient in a two-phase gel medium

NASA Astrophysics Data System (ADS)

We derive a mean-field expression for the effective diffusion coefficient of a probe molecule in a two-phase medium consisting of a hydrogel with large gel-free solvent inclusions, in terms of the homogeneous diffusion coefficients in the gel and in the solvent. Upon comparing with exact numerical lattice calculations, we find that our expression provides a remarkably accurate prediction for the effective diffusion coefficient, over a wide range of gel concentration and relative volume fraction of the two phases. Moreover, we extend our model to handle spatial variations of viscosity, thereby allowing us to treat cases where the solvent viscosity itself is inhomogeneous. This work provides robust grounds for the modeling and design of multiphase systems for specific applications, e.g., hydrogels as novel food agents or efficient drug-delivery platforms.

Hickey, Owen A.; Mercier, Jean-François; Gauthier, Michel G.; Tessier, Frédéric; Bekhechi, Smaine; Slater, Gary W.

2006-05-01

189

The Diffusion Coefficient of Scandium in Dilute Aluminum-Scandium Alloys

NASA Astrophysics Data System (ADS)

The diffusion coefficient of Sc in dilute Al-Sc alloys has been determined at 748 K, 823 K, and 898 K (475 °C, 550 °C, and 625 °C, respectively) using semi-infinite diffusion couples. Good agreement was found between the results of the present study and both the higher temperature, direct measurements and lower temperature, indirect measurements of these coefficients reported previously in the literature. The temperature-dependent diffusion coefficient equation derived from the data obtained in the present investigation was found to be Combining these results with data from the literature and fitting all data simultaneously to an Arrhenius relationship yielded the expression In each equation given above, R is 0.0083144 kJ/mol K, T is in Kelvin, and the uncertainties are ±1 standard error.

Kerkove, Marcel A.; Wood, Thomas D.; Sanders, Paul G.; Kampe, Stephen L.; Swenson, Douglas

2014-08-01

190

Rigorous Results on Surface Diffusion Coefficients Near a First-Order Phase Transition

NASA Astrophysics Data System (ADS)

We present a microscopic statistical-mechanical approach from which the chemical surface diffusion coefficient can be obtained in the local equilibrium limit, assuming that the system of a finite size undergoes a first-order phase transition between two phases. We also show the behavior of the jump diffusion coefficient and thermodynamic factor near such a transition. Explicit formulas for the dependences of these quantities on the chemical potential, coverage, and size of the system are presented. The general results are applied to a simple two-dimensional lattice model on a regular triangular lattice.

Medved', Igor; Avsec, Jurij; Ková?, Jozef; Trník, Anton

2014-10-01

191

Stochastic and deterministic simulations of dispersion in cylindrical channels on the Poiseuille flow have been presented. The random walk (stochastic) and the uniform dispersion (deterministic) models have been used for computations of flow injection analysis responses. These methods coupled with the genetic algorithm and the Levenberg-Marquardt optimization methods, respectively, have been applied for determination of diffusion coefficients. The diffusion coefficients of fluorescein sodium, potassium hexacyanoferrate and potassium dichromate have been determined by means of the presented methods and FIA responses that are available in literature. The best-fit results agree with each other and with experimental data thus validating both presented approaches. PMID:23845484

Kucza, Witold

2013-07-25

192

Density scaling of the diffusion coefficient at various pressures in viscous liquids

Fundamental thermodynamics and an earlier elastic solid-state point defect model [P. Varotsos and K. Alexopoulos, Phys. Rev B 15, 4111 (1977); 18, 2683 (1978)] are employed to formulate an analytical second-order polynomial function describing the density scaling of the diffusion coefficient in viscous liquids. The function parameters are merely determined by the scaling exponent, which is directly connected with the Gruneisen constant. Density scaling diffusion coefficient isotherms obtained at different pressures collapse on a unique master curve, in agreement with recent computer simulation results of Lennard-Jones viscous liquids, [D. Coslovich and C.M. Roland, J. Phys. Chem. B 112, 1329 (2008)].

A. N. Papathanassiou

2009-03-06

193

Deposition and dissolution processes involved in copper electrorefining are significantly affected by the diffusion coefficient of copper within an electrolyte. It is believed that the diffusion coefficient of cupric ions under conditions similar to those encountered in commercial electrolytes is not precisely known. The effects of copper, acid, and temperature on copper diffusivity were measured for simulated industrial electrolytes. Copper

Michael S Moats; J. Brent Hiskey; Dale W Collins

2000-01-01

194

Differential diffusion coefficients of sodium dodecylsulfate (SDS) in aqueous solutions of sucrose and in aqueous solutions at 298.15 K, over the concentration range 0.0018 M to 0.0817 M, have been measured using a conductimetric cell and an automatic apparatus to follow the diffusion. The results are discussed on the basis of the Onsager-Fuoss model. The cell uses an open ended

Ana C. F. Ribeiro; Victor M. M. Lobo; Eduarda F. G. Azevedo; M. da G. Miguel; H. D. Burrows

2001-01-01

195

Pc 5 Spectral Density at ULTIMA stataions and its Radial Diffusion Coefficients for REE

NASA Astrophysics Data System (ADS)

Pc 5 magnetic pulsations with frequencies between 1.67 and 6.67 mHz, are believed to contribute to the Relativistic Electron Enhancement (REE) in the outer radiation belt during magnetic storms. Ground-based observations suggested that high-speed solar wind and large-amplitude Pc 5 waves with a long duration during the storm recovery phase are closely associated with the production of relativistic electrons [Baker et al., 1998; Rostoker et al., 1998; Mathie and Mann, 2000; O’Brien et al., 2001, 2003]. On the other hand, many relativistic electron acceleration mechanisms have been proposed theoretically. They are separated roughly into two themes: in situ acceleration at L lower than 6.6 by wave particle interactions (as internal source acceleration mechanisms) [Liu et al., 1999; Summers et al., 1999; Summers and Ma, 2000] and acceleration by radial diffusion to transport and accelerate a source population of electrons from the outer to the inner magnetosphere (as external source acceleration mechanisms) [Elkington et al., 1999, 2003; Hudson et al., 2000; Kim et al., 2001]. One possible external source acceleration mechanism is the resonant interaction with ULF toroidal and poloidal waves. In order to verify which of the two mechanisms is more effective for the REE, we have to examine the time variation of electron phase space density. Electron phase space density is not directly measured, but we can estimate radial diffusion coefficients using observational electric and magnetic data. The goal of this paper is to get more reliable radial diffusion coefficient from ground-based observational magnetic field and to show reasonability of it for radial diffusion model. We use the global magnetometer data obtained from ULTIMA (Ultra Large Terrestrial International Magnetic Array, see http://www.serc.kyushu-u.ac.jp/ultima/ultima.html) stations, to precisely define the radial diffusion timescales. The ULTIMA includes McMAC, CARISAM, 210MM and MAGDAS/CPMN magnetometer arrays. The radial diffusion coefficient can be given from the magnetic field power spectral density as a function of L, frequency (f) and m-number (m) in the Pc 5 frequency range during the REE related magnetic storms [see Brautigam et al., 2005]. We can fit Pc 5 power spectral density (L, f, m) using the ULTIMA data. The m-number of global Pc 5 pulsation on the ground is found to be almost less than 5. This is consistent with m-number required in the radial diffusion theory by Elkington et al. [1999, 2003]. We will compare the observationally estimated diffusion coefficient with theoretical diffusion coefficient [e.g. Elkington et al., 2006], and discuss adequacy of our diffusion coefficient.

Fujimoto, A.; Tokunaga, T.; Abe, S.; Uozumi, T.; Yoshikawa, A.; Mann, I. R.; Chi, P. J.; Engebretson, M. J.; Yumoto, K.

2009-12-01

196

NASA Astrophysics Data System (ADS)

In this paper, the diffusivity in suspended monolayer graphene at low and high electric fields is investigated. The knowledge of this quantity and its dependence on the electric field is of primary importance not only for the investigation of the electronic transport properties of this material but also for the development of accurate drift-diffusion models. The results have been obtained by means of an ensemble Monte Carlo simulation. For the calculation of the diffusion coefficient, two different methods are considered, one based on the second central moment and the other one based on the Fourier analysis of velocity fluctuations, which are directly related to the noise behaviour at high frequencies. The diffusion coefficient is analyzed considering both parallel and transversal directions with regard to the applied field. Taking into account the importance of degeneracy in this material, the calculations are properly performed by considering an excess electron population obeying a linearized Boltzmann transport equation, which allows studying in an adequate fashion the diffusivity phenomena. The results show the importance of degeneracy effects at very low fields in which transport is mainly dominated by acoustic phonon scattering. Values of the diffusion coefficient larger than 40 000 cm2/Vs are obtained for a carrier concentration equal to 1012 cm-2. The correlation function of instantaneous velocity fluctuation is explained in terms of the wavevector distribution, and their power spectral density is evaluated in the THz range, showing an important dependence on the applied field and being strongly related to microscopic transport processes.

Rengel, R.; Martín, M. J.

2013-10-01

197

This decision document presents the remedial action for the Solid Waste Management Unit (SWMU) 91 of the Waste Area Group (WAG) 27 at the Paducah Gaseous Diffusion Plant (PGDP) near Paducah, Kentucky. The primary objective of this remedial action is to reduce the level of TCE-contaminated soil thereby reducing the potential future concentrations in ground water that could pose a threat to human health and the environment at the POE (i.e., the DOE property boundary). The potential for migration of the contamination from the soil of the off-site aquifer is the concern associated with the SWMU.

NONE

1998-12-01

198

Measurement and modeling of CO2 diffusion coefficient in Saline Aquifer at reservoir conditions

NASA Astrophysics Data System (ADS)

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.

Azin, Reza; Mahmoudy, Mohamad; Raad, Seyed Mostafa Jafari; Osfouri, Shahriar

2013-12-01

199

Diffusion Coefficients from Molecular Dynamics Simulations in Binary and Ternary Mixtures

NASA Astrophysics Data System (ADS)

Multicomponent diffusion in liquids is ubiquitous in (bio)chemical processes. It has gained considerable and increasing interest as it is often the rate limiting step in a process. In this paper, we review methods for calculating diffusion coefficients from molecular simulation and predictive engineering models. The main achievements of our research during the past years can be summarized as follows: (1) we introduced a consistent method for computing Fick diffusion coefficients using equilibrium molecular dynamics simulations; (2) we developed a multicomponent Darken equation for the description of the concentration dependence of Maxwell-Stefan diffusivities. In the case of infinite dilution, the multicomponent Darken equation provides an expression for [InlineEquation not available: see fulltext.] which can be used to parametrize the generalized Vignes equation; and (3) a predictive model for self-diffusivities was proposed for the parametrization of the multicomponent Darken equation. This equation accurately describes the concentration dependence of self-diffusivities in weakly associating systems. With these methods, a sound framework for the prediction of mutual diffusion in liquids is achieved.

Liu, Xin; Schnell, Sondre K.; Simon, Jean-Marc; Krüger, Peter; Bedeaux, Dick; Kjelstrup, Signe; Bardow, André; Vlugt, Thijs J. H.

2013-07-01

200

NASA Astrophysics Data System (ADS)

This article is a review of empirical and calculated data on density, viscosity, and diffusion coefficients in hypereutectic Al-Si liquid alloys. Many regressions of the data were effected in order to consolidate the data as functions, which can be used to calculate each property as a function of temperature and concentration of Si. The chemical diffusion coefficient in the alloys was derived based on the Sutherland model, which relates the diffusion coefficient to viscosity.

Poirier, David R.

2014-08-01

201

Water diffusion coefficients during copper electropolishing and IAN IVAR SUNI2*

associated with each dissolving Cu ion and on the effective diffusion coefficient of water. Transient state behavior are the same, about one water molecule is associated with each dissolving Cu ion is also consistent with an assumption that six water molecules are associated with each dissolving Cu ion

Suni, Ian Ivar

202

form 16 October 2012 Accepted 4 December 2012 Available online xxxx Keywords: Ocean color Remote sensing MODIS SeaWiFS Bio-optical algorithm Diffuse attenuation coefficient Euphotic depth Optical data 2010 were used to evaluate products derived with three bio-optical inversion algorithms applied

Meyers, Steven D.

203

Diffusion coefficient of a passive contaminant in a local MHD model of a turbulent accretion disc

We calculate the radial diffusion coefficient for a passive contaminant in an accretion disc which is turbulent due to the action of the magnetorotational instability. Numerical magnetohydrodynamic (MHD) simulations are used to follow the evolution of a local patch of the disc using the shearing box formalism. A separate continuity equation for the mass fraction of contaminant is integrated along

Augusto Carballido; James M. Stone; James E. Pringle

2005-01-01

204

Self-Diffusion Coefficients of Methane or Ethane Mixtures with Hydrocarbons at High Pressure by NMR

Self-Diffusion Coefficients of Methane or Ethane Mixtures with Hydrocarbons at High Pressure by NMR in homogeneous mixtures of methane + hexane, ethane + hexane, methane + octane, ethane + octan, methane + decane, ethane + decane, and methane + hexane + benzene over the whole concentration range, at 303.2 K and 333

Dysthe, Dag Kristian

205

An approximate formula for the diffusion coefficient for the periodic Lorentz gas

NASA Astrophysics Data System (ADS)

An approximate stochastic model for the topological dynamics of the periodic triangular Lorentz gas is constructed. The model, together with an extremum principle, is used to find a closed form approximation to the diffusion coefficient as a function of the lattice spacing. This approximation is superior to the popular Machta and Zwanzig result and agrees well with a range of numerical estimates.

Angstmann, C.; Morriss, G. P.

2012-05-01

206

About Fokker-Planck equation with measurable coefficients: application to the fast diffusion-dimensional Fokker-Planck type equation with non-homogeneous (possibly degenerated) measurable not necessarily with m (0, 1). Together with the mentioned Fokker-Planck equation, we make use of small time density

Paris-Sud XI, UniversitÃ© de

207

The Friction and Diffusion Coefficients of the Fokker-Planck Equation in a Plasma

In a recent paper (Thompson & Hubbard 1960) it was shown how the diffusion coefficients of the Fokker-Planck equation could be calculated in the case of a plasma in thermal equilibrium by a method which included automatically correlation effects and avoided the use of a cut-off procedure. In this paper the method is extended to plasmas not in thermal equilibrium

J. Hubbard

1961-01-01

208

Relaxation Time Constants and Apparent Diffusion Coefficients of Rat Retina at 7 Tesla

Relaxation Time Constants and Apparent Diffusion Coefficients of Rat Retina at 7 Tesla Govind Nair* and ADC of the rat eyes were measured at 50 3 50 3 800 lm at 7 Tesla. Profiles of T1, T2, T2* and ADC

Duong, Timothy Q.

209

Expression of optical diffusion coefficient in high-absorption turbid media

NASA Astrophysics Data System (ADS)

The optical diffusion coefficient in a homogeneous turbid medium with high absorption was determined by steady-state measurements of the light transmission under the infinite-boundary condition. The intensity of the transmission was well described by the solution of the optical diffusion equation. Moreover, the optical diffusion coefficient D was given by a constant, , where is the reduced scattering coefficient, up to the absorption coefficient of about . These results mean that attenuation by absorption only contributes to exponential attenuation along the optical path defined by the scattering coefficient and geometry of the system even in high-absorption turbid media such as the pathological living tissues of bleeding or haematoma.

Nakai, T.; Nishimura, G.; Yamamoto, K.; Tamura, M.

1997-12-01

210

Diffusion coefficient of krypton atoms in helium gas at low and moderate temperatures

NASA Astrophysics Data System (ADS)

In the present work, using the Chapman-Enskog method for dilute gases, the diffusion coefficients of ground krypton atoms in a very weakly ionized helium buffer gas are revisited. The calculations are carried out quantum mechanically in the range of low and moderate temperatures. The 1 ?+ potential-energy curve via which Kr approaches He is constructed from the most recent ab initio energy points. The reliable data points used in the construction are smoothly connected to adequate long- and short-range forms. The calculations of the classical second virial coefficients and the Boyle temperature of the helium-krypton mixture are also discussed. These coefficients and their variations in terms of temperature are analysed by adopting the constructed HeKr potential and the Lennard-Jones form that fits it. The diffusion and elastic cross sections are also explored and the resonance features they exhibit are closely examined. The variation law of the diffusion coefficients with temperature is determined for typical values of density and pressure. The coefficients show excellent agreement with the available experimental data; the discrepancies do not exceed 5%.

Bouazza, M. T.; Bouledroua, M.

211

The effects of deionization processes on meteor radar diffusion coefficients below 90 km

NASA Astrophysics Data System (ADS)

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.

Younger, J. P.; Lee, C. S.; Reid, I. M.; Vincent, R. A.; Kim, Y. H.; Murphy, D. J.

2014-08-01

212

NASA Astrophysics Data System (ADS)

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.

Perko, Janez; Patel, Ravi A.

2014-05-01

213

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.

Belova, Irina [University of Newcastle, NSW, Australia; Kulkarni, Nagraj S [ORNL; Sohn, Yong Ho [University of Central Florida; Murch, Prof. Graeme [University of Newcastle, NSW, Australia

2013-01-01

214

Mercury is a priority pollutant as its mobility between the hydrosphere and the atmosphere threatens the biosphere globally. The air-water gas transfer of elemental mercury (Hg0) is controlled by its diffusion through the water-side boundary layer and thus by its diffusion coefficient, D(Hg), the value of which, however, has not been established. Here, the diffusion of Hg0 in water was modeled by molecular dynamics (MD) simulation and the diffusion coefficient subsequently determined. Therefore the movement of either Hg(0) or xenon and 1000 model water molecules (TIP4P-Ew) were traced for time spans of 50 ns. The modeled D(Xe) of the monatomic noble gas agreed well with measured data; thus, MD simulation was assumed to be a reliable approach to determine D(Hg) for monatomic Hg(0) as well. Accordingly, Hg(0) diffusion was then simulated for freshwater and seawater, and the data were well-described by the equation of Eyring. The activation energies for the diffusion of Hg0 in freshwater was 17.0 kJ mol(-1) and in seawater 17.8 kJ mol(-1). The newly determined D(Hg) is clearly lower than the one previously used for an oceanic mercury budget. Thus, its incorporation into the model should lead to lower estimates of global ocean mercury emissions. PMID:19534132

Kuss, Joachim; Holzmann, Jörg; Ludwig, Ralf

2009-05-01

215

Estimating diffusion coefficients in low-permeability porous media using a macropore column

Diffusion coefficients in an aquitard material were measured by conducting miscible solute transport experiments through a specially constructed macropore column. Stainless steel HPLC columns were prepared in a manner that created an annular region of repacked aquitard material and a central core of medium-grained quartz sand. The column transport approach minimizes volatilization and sorption losses that can be problematic when measuring hydrophobic organic chemical diffusion with diffusion-cell methods or column-sectioning techniques. In the transport experiments, solutes (triated water, 1,2,4-trichlorobenzene, and tetrachloroethene) were transported through the central core by convection and hydrodynamic dispersion and through the low-permeability annulus by radial diffusion. All transport parameters were independently measured except for the effective diffusion coefficient in the aquitard material, which was obtained by model fitting. Batch-determined retardation factors agreed very closely with moment-derived retardation factors determined from the column experiments, and no evidence of pore exclusion was found. A model with retarded diffusion was found to apply, and the effective tortuosity factor of the aquitard material was estimated at an average value of 5.1.

Young, D.F.; Ball, W.P. [Johns Hopkins Univ., Baltimore, MD (United States). Dept. of Geography and Environmental Engineering] [Johns Hopkins Univ., Baltimore, MD (United States). Dept. of Geography and Environmental Engineering

1998-09-01

216

Substrate concentration influences effective radial diffusion coefficient in canine cortical bone.

Transport of nutrients and waste across osseous tissue is dependent on the dynamic micro and macrostructure of the tissue; however little quantitative data exists examining how this transport occurs across the entire tissue. Here we investigate in vitro radial diffusion across a section of canine tissue, at dimensions of several hundred microns to millimeters, specifically between several osteons connected through a porous microstructure of Volkmann's canals and canaliculi. The effective diffusion coefficient is measured by a "sample immersion" technique presented here, in which the tissue sample was immersed in solution for 18-30 h, image analysis software was used to quantify the solute concentration profile in the tissue, and the data were fit to a mathematical model of diffusion in the tissue. Measurements of the effective diffusivity of sodium fluorescein using this technique were confirmed using a standard two-chamber diffusion system. As the solute concentration increased, the effective diffusivity decreased, ranging from 1.6 × 10(-7) ± 3.2 × 10(-8) cm(2)/s at 0.3 ?M to 1.4 × 10(-8) ± 1.9 × 10(-9) cm(2)/s at 300 ?M. The results show that there is no significant difference in mean diffusivity obtained using the two measurement techniques on the same sample, 3.3 × 10(-8) ± 3.3 × 10(-9) cm(2)/s (sample immersion), compared to 4.4 × 10(-8) ± 1.1 × 10(-8) cm(2)/s (diffusion chamber). PMID:25234132

Farrell, Kurt; O'Conor, Daniel; Gonzalez, Mariela; Androjna, Caroline; Midura, Ronald J; Tewari, Surendra N; Belovich, Joanne

2014-12-01

217

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. PMID:11288572

Kozai, N; Inada, K; Kozaki, T; Sato, S; Ohashi, H; Banba, T

2001-02-01

218

Effect of chain flexibility on master curve behavior for diffusion coefficient

NASA Astrophysics Data System (ADS)

The diffusion coefficients of simple chain models are analyzed as a function of packing fraction, ?, and as a function of a parameter C that is the density raised to a power divided by temperature to look at scalar metrics to find master curves. The central feature in the analysis is the mapping onto an effective hard site diameter, d. For the molecular models lacking restrictions on dihedral angle (e.g., freely jointed), simple mappings of molecular potential to d work very well, and the reduced diffusion coefficient, D*, collapses into a single-valued function of ?. Although this does not work for the dihedral angle restriction case, assuming that d is inversely proportional to temperature to a power results in collapse behavior for an empirically selected value of the power. This is equivalent to D* being a single-valued function of C. The diffusion coefficient of a single-site penetrant in the chain systems also is found to be a scalar metric that can reduce the chain diffusion data for a given system to a single master curve.

Budzien, Joanne; Heffernan, Julieanne V.; McCoy, John D.

2013-12-01

219

Diffusion coefficient of a passive contaminant in a local MHD model of a turbulent accretion disc

We calculate the radial diffusion coefficient for a passive contaminant in an accretion disc which is turbulent due to the action of the magnetorotational instability. Numerical MHD simulations are used to follow the evolution of a local patch of the disc using the shearing box formalism. A separate continuity equation for the mass fraction of contaminant is integrated along with the MHD system, and radial profiles of this fraction are obtained as a function of time. Solutions of a linear diffusion equation are fitted to the numerical measured profiles of the contaminant, treating the diffusion coefficient D as the fitting parameter. At early times, the value of D is found to vary, however once the contaminant is spread over scales comparable to the box size, it saturates at a steady value. The ratio of D to the transport coefficient of angular momentum due to shear stress is small. If D can be used as a proxy for the turbulent magnetic diffusivity, the effective magnetic Prandtl number P_eff=\

Augusto Carballido; James M. Stone; James E. Pringle

2005-01-21

220

This paper reports results from the first biological crystal-growth experiment on the International Space Station (ISS). Crystals of thaumatin were grown using liquid-liquid diffusion in Tygon tubing transported in the Enhanced Gaseous Nitrogen Dewar (EGN). Different volume ratios and concentrations of protein and precipitant were used to test different adaptations of the vapor-diffusion crystallization recipe to the liquid-liquid diffusion method. The EGN warmed up from 77 to 273 K in about 4 d, about the same time it took to warm from 273 to 293 K. The temperature within the EGN was 293-297 K for the majority of the experiment. Air gaps that blocked liquid-liquid diffusion formed in the tubes. Nonetheless, crystals were grown. Synchrotron diffraction data collected from the best space-grown crystal extended to 1.28 A, comparable to previous studies of space-grown thaumatin crystals. The resolution of the best ground-control crystal was only 1.47 A. It is not clear if the difference in diffraction limit arises from factors other than crystal size. Improvements in temperature control and the elimination of air gaps are needed, but the results show that the EGN on the ISS can be used to produce space-grown crystals that diffract to high resolution. PMID:11976485

Barnes, Cindy L; Snell, Edward H; Kundrot, Craig E

2002-05-01

221

This paper presents a diffusion experimental study for ternary lysozyme-Na$_2$SO$_4$-water system, from moderate precipitant concentrations into the supersaturated region and provides a complete set of four diffusion coefficients. These data are important in order to provide accurate models of protein diffusion with applications in growth of protein crystals for X-ray diffraction studies. All three-component mutual-diffusion experiments reported here were performed by Rayleigh interferometry at pH$=4.5$, T$=25^o$ C and at a mean lysozyme concentration (average of top and bottom solution concentrations) of 0.6 mM (8.6 mg/mL). Four experiments, with different combinations of protein and Na$_2$SO$_4$ concentration differences, were performed at each of five mean Na$_2$SO$_4$ concentrations (0.1, 0.25, 0.5, 0.65 and 0.8 M), for a total of 20 experiments. In addition, we have measured dynamic light-scattering diffusion coefficients of the ternary system lysozyme chloride-Na$_2$SO$_4$-water.

Buzatu, D; Buzatu, F D; Albright, J G

2004-01-01

222

A Monte Carlo model for determination of binary diffusion coefficients in gases

A Monte Carlo method has been developed for the calculation of binary diffusion coefficients in gas mixtures. The method is based on the stochastic solution of the linear Boltzmann equation obtained for the transport of one component in a thermal bath of the second one. Anisotropic scattering is included by calculating the classical deflection angle in binary collisions under isotropic potential. Model results are compared to accurate solutions of the Chapman-Enskog equation in the first and higher orders. We have selected two different cases, H{sub 2} in H{sub 2} and O in O{sub 2}, assuming rigid spheres or using a model phenomenological potential. Diffusion coefficients, calculated in the proposed approach, are found in close agreement with Chapman-Enskog results in all the cases considered, the deviations being reduced using higher order approximations.

Panarese, A. [Department Physics, University of Bari, Bari (Italy); Bruno, D.; Colonna, G. [CNR IMIP Bari (Italy); Diomede, P. [Department Chemistry, University of Bari, Bari (Italy); Laricchiuta, A. [CNR IMIP Bari (Italy); Longo, S., E-mail: savino.longo@ba.imip.cnr.i [Department Chemistry, University of Bari, Bari (Italy); CNR IMIP Bari (Italy); Capitelli, M. [Department Chemistry, University of Bari, Bari (Italy); CNR IMIP Bari (Italy)

2011-06-20

223

New technique for the determination of radon diffusion coefficient in radon-proof membranes.

This paper describes a new device and a method to determine the radon diffusion coefficient in damp-proof membranes developed in the Czech Republic. The main advantage of the device is that it enables tests to be carried out in all the known measuring modes used throughout Europe. Two recently developed computer programs are presented for the numerical modelling of the time-dependent radon transport through damp-proof membranes. According to this method, the radon diffusion coefficient is derived from the process of fitting the numerical solution to the measured curve of radon concentration in a receiver container. Numerical simulation and measured data are also compared. Reasons for disagreements between different methods and specific configurations of the measuring device are also discussed. PMID:18397928

Jiránek, M; Fronka, A

2008-01-01

224

Determination of the diffusion coefficient and solubility of radon in plastics.

This paper describes a method for determination of the diffusion coefficient and the solubility of radon in plastics. The method is based on the absorption and desorption of radon in plastics. Firstly, plastic specimens are exposed for controlled time to referent (222)Rn concentrations. After exposure, the activity of the specimens is followed by HPGe gamma spectrometry. Using the mathematical algorithm described in this report and the decrease of activity as a function of time, the diffusion coefficient can be determined. In addition, if the referent (222)Rn concentration during the exposure is known, the solubility of radon can be determined. The algorithm has been experimentally applied for different plastics. The results show that this approach allows the specified quantities to be determined with a rather high accuracy-depending on the quality of the counting equipment, it can be better than 10 %. PMID:21467078

Pressyanov, D; Georgiev, S; Dimitrova, I; Mitev, K; Boshkova, T

2011-05-01

225

Diffusion coefficients of energetic water group ions near Comet Giacobini-Zinner

NASA Astrophysics Data System (ADS)

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.

Tan, L. C.; Mason, G. M.; Richardson, I. G.; Ipavich, F. M.

1993-03-01

226

. Applications of this technology include decontamination of environmental solids, regeneration/cleaning of adsorbents and catalysts, selective removal/separation of organic components froin process streams among other applications. Supercritical fluid... is relatively low (Tc=304. 2 K and Pc=73. 8 bar) making a process less energy intensive. The diffusion coefficients in supercritical carbon dioxide, for even the most common species, are not available. The main objective of this research is to develop a...

Orejuela, Mauricio

2012-06-07

227

NASA Technical Reports Server (NTRS)

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.

Gage, K. S.; Jasperson, W. H.

1977-01-01

228

Diffusion coefficient of a passive contaminant in a local MHD model of a turbulent accretion disc

We calculate the radial diffusion coefficient for a passive contaminant in an\\u000aaccretion disc which is turbulent due to the action of the magnetorotational\\u000ainstability. Numerical MHD simulations are used to follow the evolution of a\\u000alocal patch of the disc using the shearing box formalism. A separate continuity\\u000aequation for the mass fraction of contaminant is integrated along with

Augusto Carballido; James M. Stone; James E. Pringle

2005-01-01

229

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

Wang, Junmei; Hou, Tingjun

2011-01-01

230

Computing quasi-linear diffusion coefficients using the delta-f particle-in-cell method

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.

Austin, T. M.; Smithe, D. N.; Ranjbar, V. [Tech-X Corporation, 5621 Arapahoe Ave., Suite A, Boulder, CO 80303 (United States)

2009-11-26

231

A new method for measuring the diffusion coefficient in a gas phase.

A new and fast method for measuring the diffusion coefficients of binary gas mixtures using ion mobility spectrometry (IMS) has been developed. In this method, the sample is injected as a short pulse into the flowing drift gas, forming a Gaussian concentration profile inside the drift region. This Gaussian cloud is irradiated with a fast moving swarm of electrons to create negative ions. The flash of electrons is so short that the negative ions do not move much during the exposure time. The ions then drift toward the detector, where they are collected. The collected ion signal pattern reflects the spatial distribution of the sample inside the cloud at the time of exposure. This is repeated in intervals of 300-400 ms to monitor the spatial spreading of the molecules in the drift region. Consecutive IMS spectra show the evolution of the cloud over time. The collected spectra are fit to Gaussian functions to extract diffusion coefficients. Using this method, the diffusion coefficient of O(2), CHCl(3), and C(2)H(2)Cl(2) were measured, and the results are in good agreement with the previously reported experimental data. PMID:16986857

Rouholahnejad, Fereshteh; Tabrizchi, Mahmoud

2006-09-28

232

NASA Technical Reports Server (NTRS)

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.

Chow, M.; Houska, C. R.

1980-01-01

233

a New Method for Measuring Diffusion Coefficient of Gases in Liquids by Plif

NASA Astrophysics Data System (ADS)

Gas-liquid mass transfer is a major issue in engineering processes such as wastewater treatment or biogas production since this phenomenon is directly linked to their design and efficiency. In recent years, much research has been done in this area but some gaps still remain in our knowledge of gas-liquid transfer, in particular concerning molecular diffusivity. The determination of molecular diffusivity is commonly based on empirical correlations, such as the widely used Wilke and Chang13 expression, valid under specific conditions and with relatively high uncertainties. In the present work, an innovative and promising technique is proposed to determine diffusion coefficients of gases in liquids. This technique is based on visualizing and quantifying oxygen diffusion across a flat gas-liquid interface, in a Newtonian medium, using planar laser induced fluorescence (PLIF) with inhibition. Particle image velocimetry (PIV) experiments were conducted to confirm the hydrodynamic flow field in the liquid phase. Results included the visualization of oxygen diffusion over time, and the quantification of this visualization. The oxygen diffusivity thus determined is in agreement with values found in the literature.

Jimenez, Mélanie; Dietrich, Nicolas; Hebrard, Gilles

234

Rapid simulation of the time-dependent diffusion coefficient in complex materials

NASA Astrophysics Data System (ADS)

A finite-difference approach is presented for the analysis of the time-dependent diffusion coefficient for general heterogeneous materials that are either cavity-enclosed or periodic. In the bulk material, diffusivity and volume relaxivity are accounted for. The interaction of the diffusive medium with non-diffusive inclusions is modeled via a surface relaxivity. The time dependence is modeled using matrix exponentials that are shown to be efficiently evaluated using a Krylov-subspace approach. For a 3D model grid composed of M voxels of diffusive material (voxels containing non-diffusive material are not stored in the kernel matrix), the memory requirement is 15M and the computational time complexity for two large-scale example models is shown to be of order M1.39 and M1.10. Error estimate formulas are presented that can be used to guide the choice of domain grid resolution. Richardson extrapolation is shown to be effective in lowering simulation error. We apply this approach to modeling the nuclear magnetic resonance response of several subsurface rock pore geometries. They demonstrate the method to be simple and robust in both 2D and 3D complex geometries.

Prange, Michael D.; Druskin, Vladimir; Linton Johnson, David; Schwartz, Lawrence M.

2011-09-01

235

Abstract Background. Although the roles of diffusion-weighted imaging (DWI) and apparent diffusion coefficient (ADC) have been accepted as the initial or confirmatory diagnostic tool for spontaneous intracranial infections, the usefulness of these has rarely been investigated in intracranial infections after a craniotomy procedure. Through an analysis of the clinico-radiological characteristics of spontaneous and postoperative intracranial infections, the authors revealed the specific factors that affect the accuracy of DWI and ADC in diagnosing intracranial infections. Methods. The authors retrospectively analyzed 67 intracranial infections confirmed using preoperative MR imaging, including the DWI, ADC and gadolium-enhanced (Gd) images, and by peroperative pus drainage. Results. In 67 enrolled patients, no or uncertain diffusion restriction on DWI and ADC was found in 9 cases (13%). All the cases showed typical peripheral enhancement on Gd images. Among nine cases without diffusion restriction, postoperative infection was seen in five cases (62.5% [5/8 postoperative infection group] vs. 6.8% [4/59 spontaneous infection group], p = 0.001). On multivariate analysis, postoperative infection was the predictive factor for false-negative restriction on DWI and ADC (hazard ratio: 41.2, 95% confidential index: 2.39-710.25, p = 0.01). Conclusion. Despite the excellent availability of DWI and ADC for diagnosing spontaneous intracranial infections, negative restriction results of those images are not sufficient to exclude postoperative intracranial infection. PMID:24970588

Kim, Yeong-Jin; Moon, Kyung-Sub; Kim, Seul Kee; Kang, Seong-Ji; Lee, Kyung-Hwa; Jang, Woo-Yool; Jung, Tae-Young; Kim, In-Young; Jung, Shin

2014-12-01

236

Computations of ion diffusion coefficients from the Boltzmann-Fokker-Planck equation

NASA Technical Reports Server (NTRS)

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.

Roussel-Dupre, R.

1981-01-01

237

NASA Astrophysics Data System (ADS)

SummaryThe development of a method for the determination of the apparent diffusion coefficient, DA, for chloride in saturated Chalk cores is described. The method is rapid compared with other approaches, taking typically less than 24 h for a single determination. Cylindrical Chalk cores approximately 25 mm high by 25 mm in diameter, which are routinely used in porosity and permeability measurements and which had been pre-equilibrated with a 200 mg/L chloride solution, were sealed at both ends and attached to a slowly rotating spindle suspended in a reservoir. A chloride ion-selective electrode (ISE) connected to a data logger was used to record chloride diffusion out of the core. DA was estimated by analysing the change in chloride concentration in the reservoir with time. Diffusion coefficients were estimated for six Chalk samples from a range of Chalk lithologies. Sample porosities for these Chalks ranged from 32% to 48% and gas permeabilities from 0.3 to 8.2 × 10 -9 m 2. The DA was found to vary from 3.1 to 8.7 × 10 -10 m 2/s, a similar range to that observed by others. A bromide ISE was also used on one sample and found to give a similar DA to that obtained for chloride. This approach, which combines a rigorous mathematical model of diffusion with a relatively simple practical method, could easily be adapted for other ions and for other consolidated porous media.

Gooddy, Daren C.; Kinniburgh, David G.; Barker, John A.

2007-09-01

238

Molecular dynamics calculation of rotational diffusion coefficient of a carbon nanotube in fluid

NASA Astrophysics Data System (ADS)

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.

Cao, Bing-Yang; Dong, Ruo-Yu

2014-01-01

239

NASA Astrophysics Data System (ADS)

Water diffusion coefficients of soils directly control the solute (such as nitrogen and phosphorous) movement in wetlands, which greatly influences the water quality of rivers. The processes of water diffusion in natural saline-alkaline wetland soils were simulated by using horizontal soil columns from the Erbaifangzi (EBFZ) wetland in the Xianghai National Natural Reserve of China in 2001. The results showed that the water diffusion coefficient was the lowest in the topsoil. It followed the order 0-10 cm < 10-20 cm < 20-60 cm. The water diffusion coefficients decreased exponentially with an increase in the distance but increased exponentially with increases in the volumetric soil water contents. The changing curve of the topsoil was steeper, and the water diffusion coefficients were closely linked with the soil properties such as the SOM and clay contents.

Bai, Junhong; Deng, Wei; Cui, Baoshan; Ouyang, Hua

2007-06-01

240

Topology and thermodynamics of gaseous ligands diffusion paths in human neuroglobin.

The physiological role of recently discovered human neuroglobin (Ngb) is still unknown. Sound hypothesis says that it protects brain during hypoxia. In this paper the advanced potential of mean force by implicit ligand sampling (PMF/ILS) method is used to study the free energy landscape of Ngb for O(2), NO and CO ligands. The multiple diffusion paths are discovered and four ligand binding cavities are determined. The data show that certain regions are easily accessible by O(2) and NO but are protected from CO. Free energy landscapes provide realistic data for stochastic models of ligand diffusion in proteins. PMID:18718500

Orlowski, Slawomir; Nowak, Wieslaw

2008-12-01

241

This report describes modifications made to the EOSN module(Shan and Pruess, 2003) of the nonisothermal multiphase flow simulatorTOUGH2 (Pruess, et al., 1999). The EOSN fluid property module simulatestransport of water, brine, air, and noble gases or CO2 in the subsurface.In the standard version of the EOSN module, diffusion coefficients can bespecified by the user, but there is no allowance for liquid-phasediffusion coefficients to change with temperature. Furthermore, usersmust specify radiogenic sources of heat and helium for each element indata block GENER, which can be a time-consuming task for models withlarge numbers of elements. Our modifications seek to increase thefunctionality and efficiency of using TOUGH2-EOSN by allowing for mass-and temperature-dependent liquid-phase diffusion coefficients for heliumand neon and specification of radiogenic heat and helium production as aproperty of a material. The modified version is based on TOUGH2-EOSN andthus requires familiarity with the capabilities and input formats of theTOUGH2 code (Pruess, et al., 1999) and the EOSN module (Shan and Pruess,2003). This report only details our modifications and how to properlyutilize them.

Andrews, J.L.; Finsterle, S.; Saar, M.O.

2007-04-13

242

Physics-based ULF Wave Radial Diffusion Coefficients in the Van Allen Belts

NASA Astrophysics Data System (ADS)

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.

Mann, Ian; Rae, Jonathan; Murphy, Kyle; Ozeke, Louis; Milling, David; Chan, Anthony; Elkington, Scot; Angelopoulos, Vassilis

243

Measurement of Retinalamin diffusion coefficient in human sclera by optical spectroscopy

NASA Astrophysics Data System (ADS)

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.

Genina, Elina A.; Bashkatov, Alexey N.; Zubkova, Elena A.; Kamenskikh, Tatiana G.; Tuchin, Valery V.

2008-12-01

244

Diffusion coefficients of cerium and gadolinium in molten LiCl-KCl

The most important step in the pyrometallurgical reprocessing is the electrorefining in molten chlorides. In this step, spent metal fuel is anodically dissolved into LiCl-KCl eutectic melt, and the actinides are selectively recovered at the cathodes due to the differences among the redox potentials of the elements, while fission products remain in the anode and in the electrolyte salt. The diffusion coefficients of Ce(III) and Gd(III) in LiCl-KCl eutectic melt were determined in the temperature range between 673 and 823 K by chronopotentiometry. A new method was devised to minimize the error in defining the surface area of the working electrode. The immersed depth of the working electrode was changed by stages, and the relation between the change in the square root of the transition time and that in the surface area of the working electrode was substituted into the Sand equation instead of their absolute values. The activation energies for diffusion and the diffusion coefficients of lanthanide ions in LiCl-KCl are discussed in connection with their ionic radii and the stability of their complex ions.

Iizuka, Masatoshi [Central Research Inst. of Electric Power Industry, Tokyo (Japan)

1998-01-01

245

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.

Jackson, D.R.

1986-04-01

246

Cellulose acetate dialysis membrane (CDM) has been used in the diffusive gradients in thin films (DGT) technique, where accurate diffusion coefficients are essential for the assessment of the concentrations of labile metal in solution. Effective concentration difference model (ECDM), based on the assumption that the effective diffusion coefficient of metal ion in the dialysis membrane is determined by the effective concentration difference (?C(e)) across the dialysis membrane, is proposed and applied to study the effect of ionic strength, binding agent, ligands and Donnan potential on the effective diffusion coefficient. The effective diffusion coefficients of Cd(2+) through the dialysis membrane immersed in receptor solutions with binding agent were almost the same as those in receptor solutions without binding agent at higher ionic strengths (0.01-1 M) but much higher than those at lower ionic strengths (0.001-0.0001 M). The effective diffusion coefficients of Cd(2+) through the dialysis membrane immersed in deionized water receptor solutions with binding agent were not significantly different from those in synthetic receptor solutions (receptor solutions with various ionic strengths) with binding agent. The DGT-labile fractions were measured in synthetic solutions and natural waters, which indicated that the effective diffusion coefficients, through the dialysis membrane immersed in the deionized water solution with binding agent as receptor solution and in the spiked natural water as source solution, were more suitable for DGT application. PMID:21645656

Chen, Hong; Sun, Ting; Sui, Dianpeng; Dong, Jia

2011-07-18

247

Time-dependent diffusion coefficient as a probe of the permeability of the pore wall

NASA Astrophysics Data System (ADS)

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 ? as the permeability of the membrane, we find, for the particles released inside the cells, DR,eff(t)=DR[1-(SR/VR){4DRt/(9?)-?tDL(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)?t-(1/12)DRt<(1/R1+1/R2)>R], where ? 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 ? 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.

Sen, Pabitra N.

2003-11-01

248

Calculating diffusion and permeability coefficients with the oscillating forward-reverse method

NASA Astrophysics Data System (ADS)

The forward-reverse or FR method is an efficient bidirectional work method for determining the potential of mean force w(z) and also supposedly gives in principle the position-dependent diffusion coefficient D(z). Results from a variation called the OFR (oscillating FR) method suggest inconsistencies in the D(z) values when calculated as prescribed by the FR method. A new steering protocol has thus been developed and applied to the OFR method for the accurate determination of D(z) and also provides greater convergence for w(z) in molecular dynamics simulations. The bulk diffusion coefficient for water was found to be (6.03±0.16)×10-5 cm2/s at 350 K with system size dependence within the statistical error bars. Using this steering protocol, D(z) and w(z) for water permeating a dipalmitoylphosphatidylcholine (DPPC) bilayer were determined. The potential of mean force is shown to have a barrier of peak height, wmax/(kBT)=8.4, with a width of about 10 Å on either side from the membrane center. The diffusion constant is shown to be highest in the core region of the membrane [peak value ˜(8.0±0.8)×10-5 cm2/s], lowest in the head-group region [minimum value ˜(2.0±0.3)×10-5 cm2/s], and to tend toward the bulk value as the water molecule leaves the membrane. The permeability coefficient P for H2O in DPPC was determined using the simulated D(z) and w(z) to give values of (0.129±0.075) cm/s at 323 K and (0.141±0.043) cm/s at 350 K. The results show more spatial detail than results presented in previous work while reducing the computational and user effort.

Holland, Bryan W.; Gray, Chris G.; Tomberli, Bruno

2012-09-01

249

Calculating diffusion and permeability coefficients with the oscillating forward-reverse method.

The forward-reverse or FR method is an efficient bidirectional work method for determining the potential of mean force w(z) and also supposedly gives in principle the position-dependent diffusion coefficient D(z). Results from a variation called the OFR (oscillating FR) method suggest inconsistencies in the D(z) values when calculated as prescribed by the FR method. A new steering protocol has thus been developed and applied to the OFR method for the accurate determination of D(z) and also provides greater convergence for w(z) in molecular dynamics simulations. The bulk diffusion coefficient for water was found to be (6.03±0.16)×10(-5) cm2/s at 350 K with system size dependence within the statistical error bars. Using this steering protocol, D(z) and w(z) for water permeating a dipalmitoylphosphatidylcholine (DPPC) bilayer were determined. The potential of mean force is shown to have a barrier of peak height, wmax/(kBT)=8.4, with a width of about 10 Å on either side from the membrane center. The diffusion constant is shown to be highest in the core region of the membrane [peak value ?(8.0±0.8)×10(-5) cm2/s], lowest in the head-group region [minimum value ?(2.0±0.3)×10(-5) cm2/s], and to tend toward the bulk value as the water molecule leaves the membrane. The permeability coefficient P for H2O in DPPC was determined using the simulated D(z) and w(z) to give values of (0.129±0.075) cm/s at 323 K and (0.141±0.043) cm/s at 350 K. The results show more spatial detail than results presented in previous work while reducing the computational and user effort. PMID:23031053

Holland, Bryan W; Gray, Chris G; Tomberli, Bruno

2012-09-01

250

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.

Sanford, R. F.

1982-01-01

251

The partition and effective diffusion coefficients of formaldehyde were measured for three materials (conventional gypsum wallboard, "green" gypsum wallboard, and "green" carpet) under three relative humidity (RH) conditions (20%, 50%, and 70% RH). The "green" materials contained recycled materials and were friendly to environment. A dynamic dual-chamber test method was used. Results showed that a higher relative humidity led to a larger effective diffusion coefficient for two kinds of wallboards and carpet. The carpet was also found to be very permeable resulting in an effective diffusion coefficient at the same order of magnitude with the formaldehyde diffusion coefficient in air. The partition coefficient (K(ma)) of formaldehyde in conventional wallboard was 1.52 times larger at 50% RH than at 20% RH, whereas it decreased slightly from 50% to 70% RH, presumably due to the combined effects of water solubility of formaldehyde and micro-pore blocking by condensed moisture at the high RH level. The partition coefficient of formaldehyde increased slightly with the increase of relative humidity in "green" wallboard and "green" carpet. At the same relative humidity level, the "green" wallboard had larger partition coefficient and effective diffusion coefficient than the conventional wallboard, presumably due to the micro-pore structure differences between the two materials. The data generated could be used to assess the sorption effects of formaldehyde on building materials and to evaluate its impact on the formaldehyde concentration in buildings. PMID:22788105

Xu, Jing; Zhang, Jianshun S; Liu, Xiaoyu; Gao, Zhi

2012-06-01

252

Results of a monte carlo investigation of the diffuse attenuation coefficient.

There has been a large effort to relate the apparent optical properties of ocean water to the inherent optical properties, which are the absorption coefficient a, the scattering coefficient b, and the scattering phase function rho(theta). The diffuse attenuation coefficient kdiff' has most often been considered an apparent optical property. However, kdiff' can be considered a quasi-inherent property kdiff' when defined as a steady-state light distribution attenuation coefficient. The Honey-Wilson research empirically relates kdiff' to a and b. The Honey-Wilson relation most likely applies to a limited range of water types because it does not include dependence on rho(theta). A series of Monte Carlo simulations were initiated to calculate kdiff' in an unstratified water column. The calculations, which reflected open ocean water types, used ranges of the single-scattering albedo omega(0) and the mean forward-scattering angle theta(m) for two analytic phase functions with different shapes. It was found that kdiff' is nearly independent of the shape of rho(theta) and can be easily parameterized in terms of a, b, and theta(m) for 0.11

Concannon, B M; Davis, J P

1999-08-20

253

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

Bentley, Fiona K; Melis, Anastasios

2012-01-01

254

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

Sterling, Sarah M.; Allgeyer, Edward S.; Fick, Jorg; Prudovsky, Igor; Mason, Michael D.; Neivandt, David J.

2013-01-01

255

Scaling invariance of the diffusion coefficient in a family of two-dimensional Hamiltonian mappings

NASA Astrophysics Data System (ADS)

We consider a family of two-dimensional nonlinear area-preserving mappings that generalize the Chirikov standard map and model a variety of periodically forced systems. The action variable diffuses in increments whose phase is controlled by a negative power of the action and hence effectively uncorrelated for small actions, leading to a chaotic sea in phase space. For larger values of the action the phase space is mixed and contains a family of elliptic islands centered on periodic orbits and invariant Kolmogorov-Arnold-Moser (KAM) curves. The transport of particles along the phase space is considered by starting an ensemble of particles with a very low action and letting them evolve in the phase until they reach a certain height h. For chaotic orbits below the periodic islands, the survival probability for the particles to reach h is characterized by an exponential function, well modeled by the solution of the diffusion equation. On the other hand, when h reaches the position of periodic islands, the diffusion slows markedly. We show that the diffusion coefficient is scaling invariant with respect to the control parameter of the mapping when h reaches the position of the lowest KAM island.

de Oliveira, Juliano A.; Dettmann, Carl P.; da Costa, Diogo R.; Leonel, Edson D.

2013-06-01

256

NASA Astrophysics Data System (ADS)

Diffusion of gas molecules to the surface is the first step for all gas-surface reactions. Gas phase diffusion can influence and sometimes even limit the overall rates of these reactions; however, there is no database of the gas phase diffusion coefficients of atmospheric reactive trace gases. Here we compile and evaluate, for the first time, the diffusivities (pressure-independent diffusion coefficients) of atmospheric inorganic reactive trace gases reported in the literature. The measured diffusivities are then compared with estimated values using a semi-empirical method developed by Fuller et al. (1966). The diffusivities estimated using Fuller's method are typically found to be in good agreement with the measured values within ±30%, and therefore Fuller's method can be used to estimate the diffusivities of trace gases for which experimental data are not available. The two experimental methods used in the atmospheric chemistry community to measure the gas phase diffusion coefficients are also discussed. A different version of this compilation/evaluation, which will be updated when new data become available, is uploaded online (diffusion"target="_blank">https://sites.google.com/site/mingjintang/home/diffusion).

Tang, M. J.; Cox, R. A.; Kalberer, M.

2014-09-01

257

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

Alonso de Mezquia, David; Wang, Zilin; Lapeira, Estela; Klein, Michael; Wiegand, Simone; Mounir Bou-Ali, M

2014-11-01

258

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.

Shalchi, A.; Danos, R. J., E-mail: andreasm4@yahoo.com [Department of Physics and Astronomy, University of Manitoba, Winnipeg, Manitoba R3T 2N2 (Canada)

2013-03-10

259

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.

Sassiat, P.R.; Mourier, P.; Caude, M.H.; Rosset, R.H.

1987-04-15

260

Measurement of the diffusion coefficients of metal vapors in graphite furnaces

NASA Astrophysics Data System (ADS)

Atomic dissipation in a graphite furnace, heated at a rate of approximately 10 Kms -1, has been investigated. At such heating rates, atomic dissipation is separated by time from the atomization process, and the decay portion of the absorbance signal reflects the removal function. The diffusion coefficients of Ag, Au, Bi, Cd, Ga, In, Mn, Pb, Sb, Sn, Tl and Zn were determined by routine analytical signals obtained on commercial atomic absorption instrumentation, without any modification to the standard technique. The dynamic measurement of the effective gas temperature was carried out by the use of the two-line method, with Pb 368.3/280.2 nm, and Sn 286.3/284.0 nm line pairs. The agreement of the experimental data with the diffusion coefficients, calculated by the Chapman-Enskog theory, was obtained for all of the elements investigated; confirming the diffusional nature of atom removal for these elements, and as well the weak interaction of the atomic vapor with the graphite surface.

Sadagoff, Yuri M.

2000-07-01

261

Effect of cation on diffusion coefficient of ionic liquids at onion-like carbon electrodes.

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. PMID:24920163

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

262

Effect of cation on diffusion coefficient of ionic liquids at onion-like carbon electrodes

NASA Astrophysics Data System (ADS)

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.

Van Aken, Katherine L.; McDonough, John K.; Li, Song; Feng, Guang; Chathoth, Suresh M.; Mamontov, Eugene; Fulvio, Pasquale F.; Cummings, Peter T.; Dai, Sheng; Gogotsi, Yury

2014-07-01

263

The aim of this study was to develop a fast method for estimating whether a brain volume loss is within the normal range for the respective age of the patient. A readout-segmented diffusion-weighted echo-planar imaging sequence was performed as part of the routine examination at a 3-T scanner. Data without (b0-image) and with diffusion weighting (1000?s/mm2) from 492 patients were examined (in the age from 3 to 89?years). One hundred and seventy-three data-sets had to be excluded due to brain lesions or to pathological enlarged cerebrospinal fluid spaces. In the remaining 319 data-sets, apparent diffusion coefficients (ADCs) values were calculated for all pixels exceeding a combined threshold in the diffusion-weighted data and in the non-diffusion-weighted data. The first part of the histogram represents pixels containing mostly brain tissue. The percentage of number of pixels in this part of the ADC histograms was evaluated for all patients and was correlated with the age of the patients. In all the areas examined, a monotone change of relative pixel numbers with the age of the patients was found. The reduction of the contribution of pixels containing mostly brain tissue accelerated with age and was found to be 0.18%/year in the age of 20, 0.34%/year in the age of 50, and 0.50%/year in the age of 80. The observed decrease of the relative number of pixels from the brain tissue with increasing age corresponds to previously published results based on more time-consuming 3-D measurements. The presented technique uses a conventional clinical sequence and might be helpful in deciding whether an observed brain volume loss in a patient is within the normal range for the age of the patient. PMID:24312050

Klose, Uwe; Batra, Marion; Nagele, Thomas

2013-01-01

264

Apparent diffusion coefficient in glioblastoma with PNET-like components, a GBM variant.

Glioblastoma (GBM) with primitive neuroectodermal tumor (PNET)-like (GBM-PNET) components is a rare variant of GBM. Recent studies describe PNET-like clinical behavior in these patients-with significantly increased propensity for CSF dissemination and a benefit of "PNET-like" chemotherapy. The imaging appearance of GBM-PNET is not well-described and given areas of marked cellularity in the PNET components one might expect significantly reduced diffusion on MRI. The purpose of this study is to quantitatively evaluate the diffusion characteristics in GBM-PNET and compare them with conventional GBMs. Nine patients with surgical specimens yielding GBM-PNET were identified from the UCSF Pathology files. MR images of these patients were reviewed retrospectively. DWI (diffusion-weighted imaging) sequences were analyzed with multiple regions of interests placed within the tumor, and ADC (apparent diffusion coefficient) values were measured. Results were compared to previously published ADC values in pathology-proven conventional GBM cases from our institution. Reduced ADC was seen in GBM-PNET (mean 581 × 10(-6) mm(2)/s, range 338-817) compared to previously published mean of 1,030 × 10(-6) mm(2)/s in the enhancing components of conventional GBMs. We report substantially reduced ADC values in GBM-PNETs compared to conventional GBMs. If demonstrated in a larger sample, when areas of marked reduced diffusion are seen in a suspected GBM, MRI may appropriately direct tissue sampling and can advocate a thorough search for PNET-like components on histopathology. These patients may have a higher chance of developing CSF dissemination and may benefit from "PNET-like" platinum-based chemotherapy. PMID:24893732

Ali, Saad; Joseph, Nancy M; Perry, Arie; Barajas, Ramon F; Cha, Soonmee

2014-09-01

265

In-situ estimate of submesoscale horizontal eddy diffusion coefficients across a front

NASA Astrophysics Data System (ADS)

Fronts, jets and eddies are ubiquitous features of the world oceans, and play a key role in regulating energy budget, heat transfer, horizontal and vertical transport, and biogeochemical processes. Although recent advances in computational power have favored the analysis of mesoscale and submesoscale dynamics from high-resolution numerical simulations, studies from in-situ observations are still relatively scarce. The small dimensions and short duration of such structures still pose major challenges for fine-scale dedicated field experiments. As a consequence, in-situ quantitative estimates of key physical parameters for high-resolution numerical models, such as horizontal eddy diffusion coefficients, are still lacking. The Latex10 campaign (September 1-24, 2010), within the LAgrangian Transport EXperiment (LATEX), adopted an adaptive sampling strategy that included satellite data, ship-based current measurements, and iterative Lagrangian drifter releases to successfully map coherent transport structures in the western Gulf of Lion. Comparisons with AVHRR imagery evidenced that the detected structures were associated with an intense frontal feature, originated by the convergence and subsequent stirring of colder coastal waters with warmer open-sea waters. We present a method for computing horizontal eddy diffusion coefficients by combining the stirring rates estimated from the Lagrangian drifter trajectories with the shapes of the surface temperature and salinity gradient (assumed to be at the equilibrium) from the ship thermosalinograph. The average value we obtained from various sections across the front is 2.5 m2s-1, with horizontal scales (width of the front) ranging between 0.5 and 2.5 km. This is in line with the values commonly used for high-resolution numerical simulations. Further field experiment will be required to extend the results to different ocean regions and regimes, and to thoroughly test the robustness of the equilibrium hypothesis. Remote sensed measurements of sea surface temperature and elevation could also be used to compute fine-scale horizontal eddy diffusion coefficients over larger areas and for different ocean regions. However, the coarse resolution of current sea surface topography observations, and their unreliability over coastal regions, represent important limitations for this type of application. The velocity fields provided by the SWOT mission will allow to retrieve accurate high-resolution stirring rates across the ocean. Combining these rates with remote-sensed SST gradients will make possible to extend our analysis and investigate patterns and variability of submesoscale horizontal eddy diffusion at the global scale.

Nencioli, Francesco; d'Ovidio, Francesco; Doglioli, Andrea; Petrenko, Anne

2013-04-01

266

This study was designed to characterize the initial and secondary changes of the apparent diffusion coefficient (ADC) of water with high temporal resolution measurements of ADC values and to correlate ADC changes with functional outcomes. Fourteen rats underwent 30 minutes of temporary middle cerebral artery occlusion (MCAO). Diffusion-, perfusion-, and T2-weighted imaging was performed during MCAO and every 30 minutes

Fuhai Li; Matthew D. Silva; Karl G. Helmer; Tsuyoshi Omae; Joseph D. Fenstermacher; Christopher H. Sotak; Marc Fisher

2000-01-01

267

Background and Purpose—Recent studies have shown that the brain ischemic area defined by the map of decreased apparent diffusion coefficient (ADC) obtained by diffusion-weighted imaging (DWI) during the first hours of ischemic stroke includes a significant part of ischemic penumbra. We hypothesize that the misjudgment of the final infarct size by ADC mapping may be related to a restricted ability

F. Nicoli; Y. Lefur; B. Denis; J. P. Ranjeva; S. Confort-Gouny; P. J. Cozzone

2010-01-01

268

Method qualification and application of diffusion interaction parameter and virial coefficient.

This research focused on evaluation and application of two methods in studying weak protein-protein interactions, i.e. diffusion interaction parameter (KD) and second virial coefficient (B22), both of which are first-order coefficients of protein interactions. Although the plate-based KD method successfully distinguished KD values with relatively large difference in a pH ranging study, it failed to make a consistent statistical decision to determine close interactions as shown by the comprehensive ANOVA analysis. We also validated the DLS-based B22 method by using a model protein lysozyme. The dramatic change of solution appearance for lysozyme as a function of NaCl concentration highlighted the importance of B22 in understanding protein interactions. Moreover, B22 measurement for a MAb fragment suggested a more repulsive protein interaction in histidine buffer than in citrate buffer. The coefficient of variation was <10% when B22 was on an order of magnitude of 10(-4) L mmol/g(2) in contrast to >30% when it approached 10(-5) L mmol/g(2). In this research, we also made an attempt to study protein-protein interactions in concentrated MAb fragment solutions (e.g. >50 mg/mL). Our data suggested that such interactions could be empirically modeled by high-order virial expansions. PMID:24095715

Shi, Shuai; Uchida, Makiko; Cheung, Jason; Antochshuk, Valentyn; Shameem, Mohammed

2013-11-01

269

Diffusion coefficients of endogenous cytosolic proteins from rabbit skinned muscle fibers.

Efflux time courses of endogenous cytosolic proteins were obtained from rabbit psoas muscle fibers skinned in oil and transferred to physiological salt solution. Proteins were separated by gel electrophoresis and compared to load-matched standards for quantitative analysis. A radial diffusion model incorporating the dissociation and dissipation of supramolecular complexes accounts for an initial lag and subsequent efflux of glycolytic and glycogenolytic enzymes. The model includes terms representing protein crowding, myofilament lattice hindrance, and binding to the cytomatrix. Optimization algorithms returned estimates of the apparent diffusion coefficients, D(r,t), that were very low at the onset of diffusion (?10(-10) cm(2) s(-1)) but increased with time as cytosolic protein density, which was initially high, decreased. D(r,t) at later times ranged from 2.11 × 10(-7) cm(2) s(-1) (parvalbumin) to 0.20 × 10(-7) cm(2) s(-1) (phosphofructose kinase), values that are 3.6- to 12.3-fold lower than those predicted in bulk water. The low initial values are consistent with the presence of complexes in situ; the higher later values are consistent with molecular sieving and transient binding of dissociated proteins. Channeling of metabolic intermediates via enzyme complexes may enhance production of adenosine triphosphate at rates beyond that possible with randomly and/or sparsely distributed enzymes, thereby matching supply with demand. PMID:24559981

Carlson, Brian E; Vigoreaux, Jim O; Maughan, David W

2014-02-18

270

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.

Goemans, M.G.E.; Gloyna, E.F. [Univ. of Texas, Austin, TX (United States). Dept. of Civil Engineering; Buelow, S.J. [Los Alamos National Lab., NM (United States)

1996-04-01

271

An investigation involving raccoons (Procyon lotor) as a sentinel species at the Paducah Gaseous Diffusion Plant (PGDP) in Western Kentucky (USA) delineated the extent of exposure to polychlorinated biphenyls (PCBs) and PCB spatial distribution. Raccoon exposure to PCBs was demonstrated through analysis of subcutaneous fat, abdominal fat, liver, and brain tissues from raccoons collected at the PGDP but also was clearly evident in raccoons from a reference area situated along the Ohio River (USA). Raccoons with the highest tissue PCB concentrations appeared to be those inhabiting areas nearest the plant itself and most likely those that ventured into the plants interior. Male raccoons at the PGDP had similar concentrations of total PCBs in subcutaneous fat (1.86 +/- 0.64 microg/g) as males from the reference site (1.41 +/- 0.35 microg/g), but females had higher PCB body burdens than those at the reference site (9.90 +/- 6.13 microg/g vs 0.75 +/- 0.40 microg/g). Gross measurements of exposure to radiation-producing materials revealed that counts per minute exceeded background in 61% of PGDP raccoons compared with 27% at the reference site and five raccoons at the PGDP had beta counts that were more than twice the background. Differences among trapping success, growth rates, and serum chemistry parameters were noted but may have been related to habitat and other environmental and population density factors. PMID:12558174

Smith, Philip N; Johnson, Kevin A; Anderson, Todd A; McMurry, Scott T

2003-02-01

272

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).

Lyon, B.F.

1996-02-01

273

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. PMID:25256138

Seo, Hyunseok; Choi, Joonsung; Oh, Changheun; Han, Yeji; Park, HyunWook

2014-10-21

274

NASA Astrophysics Data System (ADS)

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.

Seo, Hyunseok; Choi, Joonsung; Oh, Changheun; Han, Yeji; Park, HyunWook

2014-10-01

275

The effective diffusion coefficient of non retained toluene and polystyrenes compounds was measured by the peak parking method for two columns packed with mesoporous silica. Different models used to predict the effective diffusion are compared. These models include the conventional Knox time-averaged model and some effective medium theory models such as Maxwell, Landauer, Garnett or Torquato models. In all these models the effective intraparticle diffusion coefficient is needed. It is derived here, in non-adsorbing conditions, from internal porosity, hindrance factor, which can be estimated with the Renkin correlation, and internal tortuosity, which can be considered as either constant or calculated by the Weissberg equation ?=1-pln?, where ? is the accessible particle porosity and p a parameter characteristic of the topology. The experimental effective diffusion coefficients of toluene and polystyrenes were found to be in good agreement with the values predicted by the Maxwell, or Torquato models, provided the internal tortuosity is calculated by using the Weissberg equation. PMID:24380650

Wernert, Véronique; Bouchet, Renaud; Denoyel, Renaud

2014-01-17

276

Objective The aim of this study was to correlate the apparent diffusion coefficient (ADC) value of breast cancer with prognostic factors. Methods 335 patients with invasive ductal carcinoma not otherwise specified (IDC NOS) and ductal carcinoma in situ (DCIS) who underwent breast MRI with diffusion-weighted imaging were included in this study. ADC of breast cancer was calculated using two b factors (0 and 1000 s mm–2). Mean ADCs of IDC NOS and DCIS were compared and evaluated. Among cases of IDC NOS, mean ADCs were compared with lymph node status, size and immunochemical prognostic factors using Student's t-test. ADC was also correlated with histological grade using the Kruskal–Wallis test. Results Mean ADC of IDC NOS was significantly lower than that of DCIS (p<0.001). However, the mean ADC of histological grade of IDC NOS was not significantly different (p=0.564). Mean ADC of oestrogen receptor (ER)-positive or progesterone receptor (PR)-positive cancer was significantly lower than that of ER-negative or PR-negative cancer (p=0.003 vs p=0.032). Mean ADC of Ki-67 index-positive cancer was significantly lower than that of Ki-67 index-negative cancer (p=0.028). Mean ADC values of cancers with increased microvascular density (MVD) were significantly lower than those of cancer with no MVD increase (p=0.009). No correlations were observed between mean ADC value and human growth factor receptor 2 expression, tumour size and lymph node metastasis. Conclusion Low ADC value was correlated with positive expression of ER, PR, increased Ki-67 index, and increased MVD of breast cancer. PMID:22128125

Choi, S Y; Chang, Y-W; Park, H J; Kim, H J; Hong, S S; Seo, D Y

2012-01-01

277

The volume-fixed mutual diffusion coefficients of aqueous MgCl/sub 2/ have been accurately measured at 25/sup 0/C from dilute solutions to near saturation, by free-diffusion Rayleigh interferometry. Density data for MgCl/sub 2/-H/sub 2/O have been measured with pycnometers. The generalized ionic transport coefficients of irreversible thermodynamics, l/sub ij/, have been calculated from our diffusion data and critically reviewed data for thermodynamic and other transport properties. These l/sub ij/ values are compared with those of other 2-1 chlorides. The diffusion data, l/sub ij/ values, and results reported elsewhere form part of the data base necessary for development of approximation procedures for binary and ternary solution transport properties. Mutual diffusion data are also reported for several sucrose-H/sub 2/O solutions. Realignment of the Beckman-Spinco Model-H electrophoresis apparatus to optimize Rayleigh interferometry is described in the supplementary material. 97 references, 8 figures, 7 tables.

Miller, D.G.; Rard, J.A.; Eppstein, L.B.; Albright, J.G.

1984-01-01

278

Curing and diffusion coefficient study in past?rma, a Turkish traditional meat product.

Changes in water activity (a(w)), moisture and salt contents and salt effective diffusion coefficients (D(eff)) of past?rma 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. Past?rma 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. PMID:23927919

Akköse, Ahmet; Akta?, Nesimi

2014-01-01

279

Remote sensing of the diffuse attenuation coefficient of ocean water. [coastal zone color scanner

NASA Technical Reports Server (NTRS)

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.

Austin, R. W.

1981-01-01

280

Measurement of ageing effect on chloride diffusion coefficients in cementitious matrices

NASA Astrophysics Data System (ADS)

Most of the low-level nuclear waste disposal facilities are based in engineered multi barrier systems where reinforced concrete is one of the basic materials. The calculation of the time until steel reinforcement depassivation is a need due to the demand of prediction of the service life of concrete structures in radioactive repositories. In doing that, one of the main steps is the transport of chloride ions towards the reinforcement, as one of the most aggressive agents for the rebars in concrete is chloride ions. Ageing of concrete related to chloride penetration leads to significant decrease of the "apparent diffusion" coefficient with time. If this effect is not considered, considerable bias can be introduced when predicting service life of reinforced concrete of repositories. Several effects have been addressed on their influence on the ageing of concrete, including the evolution with time of the concrete pore refinement, the binding of chlorides to the cement phases and to the changes of chloride "surface concentration". These effects have been studied in specimens made with different mixes trying to represent a wide range of mineral addition proportions. The analysis of their evolution with time has shown that the resistivity alone or the joint consideration of resistivity and binding capacity ( Cb/ Cf), are appropriate parameters to appraise the diffusivity ageing. For practical reasons, an accelerated procedure is proposed in order to calculate ageing for short periods of time.

Andrade, C.; Castellote, M.; d'Andrea, R.

2011-05-01

281

NASA Astrophysics Data System (ADS)

Modeling isotopic signatures in systems affected by diffusion, advection, and a reaction which modifies the isotopic abundance of a given species, is a discipline in its infancy. Traditionally, much emphasis has been placed on kinetic isotope effects during biochemical reactions, while isotope effects caused by isotope specific diffusion coefficients have been neglected. A recent study by Donahue et al. (2008) suggested that transport related isotope effects may be of similar magnitude as microbially mediated isotope effects. Although it was later shown that the assumed differences in the isotope specific diffusion coefficients were probably overstated by one or two orders of magnitude ( Bourg, 2008), this study raises several important issues: (1) Is it possible to directly calculate isotopic enrichment factors from measured concentration data without modeling the respective system? (2) Do changes in porosity and advection velocity modulate the influence of isotope specific diffusion coefficients on the fractionation factor ?? (3) If one has no a priori knowledge whether diffusion coefficients are isotope specific or not, what is the nature and magnitude of the error introduced by either assumption? Here we argue (A) That the direct substitution of measured data into a differential equation is problematic and cannot be used as a replacement for a reaction-transport model; (B) That the transport related fractionation scales linearly with the difference between the respective diffusion coefficients of a given isotope system, but depends in a complex non-linear way on the interplay between advection velocity, and downcore changes of temperature and porosity. Last but not least, we argue that the influence of isotope specific diffusion coefficients on microbially mediated sulfate reduction in typical marine sediments is considerably smaller than the error associated with the determination of the fractionation factor.

Wortmann, Ulrich G.; Chernyavsky, Boris M.

2011-06-01

282

Apparent diffusion coefficient values of normal testis and variations with age

The usefulness of diffusion-weighted magnetic resonance imaging (DWI) in the evaluation of scrotal pathology has recently been reported. A standard reference of normal testicular apparent diffusion coefficient (ADC) values and their variations with age is necessary when interpreting normal testicular anatomy and pathology. We evaluated 147 normal testes using DWI, including 71 testes from 53 men aged 20–39 years (group 1), 67 testes from 42 men aged 40–69 years (group 2) and nine testes from six men older than 70 years (group 3). DWI was performed along the axial plane, using a single shot, multislice spin-echo planar diffusion pulse sequence and b-values of 0 and 900 s mm?2. The mean and standard deviation of the ADC values of normal testicular parenchyma were calculated for each age group separately. Analysis of variance (ANOVA) followed by post hoc analysis (Dunnett T3) was used for statistical purposes. The ADC values (× 10?3 mm2 s?1) of normal testicular tissue were different among age groups (group 1: 1.08 ± 0.13; group 2: 1.15 ± 0.15 and group 3: 1.31 ± 0.22). ANOVA revealed differences in mean ADC among age groups (F = 11.391, P < 0.001). Post hoc analysis showed differences between groups 1 and 2 (P = 0.008) and between groups 1 and 3 (P = 0.043), but not between groups 2 and 3 (P = 0.197). Our findings suggest that ADC values of normal testicular tissue increase with advancing age. PMID:24556745

Tsili, Athina C; Giannakis, Dimitrios; Sylakos, Anastasios; Ntorkou, Alexandra; Astrakas, Loukas G; Sofikitis, Nikolaos; Argyropoulou, Maria I

2014-01-01

283

First-principles binary diffusion coefficients for H, H2, and four normal alkanes + N2

NASA Astrophysics Data System (ADS)

Collision integrals related to binary (dilute gas) diffusion are calculated classically for six species colliding with N2. The most detailed calculations make no assumptions regarding the complexity of the potential energy surface, and the resulting classical collision integrals are in excellent agreement with previous semiclassical results for H + N2 and H2 + N2 and with recent experimental results for CnH2n+2 + N2, n = 2-4. The detailed classical results are used to test the accuracy of three simplifying assumptions typically made when calculating collision integrals: (1) approximating the intermolecular potential as isotropic, (2) neglecting the internal structure of the colliders (i.e., neglecting inelasticity), and (3) employing unphysical R-12 repulsive interactions. The effect of anisotropy is found to be negligible for H + N2 and H2 + N2 (in agreement with previous quantum mechanical and semiclassical results for systems involving atomic and diatomic species) but is more significant for larger species at low temperatures. For example, the neglect of anisotropy decreases the diffusion coefficient for butane + N2 by 15% at 300 K. The neglect of inelasticity, in contrast, introduces only very small errors. Approximating the repulsive wall as an unphysical R-12 interaction is a significant source of error at all temperatures for the weakly interacting systems H + N2 and H2 + N2, with errors as large as 40%. For the normal alkanes in N2, which feature stronger interactions, the 12/6 Lennard-Jones approximation is found to be accurate, particularly at temperatures above ˜700 K where it predicts the full-dimensional result to within 5% (although with somewhat different temperature dependence). Overall, the typical practical approach of assuming isotropic 12/6 Lennard-Jones interactions is confirmed to be suitable for combustion applications except for weakly interacting systems, such as H + N2. For these systems, anisotropy and inelasticity can safely be neglected but a more detailed description of the repulsive wall is required for quantitative predictions. A straightforward approach for calculating effective isotropic potentials with realistic repulsive walls is described. An analytic expression for the calculated diffusion coefficient for H + N2 is presented and is estimated to have a 2-sigma error bar of only 0.7%.

Jasper, Ahren W.; Kamarchik, Eugene; Miller, James A.; Klippenstein, Stephen J.

2014-09-01

284

First-principles binary diffusion coefficients for H, H2, and four normal alkanes + N2.

Collision integrals related to binary (dilute gas) diffusion are calculated classically for six species colliding with N2. The most detailed calculations make no assumptions regarding the complexity of the potential energy surface, and the resulting classical collision integrals are in excellent agreement with previous semiclassical results for H + N2 and H2 + N2 and with recent experimental results for CnH2n+2 + N2, n = 2-4. The detailed classical results are used to test the accuracy of three simplifying assumptions typically made when calculating collision integrals: (1) approximating the intermolecular potential as isotropic, (2) neglecting the internal structure of the colliders (i.e., neglecting inelasticity), and (3) employing unphysical R(-12) repulsive interactions. The effect of anisotropy is found to be negligible for H + N2 and H2 + N2 (in agreement with previous quantum mechanical and semiclassical results for systems involving atomic and diatomic species) but is more significant for larger species at low temperatures. For example, the neglect of anisotropy decreases the diffusion coefficient for butane + N2 by 15% at 300 K. The neglect of inelasticity, in contrast, introduces only very small errors. Approximating the repulsive wall as an unphysical R(-12) interaction is a significant source of error at all temperatures for the weakly interacting systems H + N2 and H2 + N2, with errors as large as 40%. For the normal alkanes in N2, which feature stronger interactions, the 12/6 Lennard-Jones approximation is found to be accurate, particularly at temperatures above ?700 K where it predicts the full-dimensional result to within 5% (although with somewhat different temperature dependence). Overall, the typical practical approach of assuming isotropic 12/6 Lennard-Jones interactions is confirmed to be suitable for combustion applications except for weakly interacting systems, such as H + N2. For these systems, anisotropy and inelasticity can safely be neglected but a more detailed description of the repulsive wall is required for quantitative predictions. A straightforward approach for calculating effective isotropic potentials with realistic repulsive walls is described. An analytic expression for the calculated diffusion coefficient for H + N2 is presented and is estimated to have a 2-sigma error bar of only 0.7%. PMID:25273443

Jasper, Ahren W; Kamarchik, Eugene; Miller, James A; Klippenstein, Stephen J

2014-09-28

285

Drift Tube Measurements of Mobilities and Longitudinal Diffusion Coefficients of Ions in Gases.

NASA Astrophysics Data System (ADS)

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 Waldman-Mason GER values were closer to the experimental data than the Viehland-Mason values. Interaction potentials for Br('-) in Kr and Tl('+) in Kr were determined. Initial potentials for the iterative -inversion scheme were of the 4-6-n type, the coefficients for the r('-4) term being the polarizability of Kr gas. The Tl('+) in Kr case represents the first time an ion-neutral interaction potential has been determined from a measured mobility in which the structure of the ion was not that of a rare gas.

Chelf, Roger Dale

286

A new coarse-grained model of the E. coli cytoplasm is developed by describing the proteins of the cytoplasm as flexible units consisting of one or more spheres that follow Brownian dynamics (BD), with hydrodynamic interactions (HI) accounted for by a mean-field approach. Extensive BD simulations were performed to calculate the diffusion coefficients of three different proteins in the cellular environment. The results are in close agreement with experimental or previously simulated values, where available. Control simulations without HI showed that use of HI is essential to obtain accurate diffusion coefficients. Anomalous diffusion inside the crowded cellular medium was investigated with Fractional Brownian motion analysis, and found to be present in this model. By running a series of control simulations in which various forces were removed systematically, it was found that repulsive interactions (volume exclusion) are the main cause for anomalous diffusion, with a secondary contribution from HI. PMID:25180859

Hasnain, Sabeeha; McClendon, Christopher L.; Hsu, Monica T.; Jacobson, Matthew P.; Bandyopadhyay, Pradipta

2014-01-01

287

Small effect of water on upper mantle rheology based on silicon self-diffusion coefficients

NASA Astrophysics Data System (ADS)

Water has been considered to significantly affect the mantle dynamics. In particular, experimental deformation studies [1-4] claimed that even small amount of water enhanced the creep in olivine by orders of magnitude. However, we note that their results are experimental artifact due to a number of limitations: e.g., unavoidable grain boundary sliding when polycrystalline samples were used; limited ranges of water contents due to the limited pressures; several orders higher stress and strain rate than those in nature. High temperature creep of silicate minerals is controlled by silicon self-diffusion. Therefore, measurement of silicon self-diffusion coefficients (DSi) in minerals, which can be performed without these limitations, is an independent way to study the mantle rheology. In this study, we measured DSi in Mg end-member of olivine, namely, forsterite, as a function of water content (CH2O) across a wide range, and concluded that effect of water on upper mantle rheology is very small. Forsterite single crystals were doped with <1 to ~800 ?g/g of water at 1600 K, 8 GPa using talc+brucite water sources and graphite buffer. The CH2O in the samples were controlled by the ratio of water sources to graphite. The water doped samples were polished, deposited with 500 nm 29Si enriched Mg2SiO4 thin films, and annealed at 8 GPa, 1600 or 1800 K for diffusion with the same proportion of water sources, which successfully made constant values of CH2O during diffusion annealing. The diffusion profiles were obtained by SIMS. CH2O in the samples were determined by FT-IR before and after diffusion, and also examined by SIMS. Our results yield a relationship: DSi ? (CH2O)1/3. This is explained by defect chemistry, where DSi?[VSi????]×[VO??]?(CH2O)2/3×(CH2O)-1/3=(CH2O)1/3 under the charge neutrality condition of [(OH)O?]=2[VMg??] because both Si and O vacancies are needed for Si ions to diffuse. The water contents exponent (1/3) determined in this study is much smaller than 1.2 [5], which was estimated based on deformation experiments. The small water content exponent demonstrates that effect of water on upper mantle rheology is very small in comparing with other factors like temperature, or shear stress. The difference in viscosity of olivine between dry (e.g., ~1 ?g/g of water) and 1000 ?g/g (maximum in upper mantle [6]) is only by a factor of 10. The softening of oceanic lithosphere, which is required to explain the plate motion, cannot be caused by hydration. [1] Karato et al. (1986), JGR 91, 8151-8176. [2] Mei and Kohlstedt (2000a), JGR 105(B9), 21471-21481. [3] Mei and Kohlstedt (2000b), JGR 105(B9), 21457-21469. [4] Jung and Karato (2001), Science 293, 1460-1463. [5] Hirth and Kohlstedt (2003), Geophys. Monogr. Am. Geophys. Union. 138, 83-106. [6] Hirschmann (2006), An. Rev. Earth Planet. Sci. 34, 629-653.

Fei, H.; Wiedenbeck, M.; Yamazaki, D.; Katsura, T.

2012-12-01

288

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.

Park, Sung Yoon [Department of Radiology and Center for Imaging Science, Samsung Medical Center, Sungkyunkwan University School of Medicine, Seoul (Korea, Republic of); Kim, Chan Kyo, E-mail: chankyokim@skku.edu [Department of Radiology and Center for Imaging Science, Samsung Medical Center, Sungkyunkwan University School of Medicine, Seoul (Korea, Republic of); Park, Byung Kwan [Department of Radiology and Center for Imaging Science, Samsung Medical Center, Sungkyunkwan University School of Medicine, Seoul (Korea, Republic of); Park, Won; Park, Hee Chul [Department of Radiation Oncology, Samsung Medical Center, Sungkyunkwan University School of Medicine, Seoul (Korea, Republic of); Han, Deok Hyun [Department of Urology, Samsung Medical Center, Sungkyunkwan University School of Medicine, Seoul (Korea, Republic of); Kim, Bohyun [Department of Radiology, Mayo Clinic College of Medicine, Rochester, MN (United States)

2012-06-01

289

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.

Goemans, M.G.E.; Gloyna, E.F. [Univ. of Texas, Austin, TN (United States)] [and others

1996-10-01

290

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

Naofumi Kozai; Koichi Inada; Tamotsu Kozaki; Seichi Sato; Hiroshi Ohashi; Tsunetaka Banba

2001-01-01

291

Uniform poly(ethylene glycol) (PEG) oligomers, with a degree of polymerization n=1-40, were separated by preparative supercritical fluid chromatography from commercial monodispersed samples. Diffusion coefficients, D, for separated uniform PEG oligomers were measured in dilute solutions of deuterium oxide (D(2)O) at 30 degrees C, using pulsed-field gradient nuclear magnetic resonance. The measured D for each molecular weight was extrapolated to infinite dilution. Diffusion coefficients obtained at infinite dilution follow the scaling behavior of Zimm-type diffusion, even in the lower molecular weight range. Molecular-dynamics simulations for PEG in H(2)O also showed this scaling behavior, and reproduced close hydrodynamic interactions between PEG and water. These findings suggest that diffusion of PEG in water is dominated by hydrodynamic interaction over a wide molecular weight range, including at low molecular weights around 1000. PMID:16035823

Shimada, Kayori; Kato, Haruhisa; Saito, Takeshi; Matsuyama, Shigetomo; Kinugasa, Shinichi

2005-06-22

292

NASA Astrophysics Data System (ADS)

Analysis of existing data and models on point defects in pure (Fe,Mg)-olivine (Phys Chem Miner 10:27 37,1983; Phys Chem Miner 29:680 694, 2002) shows that it is necessary to consider thermodynamic non-ideality of mixing to adequately describe the concentration of point defects over the range of measurement. In spite of different sources of uncertainties, the concentrations of vacancies in octahedral sites in (Fe,Mg)-olivine are on the order of 10-4 per atomic formula unit at 1,000 1,200 °C according to both the studies. We provide the first explicit plots of vacancy concentrations in olivine as a function of temperature and oxygen fugacity according to the two models. It is found that in contrast to absolute concentrations at ˜1,100 °C and dependence on fO2, there is considerable uncertainty in our knowledge of temperature dependence of vacancy concentrations. This needs to be considered in discussing the transport properties such as diffusion coefficients. Moreover, these defect models in pure (Fe,Mg)-olivine need to be extended by considering aliovalent impurities such as Al, Cr to describe the behavior of natural olivine. We have developed such a formulation, and used it to analyze the considerable database of diffusion coefficients in olivine from Dohmen et al. (Phys Chem Miner this volume, 2007) (Part - I) and older data in the literature. The analysis documents unequivocally for the first time a change of diffusion mechanism in a silicate mineral—from the transition metal extrinsic (TaMED) to the purely extrinsic (PED) domain, at fO2 below 10-10 Pa, and consequently, temperatures below 900 °C. The change of diffusion mechanism manifests itself in a change in fO2 dependence of diffusivity and a slight change in activation energy of diffusion—the activation energy increases at lower temperatures. These are consistent with the predictions of Chakraborty (J Geophys Res 102(B6):12317 12331, 1997). Defect formation enthalpies in the TaMED regime (distinct from intrinsic defect formation) lie between -66 and + 15 kJ/mol and migration energies of octahedral cations in olivine are most likely ˜ 260 kJ/mol, consistent with previous inferences (Phys Chem 207:147 162, 1998). Plots are shown for diffusion at various constant fO2 as well as along fO2 buffers, to highlight the difference in behavior between the two. Considering all the diffusion data and constraints from the point defect models, (Fe Mg) diffusion in olivine along [001] is best described by the Master equations: (1) At oxygen fugacities greater than 10-10 Pa: log [D_{{{FeMg}}} (m2/s)] = - 9.21 - {201000 + (P - 105) × 7 × 10^{{- 6}}}/{2.303RT} + 1/6log (fO2 /10^{{- 7}}) + 3X_{{{Fe}}} where T is in Kelvin, P and fO2 is in Pascals, X Fe is the mole fraction of the fayalite component and R is the gas constant in J/mol/K. (2) At oxygen fugacities less than 10-10 Pa: log [D_{{{FeMg}}} (m2/s)] = - 8.91 - {220000 + (P - 105) × 7 × 10^{{- 6}}}/{2.303RT} + 3X_{{{Fe}}} These equations reproduce all of the 113 experimental data points within half an order of magnitude. (3) Alternately, a global equation averaging out the change of mechanism may be used, with somewhat larger errors in reproducing the measured diffusion data. It underestimates data at higher temperatures, and overestimates them at lower temperatures on the average. Note that fO2 is not explicitly considered here, leading to additional sources of error: log [D_{{{FeMg}}} (m2/s)] = - 8.27 - {226000 + (P - 105) × 7 × 10^{{- 6}}}/{2.303RT} + 3X_{{{Fe}}} To obtain diffusion coefficients along [100] and [010], log 6 needs to be subtracted from each of the above equations.

Dohmen, Ralf; Chakraborty, Sumit

2007-08-01

293

NASA Astrophysics Data System (ADS)

In a previous publication [J. Appl. Phys. 110, 036103 (2011)], we have shown that the bulk expansivity and elastic data can reproduce the self-diffusion coefficients in MgO over a wide range of values, i.e., 20 orders of magnitude. This publication was crossed with recent studies supporting the view that the Anderson-Gruneisen parameter ? is independent of the temperature in alkaline earth oxides. Here, we take this view and using the resulting elastic and expansivity parameters, we repeat the calculation for the diffusion coefficient of O in MgO. The results obtained agree with the experimental data.

Dologlou, Elizabeth

2012-11-01

294

NASA Astrophysics Data System (ADS)

In this study, a Mach-Zehnder interferometer that is equipped with two lasers of different wavelengths was used to conduct high resolution measurements of concentration profiles of a ternary mixture inside a diffusion cell. Windowed Fourier transform along with an advanced unwrapping procedure was employed to extract the phase image from fringe images. Then the phase difference was obtained for a spatial resolution of 1920×1240. According to the measured refractive index profile, concentration contours of two components (out of three) were measured. Consequently, the concentration profile of the third components was calculated. Previously, the analytical solution for binary mixtures was used to estimate only the pure diffusion coefficients. In this study, for the first time, the refractive indices measured by two lasers along with the analytical solution for the ternary system, based on Fick's law, and an evolutionary algorithm (EA) known as a genetic algorithm (GA) were employed to measure the pure and cross diffusion coefficients of a transparent ternary mixture simultaneously. The optimization method to estimate diffusion coefficients was tested against various objective functions, and the best approach was that which was proposed herein. In order to validate the proposed measurement method, the experimental results of the Selectable Optical Diagnostics Instrument-Diffusion Coefficients in Mixtures (SODI-DCMIX1 project) on board the International Space Station (ISS) were analyzed using this technique and the obtained results were compared with previous techniques.

Ahadi, Amirhossein; Saghir, M. Ziad

2014-08-01

295

The use of X-ray CT to measure diffusion coefficients of heavy ions in water-saturated porous media

X-ray computerized tomography (CT) was applied for the first time to the measurement of diffusion coefficients of heavy ions in water-saturated clay and rock. The mass absorption coefficient of X-rays is high for heavy elements. Thus the migration of heavy ions in the porous samples was measured by the spatio-temporal change in intensity of X-ray CT images. The measurements of

Yoshito Nakashima

2000-01-01

296

The role of surface energy coefficients and nuclear surface diffuseness in the fusion of heavy-ions

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.

Ishwar Dutt; Rajeev K. Puri

2010-04-04

297

The diffusion coefficients of two caged fluorescent dyes were measured in free solution and in the lateral intercellular spaces (LIS) of cultured Madin-Darby canine kidney (MDCK) cells after photoactivation by illumination with a continuous or pulsed UV laser. Both quantitative video imaging and a new photometric method were utilized to determine the rates of diffusion of the caged fluorescent dyes: 8-((4,5-dimethoxy-2-nitrobenzyl)oxy)pyrene-1,3,6-trisulfonic acid (DMNB-HPTS) and (4,5-dimethoxy-2-nitrobenzyl) fluorescein dextran (10,000 MW) (DMNB-caged fluorescein dextran). The diffusion coefficients at 37 degrees C in free solution were 3.3 x 10(-6) cm2/s (HPTS) and 0.98 x 10(-6) cm2/s (10,000 MW dextran). Diffusion of HPTS within nominally linear stretches of the LIS of MDCK cells grown on glass coverslips was indistinguishable from that in free solution, whereas dextran showed a 1.6 +/- 0.5-fold reduction in diffusivity. Measurements of HPTS diffusion within the LIS of multicellular regions also exhibited a diffusivity comparable to the free solution value. The restriction to diffusion of the dextran within the LIS may be due to molecular hindrance. PMID:9635784

Xia, P; Bungay, P M; Gibson, C C; Kovbasnjuk, O N; Spring, K R

1998-01-01

298

Evaluation of T2 values and apparent diffusion coefficient of the masseter muscle by clenching

Objective : The aim of this study was to evaluate the changes in T2 values and apparent diffusion coefficient (ADC) in the masseter muscle by clenching in healthy volunteers. Methods : 37 volunteers were enrolled in the study. We measured bite force using pressure-sensitive paper and a T2 map. The ADC map was obtained at rest, during clenching, immediately after and 5 min after clenching. The spin-echo sequence was used to calculate T2, and single-shot spin-echo echo planar imaging was used to calculate the ADC. The motion-probing gradients (MPGs) were applied separately along the posterior-to-anterior (PA), right-to-left (RL) and superior-to-inferior (SI) directions, with b values of 0, 300 and 600 s mm–2 in each direction. ADC-PA, ADC-RL, and ADC-SI values were obtained, and we calculated the ADC-iso for the mean diffusivity. Results : There were no significant differences between the stronger and weaker sides of bite force before, during or 5 min after clenching for T2 and ADC. The bite force had little effect on these parameters; thus, we used the average of the two sides for the following analyses. Time course analysis of ADC-iso, ADC-PA, ADC-RL and ADC-SI demonstrated a marked increase after clenching and a rapid decrease immediately after clenching, although they did not completely return to the initial values; however, the change in ADC-RL was significantly greater than those in ADC-PA or ADC-SI (P < 0.001 each). The changes in T2 were similar to those of ADC, although not as marked. Conclusions : ADC (especially ADC-RL) was altered by contraction of the masseter muscle. PMID:21159913

Shiraishi, T; Chikui, T; Yoshiura, K; Yuasa, K

2011-01-01

299

Diffusion length damage coefficient and annealing studies in proton-irradiated InP

NASA Technical Reports Server (NTRS)

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.

Hakimzadeh, Roshanak; Vargas-Aburto, Carlos; Bailey, Sheila G.; Williams, Wendell

1993-01-01

300

Objective: The relationship between apparent diffusion coefficient (ADC) and chemotherapy has been established. However, whether ADC could be considered as a measure for monitoring response to sorafenib in hepatocellular carcinoma (HCC) has not been demonstrated. This study was to investigate the ADC changes of advanced HCC under sorafenib treatment. Methods: Athymic mice with HepG2 xenografts were allocated to two groups: control and sorafenib (40 mg/kg, bid). T2 and diffusion images were acquired at each time point (0, 10, 14, and 18 d post-therapy). Tumor volume and changes in ADC were calculated. Results: Tumor volumes on Days 10, 14, and 18 after treatment showed significant decreases in the sorafenib-treated group compared with the control. Pretreatment ADC values were not significantly different between the control and treated groups. A slow increase in ADC in the peripheral zone of tumors appeared in the treated group, which was significantly higher compared with the control group on Days 10, 14, and 18. In the central part of tumors on Day 10 after treatment, an increase in ADC appeared in the treated and control groups, the ADC of the control group being significantly lower compared with the treated tumors. From Day 10 to Day 14, the ADC map showed a progressive decrease in the central region of tumors in the treated and control groups. However, this change is more significant in the treated groups. Conclusions: Early changes in mean ADC correlated with sorafenib treatment in HCC, which are promising indicators for predicting sorafenib response in this carcinoma. PMID:25091989

Zhao, Yi-lei; Guo, Qing-qu; Yang, Gen-ren; Wang, Qi-dong

2014-01-01

301

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.

Marmer, G.J.; Dunn, C.P.; Filley, T.H.; Moeller, K.L.; Pfingston, J.M.; Policastro, A.J.; Cleland, J.H.

1991-09-01

302

The conformational diffusion coefficient for intrachain motions in biopolymers, D, sets the timescale for structural dynamics. Recently, force spectroscopy has been applied to determine D both for unfolded proteins and for the folding transitions in proteins and nucleic acids. However, interpretation of the results remains unsettled. We investigated how instrumental effects arising from the force probes used in the measurement can affect the value of D recovered via force spectroscopy. We compared estimates of D for the folding of DNA hairpins found from measurements of rates and energy landscapes made using optical tweezers with estimates obtained from the same single-molecule trajectories via the transition path time. The apparent D obtained from the rates was much lower than the result found from the same data using transition time analysis, reflecting the effects of the mechanical properties of the force probe. Deconvolution of the finite compliance effects on the measurement allowed the intrinsic value to be recovered. These results were supported by Brownian dynamics simulations of the effects of force-probe compliance and bead size. PMID:25296317

Woodside, Michael T; Lambert, John; Beach, Kevin S D

2014-10-01

303

Electronic/ionic conductivity and oxygen diffusion coefficient of Sr-Fe-Co-O system

NASA Astrophysics Data System (ADS)

Oxides in the system Sr-Fe-Co-O exhibit both electronic and ionic conductivities. Recently, Sr-Fe-Co-O system attracted great attention because of the potential to be used for oxygen permeable membranes that can operate without the electrodes or external electrical circuitry. Electronic and ionic conductivities at various temperatures have been measured on two compositions in Sr-Fe-Co-O system named SFC-1 and SFC-2. The electronic transference number is much greater than the ionic transference number in SFC-1 sample, while the electronic and ionic transference numbers are very close in SFC-2 sample. At 800 C, the electronic conductivity and ionic conductivity are approximately 76 S/cm and approximately 4 S/cm, respectively, for SFC-1, while for SFC-2 the electronic and ionic conductivities are approximately 10 S/cm and approximately 7 S/cm, respectively. By a local fitting to sigma T = A exp(-E(sub alpha)/kappa Tau), we found that the oxide ion activation energies are 0.92 eV and 0.37 eV respectively for SFC-1 and SFC-2 samples. Oxygen diffusion coefficient of SFC-2 is approximately 9 x 10(exp -7) sq cm/sec at 900 C.

Ma, B.; Park, J. H.; Balachandran, U.; Segre, C. U.

1995-03-01

304

The aim of the present study was to compare the relationship of morphologically defined non-bulging/herniated, bulging and herniated intervertebral lumbar discs with quantitative apparent diffusion coefficient (ADC). Thirty-two healthy volunteers and 28 patients with back pain or sciatica were examined by MRI. All intervertebral lumbar discs from L1 to S1 were classified according to morphological abnormality and degenerated grades. The ADC values of nucleus pulposus (NP) were measured and recorded. The significant differences about mean ADC values of NP were found between non-bulging/herniated discs and bulging discs as well as herniated discs (P < 0.05), whereas there were no significant differences in ADC values between bulging and herniated discs (P > 0.05). Moreover, statistically significant relationship was found in the mean ADC values of NP between “non-bulging/herniated and non-degenerated discs” and “non-bulging/herniated degenerated discs” as well as herniated discs (P < 0.05). Linear regression analysis between ADC value and disc level revealed an inverse correlation (r = -0.18). The ADC map of the NP is a potentially useful tool for the quantitative assessment of componential and molecular alterations accompanied with lumbar disc abnormalities. PMID:23554690

Niu, Gang; Yu, Xuewen; Yang, Jian; Wang, Rong; Zhang, Shaojuan; Guo, Youmin

2011-01-01

305

NASA Astrophysics Data System (ADS)

Two parameterizations of the resonant wave-particle interactions of electrons with ULF waves in the magnetosphere by Brautigam and Albert [2000] and Ozeke et al. [2012] are evaluated using the Versatile Electron Radiation Belt (VERB) diffusion code to estimate the effect of changing a diffusion coefficient on the radiation belt simulation. The period of investigation includes geomagnetically quiet and active time. The simulations take into account wave-particle interactions represented by radial diffusion transport, local acceleration, losses due to pitch-angle diffusion, and mixed diffusion. 1. Brautigam, D. H., and J. M. Albert (2000), Radial diffusion analysis of outer radiation belt electrons during the October 9, 1990, magnetic storm, J. Geophys. Res., 105(A1), 291-309, doi:10.1029/1999JA900344 2. Ozeke, L. G., I. R. Mann, K. R. Murphy, I. J. Rae, D. K. Milling, S. R. Elkington, A. A. Chan, and H. J. Singer (2012), ULF wave derived radiation belt radial diffusion coefficients, J. Geophys. Res., 117, A04222, doi:10.1029/2011JA017463.

Drozdov, Alexander; Mann, Ian; Baker, Daniel N.; Subbotin, Dmitriy; Ozeke, Louis; Shprits, Yuri; Kellerman, Adam

306

Rigorous and approximate analytical expressions are deduced for Differential Pulse Voltammetry at spherical electrodes of any size, including microelectrodes, when the electrogenerated species is soluble in the electrolytic solution. From these, we examine the utility of DPV for the determination of diffusion coefficients and formal potentials, establishing the optimum conditions for this purpose. The experimental validation of the theoretical results

Ángela Molina; Eduardo Laborda; Emma I. Rogers; Francisco Martínez-Ortiz; Carmen Serna; Juan G. Limon-Petersen; Neil V. Rees; Richard G. Compton

2009-01-01

307

This paper presents a study of the effects of carbon dioxide on chloride penetration and chloride ion diffusion coefficient of blended Portland cement mortar containing ground palm oil fuel ash (POA), ground rice husk ash (RHA) and classified fly ash (fine fly ash, FA). Ordinary Portland cement (OPC) is partially replaced with pozzolan and blends of pozzolans. Mortars with constant

Prinya Chindaprasirt; Sumrerng Rukzon; Vute Sirivivatnanon

2008-01-01

308

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

Marchal, D; Boireau, W; Laval, J M; Moiroux, J; Bourdillon, C

1998-01-01

309

Precise diffusion measurements of rhodamine 6G (Rh6G) dissolved in D2O at concentrations between 50 and 200 ?M were carried out in the temperature range from 280 to 320 K using pulsed field gradient nuclear magnetic resonance (PFG-NMR). The obtained diffusion coefficients can be used as a calibration reference in fluorescence correlation spectroscopy (FCS). Besides measuring the diffusivity of Rh6G, the diffusion coefficient of the solvent in the same system could be determined in parallel by PFG-NMR as the resonances of water and Rh6G are well separated in the (1)H NMR spectrum. To analyze the differences due to the isotope effect of the solvent (D2O vs. H2O), the correlation time ?D of Rh6G was measured by FCS in both D2O and H2O. The obtained isotopic correction factor, ?D(D2O)/?D(H2O) = 1.24, reflects the isotope effect of the solvent´s self-diffusion coefficients as determined previously by PFG-NMR. PMID:24606354

Majer, G; Melchior, J P

2014-03-01

310

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.

Gebrekristos, R. A.; Shapiro, A. M.; Usher, B. H.

2008-01-01

311

NASA Technical Reports Server (NTRS)

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.

Paillat, O.; Wasserburg, G. J.

1993-01-01

312

Mobilities and longitudinal diffusion coefficients for K+ ions in nitrogen and argon

NASA Astrophysics Data System (ADS)

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.

Takebe, M.; Satoh, Y.; Iinuma, K.; Seto, K.

1980-10-01

313

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

Lee, Cheng-Kuang; Tsai, Meng-Tsan; Chang, Feng-Yu; Yang, Chih-Hsun; Shen, Su-Chin; Yuan, Ouyang; Yang, Chih-He

2013-01-01

314

Measuring the ratio of aqueous diffusion coefficients between 6Li +Cl - and 7Li +Cr - by osmometry

NASA Astrophysics Data System (ADS)

Osmotic equilibrium is a singular occurrence in the evolution of an osmotic cell because at this event the net solution flux is zero such that -J w · V¯w = J s · V¯s. At this juncture, the diffusion coefficient of the solute through the membrane (?) equals the solute flux ( Js) divided by the osmotic pressure (??). Because the solute permeability coefficient (?) is related to the Fickian diffusion coefficient ( D) through the gas constant, temperature, and the membrane's thickness and tortuosity, the ratio of ? values for individual isotopic species equals the ratio of D values for the same isotopic components. A 0.9450 molal LiCl solution was placed within sealed dialysis tubing and osmoted against a kilogram of deionized water at 22°C. Osmotic equilibrium occurred at 164 ± 10 min. The ratio of ?6Li +Cl -/?7Li +Cl - was measured to be 1.011 ± 0.003 - a value close to the square root of the mass ratio between 7LiCl and 6LiCl (= 1.012) as calculated by Graham's Law. The measured diffusion coefficient ratio was used to predict the degree of hyperfiltration-induced fractionation of Li isotopes as a function of membrane ideality. When a membrane's ? exceeds 0.95 (as is likely for low-porosity shales) the 6Li /7Li ratio on the high-pressure side of the membrane can theoretically vary by more than 0.0017.

Fritz, Steven J.

1992-10-01

315

NASA Astrophysics Data System (ADS)

The paper reports on experimental binary diffusion coefficient data of neon-argon gas mixtures. Measurements were performed in the temperature range between 293.15 K and 333.15 K and for pressures between 1 bar and 10 bar over almost the whole composition range using a Loschmidt diffusion cell combined with holographic interferometry. The thermostated Loschmidt cell is divided into two half-cells, which can be separated and connected by a sliding plate. Prior to the measurements, two different pure gases are filled into the two half-cells. After starting the diffusion process, the temporal change of the partial molar densities, or rather of the refractive index of the gases, is detected in both half-cells using two holographic interferometers. With this apparatus, the temperature, pressure, and concentration dependence of the binary diffusion coefficient can be determined. The relative uncertainty of a diffusion measurement is between 0.4 % and 1.4 % depending on the pressure. The experimental data are compared with data from the literature and with new theoretical data based on quantum-mechanical ab initio calculations combined with the kinetic theory of gases. Due to a systematic error, the concentration dependence determined in the upper half-cell shows deviations from the theoretical values and from most of the literature data. The concentration, temperature, and pressure dependence obtained from the data from the lower half-cell, however, are in very good agreement with available data. The product of the binary gas diffusion coefficient and the molar density of the gas mixture shows no significant dependence on pressure for the studied neon-argon noble gas system.

Kugler, T.; Jäger, B.; Bich, E.; Rausch, M. H.; Fröba, A. P.

2013-01-01

316

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 7. The available soil and groundwater data indicate that the some of the waste disposed in this facility contacted and/or were contaminated by TCE. In our assessment, the relatively small amount of TCE associated with SWMU 7 is not contributing detectable TCE to the groundwater and does not represent a significant threat to the environment, particularly in an area where remediation and/or management of TCE in the NW plume will be required for an extended timeframe. If determined to be necessary by the PGDP team and regulators, additional TCE characterization or cleanup activities could be performed. Consistent with the limited quantity of TCE in SWMU 7, we identify a range of low cost approaches for such activities (e.g., soil gas surveys for characterization or SVE for remediation). We hope that this information is useful to the Paducah team and to their regulators and stakeholders to develop a robust environmental management path to address the groundwater and soil contamination associated with the burial ground areas.

Looney, B.; Eddy-Dilek, C.

2012-08-28

317

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 relationship between plant transpiration, soil moisture, and groundwater flow in a phyto-remediation system. The existing monitoring program was expanded in 2004 in order to evaluate the interactions among these processes. The purpose of this monitoring program was to determine the rate of contaminant removal and to more accurately predict the amount of time needed to remediate the contaminated groundwater. Initial planting occurred in 1999 at the X-740 area, with additional replanting in 2001 and 2002. In 2003, coring of selected trees and chemical analyses illustrated the presence of TCE; however, little impact was observed in groundwater levels, analytical monitoring, and periodic tree diameter monitoring at the X-740 area. To provide better understanding of how these phyto-remediation systems work, a portable weather station was installed at the X-740 area to provide data for estimating transpiration and two different systems for measuring sap flow and sap velocity were outfitted to numerous trees. After evaluating and refining the groundwater flow and contaminant transport models, the data gathered by these two inventive methods can be used to establish a rate of contaminant removal and to better predict the time required in order to meet remediation goals for the phyto-remediation systems located at the PORTS site. (authors)

Lewis, A.C.; Baird, D.R. [CDM Federal Services, P.O. Box 789, Piketon, OH 45661 (United States)

2006-07-01

318

Molecular and Thermal Diffusion Coefficients of Alkane-Alkane and Alkane-Aromatic Binary Mixtures decane-normal alkanes and methylnaphthalene-normal alkanes are measured at atmospheric pressure and T ) 25 Â°C. The normal alkanes used in this work include nC5-nC20. Thermal diffusion coefficients were

Firoozabadi, Abbas

319

The traditional analysis of the fluorescence recovery kinetics after spot bleaching yields expressions for the diffusion coefficient\\u000a of the probe that are not suitable for linear fittings. In a previous work we developed an improved recovery function that\\u000a is a better alternative for data analysis. To illustrate its application to real cases and compare it with the previous data\\u000a treatment,

H. R. Corti; G. A. Frank; M. C. Marconi

2008-01-01

320

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.

Kim, S.H.; Chen, N.C.J.; Taleyarkhan, R.P.; Wendel, M.W.; Keith, K.D.; Schmidt, R.W. [Oak Ridge National Lab., TN (United States); Carter, J.C. [J.C. Carter Associates, Inc., Knoxville, TN (United States); Dyer, R.H. [Dyer Enterprises, Harriman, TN (United States)

1996-12-30

321

NASA Astrophysics Data System (ADS)

The purpose of gaseous diffusion plant freezer/sublimer systems is to control the inventory of UF6 in the process cascade. When it is desired to decrease process inventory, UF6 vapor is transferred from the process cascade into the freezer/sublimer and frozen out. When it is desired to increase process inventory, UF6 is sublimed out of the freezer/sublimer and transferred back to the process cascade. This process technology has proven to be economically attractive for gaseous diffusion plants because it enables the plant to increase power usage during periods of low electrical utility demands, such as at night when inexpensive, nonfirm power is available, and decrease power usage during periods of high electrical utility demands. Power usage is proportional to process inventory. Control of freeze rate and sublime rate is important to this operation, especially when several freezer/sublimer systems must operate in harmony during a major inventory swing. The purpose of this report is to recommend an improved method to estimate and control the freeze and sublime rates of freezer/sublimer systems.

Ruppel, F. R.

1992-09-01

322

NASA Astrophysics Data System (ADS)

Ultra Low Frequency (ULF) wave power in the Pc5 period band is thought to play an important role in the dynamics, acceleration and transport of energetic electrons in the outer radiation belt. Current estimates of radial diffusion coefficients are typically derived empirically and characterised in terms of Kp. Using the results from a statistical analysis of ground-based and in-situ electric- and magnetic field power spectral densities as a function of solar wind speed, MLT and L-shell we compile statistical representations for the transport under a diffusive approximation. Electric diffusion rates are calculated using ground-based data from the CARISMA magnetometer network and mapped into in-situ equatorial electric fields using the Ozeke et al. [2009] model. These diffusion rates are compared to those derived from the THEMIS satellites and from previously published CRRES estimates. We find an excellent comparison between the ground-based estimates and in-situ observations. Interestingly the ground-based Pc5 power spectra show evidence of mHz spectral power peaks consistent with those observed on CRRES, and consistent with a role for field line resonances in radial diffusion. We further calculate the magnetic diffusion coefficients using data from THEMIS and GOES, and compare with previous AMPTE estimates. Overall such analysis provides a wave power based method for calculating diffusive transport using observed wave fields. Future in-situ radiation belt missions such as the Canadian Space Agency Outer Radiation Belt Injection, Transport, Acceleration and Loss Satellite (ORBITALS) will enable these physics-based models to be tested and will provide an excellent complement to the single point measurements available from the satellites.

Mann, I. R.; Rae, J.; Ozeke, L.; Murphy, K. R.; Milling, D. K.; Chan, A. A.; Elkington, S. R.

2010-12-01

323

The dependences of the conductivity increment, the electrophoretic mobility, and the permittivity increment on the counterion diffusion coefficient value were numerically determined. The use of the network simulation method made it possible to solve the governing equations for the whole range of counterion and co-ion diffusion coefficients and for very low frequencies, despite the far-reaching field-induced charge density outside the double layer. Calculations performed for different zeta potential and electrolyte concentration values show that increasing the counterion mobility, while keeping constant the electrolyte solution conductivity and the kappa a values, strongly increases the conductivity increment, barely affects the electrophoretic mobility, and strongly decreases the permittivity increment. The numerical results are discussed and compared to analytical predictions derived from the Shilov-Dukhin model, which generally leads to a good agreement, at least for high kappa a and moderate zeta. PMID:16852466

López-García, J J; Grosse, C; Horno, J

2005-06-23

324

Waterproofing, usually made of bitumen or polymers with various additives, is used to protect buildings mainly against dampness, but also against radon transported from the soil beneath the building. The radon diffusion coefficient is a material property which is considered to be strongly influenced by the inner structure (chemical composition, crystallinity) of a measured sample. We have used this parameter together with measurements of mechanical properties (hardness, tensile strength, elongation at break, etc.) and FTIR spectroscopy has been used in order to describe the changes in material properties induced by long-term degradation. This paper summarizes the results of radon diffusion coefficient measurements of waterproof materials exposed to radon, soil bacteria, high temperature and combinations of these factors. We have discovered changes as high as 83 % have been discovered compared to virgin samples. PMID:24748486

Navrátilová Rovenská, Katerina

2014-07-01

325

An alternative nuclear-magnetic-resonance (NMR) method for the measurement of the lateral diffusion coefficient D of phospholipids along the plane of a spherical bilayer on a solid support is presented. D values are determined at various temperatures for palmitoyl-oleoyl-phosphatidylcholine (POPC) bilayer on a spherical silica support of 640 nm diameter. The method is based upon the measurement of the quadrupolar transverse

Thomas Köchy; Thomas M. Bayerl

1993-01-01

326

Optical Imaging Anna Custo1,2 , William M. Wells III1,3 , Alex H. Barnett2 , Elizabeth M.C. Hillman2 inversion for functional Diffuse Optical Imaging (DOI) of the brain. The diffusion approximation to photon this in detail using Monte Carlo simulation of the RTE in a three-dimensional head model based on clinical MRI

Barnett, Alex

327

Apparent Diffusion Coefficients in the Evaluation of High-grade Cerebral Gliomas

BACKGROUND AND PURPOSE: Preliminary data indicate that apparent diffusion coeffi- cient (ADC) values may be useful in identifying and grading primary cerebral tumors. We tested the hypothesis that ADC values can be used to differentiate tumor, edema, and normal brain tissue. METHODS: Fifteen patients with high-grade cerebral astrocytomas underwent conventional MR imaging, diffusion-weighted MR imaging, and proton MR spectroscopy. We

Mauricio Castillo; J. Keith Smith; Lester Kwock; Kathy Wilber

328

For suspensions of permeable particles, the short-time translational and rotational self-diffusion coefficients, and collective diffusion and sedimentation coefficients are evaluated theoretically. An individual particle is modeled as a uniformly permeable sphere of a given permeability, with the internal solvent flow described by the Debye-Bueche-Brinkman equation. The particles are assumed to interact non-hydrodynamically by their excluded volumes. The virial expansion of the transport properties in powers of the volume fraction is performed up to the two-particle level. The first-order virial coefficients corresponding to two-body hydrodynamic interactions are evaluated with very high accuracy by the series expansion in inverse powers of the inter-particle distance. Results are obtained and discussed for a wide range of the ratio, x, of the particle radius to the hydrodynamic screening length inside a permeable sphere. It is shown that for x >= 10, the virial coefficients of the transport properties are well-approximated by the hydrodynamic radius (annulus) model developed by us earlier for the effective viscosity of porous-particle suspensions.

Bogdan Cichocki; Maria L. Ekiel-Jezewska; G. Naegele; E. Wajnryb

2011-01-23

329

Purpose Quantitative quality control procedures were sought to evaluate technical variability in multi-center measurements of the diffusion coefficient of water as a prerequisite to use of the biomarker apparent diffusion coefficient (ADC) in multi-center clinical trials. Materials and Methods A uniform data acquisition protocol was developed and shared with 18 participating test sites along with a temperature-controlled diffusion phantom delivered to each site. Usable diffusion weighted imaging data of ice water at 5 b-values were collected on 35 clinical MRI systems from 3 vendors at 2 field strengths (1.5 and 3T) and analyzed at a central processing site. Results Standard deviation of bore-center ADCs measured across 35 scanners was <2%; error range: ?2% to +5% from literature value. Day-to-day repeatability of the measurements was within 4.5%. Intra-exam repeatability at the phantom center was within 1%. Excluding one outlier, inter-site reproducibility of ADC at magnet isocenter was within 3%, though variability increased for off-center measurements. Significant (>10%) vendor-specific and system-specific spatial non-uniformity ADC bias was detected for the off-center measurement that was consistent with gradient non-linearity. Conclusion Standardization of DWI protocol has improved reproducibility of ADC measurements and allowed identifying spatial ADC non-uniformity as a source of error in multi-site clinical studies. PMID:23023785

Malyarenko, Dariya; Galban, Craig J.; Londy, Frank J.; Meyer, Charles R.; Johnson, Timothy D.; Rehemtulla, Alnawaz; Ross, Brian D.; Chenevert, Thomas L.

2012-01-01

330

The local structure and the dynamics of molten LiF-KF mixtures have been studied by nuclear magnetic resonance (NMR) and molecular dynamics simulations. We have measured and calculated the self-diffusion coefficients of fluorine, lithium and potassium across the full composition range around the liquidus temperature and at 1123 K. Close to the liquidus temperature, D(F), D(Li) and D(K) change with composition in a way that mimics the phase diagram shape. At 1123 K D(F), D(Li) and D(K) depend linearly on the LiF molar fraction. These results show that the composition affects the self-diffusion of anions and cations more weakly than the temperature. The activation energy for diffusion was also determined and its value can be correlated with the strength of the anion-cation interaction in molten fluoride salts. PMID:20024421

Sarou-Kanian, Vincent; Rollet, Anne-Laure; Salanne, Mathieu; Simon, Christian; Bessada, Catherine; Madden, Paul A

2009-12-28

331

Measurements of the diffusion coefficient of silver 110-m in a nuclear grade graphite

in HTGRs. . . II. B Cesium Research. II. C Silver Research. 5 6 8 II. C. 1 Recognition of Importance of 110 m Ag II. C. 2 Current Work on 110 m Ag Diffusion in Structural Graphites. . . . . . . . . . . II. D Diffusion Theory. 10 10 II. D. 1... half life and temperature. I. B. 3 Genera' Atomics Silver Diffusion ~pro ram 110 m Cesium and Ag are considered to be the most important metallic fission products released from HTGRs. Core design calcula- tions have indicated that the largest...

McMillan, Thad Calhoun

2012-06-07

332

Promising recent investigations have shown that breast malignancies exhibit restricted diffusion on diffusion-weighted imaging (DWI) and may be distinguished from normal tissue and benign lesions in the breast based on differences in apparent diffusion coefficient (ADC) values. In this study, we assessed the influence of intravoxel fat signal on breast diffusion measures by comparing ADC values obtained using a diffusion-weighted single shot fast spin echo sequence with and without fat suppression. The influence of breast density on ADC measures was also evaluated. ADC values were calculated for both tumor and normal fibroglandular tissue in a group of twenty-one women with diagnosed breast cancer. There were systematic underestimations of ADC for both tumor and normal breast tissue due to intravoxel contribution from fat signal on non-fat-suppressed DWI. This ADC underestimation was more pronounced for normal tissue values (mean difference = 40%) than for tumors (mean difference = 27%, p<0.001) and was worse in women with low breast tissue density versus those with extremely dense breasts (p<0.05 for both tumor and normal tissue). Tumor conspicuity measured by contrast-to-noise ratio was significantly higher on ADC maps created with fat suppression and was not significantly associated with breast density. In summary, robust fat suppression is important for accurate breast ADC measures and optimal lesion conspicuity on DWI. PMID:21920686

Partridge, Savannah C.; Singer, Lisa; Sun, Ryan; Wilmes, Lisa J.; Klifa, Catherine; Lehman, Constance D.; Hylton, Nola M.

2011-01-01

333

Recent experimental work has shown that membranes containing aligned carbon nanotubes exhibit transport rates for gases and liquids that are orders of magnitude larger than rates predicted from Knudsen or hydrodynamic no-slip flow. We present atomically detailed simulations of diffusion of water and alkanes through single-walled carbon nanotubes. The self, corrected, and transported diffusivities are calculated for liquid-like densities of water and alkanes in nanotubes using equilibrium molecular dynamics, with thermodynamic correction factors computed from Monte Carlo adsorption isotherm calculations. We also present the zero-coverage diffusivities for these fluids. We discuss the results in comparison with bulk fluid self-diffusivities and experimental data for flow through nanotubes membranes.

Johnson, J.K.; Wang, Y.; Liu, J.-C.; Sholl, D.S.

2007-08-01

334

Upscaling methods for a class of convection diffusion equations with highly oscillating coefficients

NASA Astrophysics Data System (ADS)

This paper investigates the upscaling method to the following parabolic equation: ?tc+?·(uc)-?·(D?c)=f(x,t), which stems from the application of solute transport in porous media. Because of the highly oscillating permeability of the porous media, the Darcy velocity u hence the dispersion tensor D has many scales with high contrasts. Thus, how to calculate the macro-scale equivalent coefficients of the above equation becomes the target of this paper. A new upscaling method is proposed and studied via comparing with another upscaling method which was proposed in [Z. Chen, W. Deng, H. Ye, Discrete Contin. Dyn. Syst. 13 (2005), 941-960]. The two different equivalent coefficients computing formulations are based on the solutions of two different cell (local) problems, which one utilizes the elliptic operator with terms of all orders while the other only uses the second order term. Error estimates between the equivalent coefficients and the homogenized coefficients are given under the assumption that the oscillating coefficients are periodic (which is not required by the method). Numerical experiments are carried out for the periodic coefficients to demonstrate the accuracy of the proposed method. Moreover, the upscaling method is applied to solve the solute transport in a porous medium with a random log-normal relative permeability. The results show the efficiency and accuracy of the proposed method.

Deng, Weibing; Gu, Ji; Huang, Jianmin

2008-08-01

335

Background and Purpose—A method for identifying patients at increased risk for developing secondary hemorrhagic transformation (HT) after acute ischemic stroke could be of significant value, particularly in patients being considered for thrombolytic therapy. We hypothesized that diffusion-weighted MRI might aid in the identification of such patients. Methods—We retrospectively analyzed 17 patients with ischemic stroke who received diffusion-weighted MRI within 8

David C. Tong; Alessandro Adami; Michael E. Moseley; Michael P. Marks

2010-01-01

336

A diffusive sampler for chlorine gas which uses microporous membranes and a liquid collection medium was developed. The device is constructed from a 37-mm, polystyrene aerosol filter cassette and uses two Teflon® filters in series, 11 mm apart, as diffusion membranes. The inner filter is in contact with approximately 7 ml of aqueous 0.1 percent sulfamic acid solution. The outer

Roy J. Rando; Yehia Y. Hammad

1990-01-01

337

Blowout limit of a jet diffusion flame in a coflowing stream of lean gaseous fuel-air mixtures

The results of a combustor experiment investigating the blowout characteristics of a circular jet diffusion flame in the presence of fuel vapor in a surrounding coflowing stream are reported. For the pilot diffusion flame low velocity a range of jet diameters and discharge velocities were used at ambient initial temperature and pressure. The flammability limit of the premixed system of

G. A. Karim; I. Wierzba; M. Hanna

1984-01-01

338

Molecular diffusion is the dominant transport mechanism for contaminants in many saturated clay-rich aquitards. The effective coefficient of diffusion (Da) is traditionally determined by conducting laboratory tests on cm-scale core samples that may not be representative of the bulk geologic formation. Here we conducted the first long-term field based in situ diffusion experimentto compare the effect of experimental scale (5 x 10(-5) m3 in the diffusion cells and (5-20) x 10(-2) m3 in the in situ experiments) on De values for clay-rich aquitards. Using a conservative tracer (deuterium), our testing shows De values estimated from in situ testing ((2.5-3.5) x 10(-10) m2 s(-1)) are similar but lower than the average De values measured in the laboratory (4 x 10(-10) m2 s(-1)). The difference was attributed to greater porosity values in the laboratory samples resulting from core barrel extrusion and sample swelling. With representative core sampling and care, laboratory-based diffusion testing remains a viable method to assess solute transport mechanisms in clay aquitards. PMID:19764242

Hendry, M Jim; Barbour, S Lee; Boldt-Leppin, Brigitte E J; Reifferscheid, Laura J; Wassenaar, Leonard I

2009-09-01

339

The water self-diffusion coefficients in casein matrixes were measured using a pulsed field gradient spin-echo nuclear magnetic resonance technique (PFG-SE NMR). The dependence of the water self-diffusion coefficient on the casein concentration and the aqueous phase composition is reported in both a rehydrated native phosphocaseinate dispersion and a concentrated casein retentate. A model has been proposed to explain the different behavior of the water self-diffusion coefficient in the two casein systems. This model demonstrates that the water self-diffusion cannot be simply explained by the water content only. So, taking into account the specific effect of each constituent of the aqueous dispersing phase, the water self-diffusion reduction induced by the casein micelle can be modeled. The effect of fat on the water self-diffusion coefficients was investigated. Anhydrous milk fat-reconstituted retentate samples were used in order to estimate the obstruction effect of fat globules in the modeling process. The dependence of the self-diffusion coefficient of water on the fat and casein content is reported. A general model included the effect of the aqueous phase composition, and the obstruction effects of casein micelles and fat globules were proposed. This model was validated for water self-diffusion coefficients in industrial fatty retentates. PMID:15186127

Métais, Angélique; Cambert, Mireille; Riaublanc, Alain; Mariette, François

2004-06-16

340

NASA Astrophysics Data System (ADS)

We have developed a method to measure thermodiffusion and Fickian diffusion in transparent binary solutions. The measuring instrument consists of two orthogonally aligned phase-shifting interferometers coupled with a single rotating polarizer. This high-resolution interferometer, initially developed to measure isothermal diffusion coefficients in liquid systems [J. F. Torres, A. Komiya, E. Shoji, J. Okajima, and S. Maruyama, Opt. Lasers Eng. 50, 1287 (2012)], was modified to measure transient concentration profiles in binary solutions subject to a linear temperature gradient. A convectionless thermodiffusion field was created in a binary solution sample that is placed inside a Soret cell. This cell consists of a parallelepiped cavity with a horizontal cross-section area of 10 × 20 mm2, a variable height of 1-2 mm, and transparent lateral walls. The small height of the cell reduces the volume of the sample, shortens the measurement time, and increases the hydrodynamic stability of the system. An additional free diffusion experiment with the same optical apparatus provides the so-called contrast factors that relate the unwrapped phase and concentration gradients, i.e., the measurement technique is independent and robust. The Soret coefficient is determined from the concentration and temperature differences between the upper and lower boundaries measured by the interferometer and thermocouples, respectively. The Fickian diffusion coefficient is obtained by fitting a numerical solution to the experimental concentration profile. The method is validated through the measurement of thermodiffusion in the well-known liquid pairs of ethanol-water (ethanol 39.12 wt.%) and isobutylbenzene-dodecane (50.0 wt.%). The obtained coefficients agree with the literature values within 5.0%. Finally, the developed technique is applied to visualize biomolecular thermophoresis. Two protein aqueous solutions at 3 mg/ml were used as samples: aprotinin (6.5 kDa)-water and lysozyme (14.3 kDa)-water. It was found that the former protein molecules are thermophilic and the latter thermophobic. In contrast to previously reported methods, this technique is suitable for both short time and negative Soret coefficient measurements.

Torres, Juan F.; Komiya, Atsuki; Henry, Daniel; Maruyama, Shigenao

2013-08-01

341

Measuring the ratio of aqueous diffusion coefficients between [sup 6]Li[sup +]Cl[sup [minus

Osmotic equilibrium is a singular occurrence in the evolution of an osmotic cell because at this event the net solution flux is zero such that [minus]J[sub w] [center dot] [bar V][sub w] = J[sub s] [center dot] [bar V][sub s]. At this juncture, the diffusion coefficient of the solute through the membrane ([omega]) equals the solute flux (J[sub s]) divided by the osmotic pressure ([delta]II). Because the solute permeability coefficient ([omega]) is related to the Fickian diffusion coefficient (D) through the gas constant, temperature, and the membrane's thickness and tortuosity, the ratio of [omega] values for individual isotopic species equals the ratio of D values for the same isotopic components. A 0.9450 molal LiCl solution was placed within sealed dialysis tubing and osmoted against a kilogram of deionized water at 22C. Osmotic equilibrium occurred at 164 [plus minus] 10 min. The ratio of [omega][sub [sup 6]Li[sup +]Cl[sup [minus

Fritz, S.J. (Purdue Univ., West Lafayette, IN (United States))

1992-10-01

342

The radon exhalation rate at the earth's surface from soil or rock with radium as its source is the main mechanism behind the radon activity concentrations observed in both indoor and outdoor environments. During the last two decades, many subsurface radon transport models have used Rogers and Nielson's formula for modeling the unsaturated soil bulk radon diffusion coefficient. This formula uses an "air-filled effective porosity" to account for radon adsorption and radon dissolution in the groundwater. This formula is reviewed here, and its hypotheses are examined for accuracy in dealing with subsurface radon transport problems. The author shows its limitations by comparing one dimensional steady-state analytical solutions of the two-phase (air/water) transport equation (Fick's law) with Rogers and Nielson's formula. For radon diffusion-dominated transport, the calculated Rogers and Nielson's radon exhalation rate is shown to be unrealistic as it is independent of the values of the radon adsorption and groundwater dissolution coefficients. For convective and diffusive transport, radon exhalation rates calculated using Fick's law and this formula agree only for high values of gas-phase velocity and groundwater saturation. However, these conditions are not usually met in most shallow subsurface environments where radon migration takes place under low gas phase velocities and low water saturation. PMID:24670909

Saâdi, Zakaria

2014-05-01

343

NASA Astrophysics Data System (ADS)

The inclusion compounds between iron II lactate and three different cyclodextrins (CDs) were studied by means of experimental and theoretical data. The importance of iron II in the human metabolism effort the necessity of a minimum concentration to the human life. Malnutrition is one great problem in social politics of many countries on the world. The possibility to the development of novel medicines with the iron II species stable look for an increase on the efficiency for this kind of aid. Kinetics measurements confirm the possibility to stop the oxidation reaction. It was the first indication of efficient molecular encapsulation. Diffusion coefficient measurements were carried out by Taylor-Aris diffusion technique. The decrease of diffusion coefficients measured for iron II lactate when alone and forming the inclusion complexes was obtained for all hosts molecules used. Molecular Mechanics calculations were performed to elucidate the perfect arrange of iron II lactate inside CDs cavity. No great differences were obtained to the binding energy for the different hosts. Using the software HyperChem6.03v MM+, AMBER94 and OPLS Forced Fields for iron atom in two chemical environments (a) vacuum and (b) with addition of 250 water molecules (MM+). The solvent treatment was decisive to the order of stability. This order was ?-CD>?-CD>?-CD, the same order of solubility in water. The results contained in this work confirm the possibility to protect iron II lactate against oxidation.

Leite, Rosiley A.; Lino, Antonio C. S.; Takahata, Yuji

2003-01-01

344

Little is known about how small variations in ionic currents and Ca2+ and Na+ diffusion coefficients impact action potential and Ca2+ dynamics in rabbit ventricular myocytes. We applied sensitivity analysis to quantify the sensitivity of Shannon et al. model (Biophys. J., 2004) to 5%–10% changes in currents conductance, channels distribution, and ion diffusion in rabbit ventricular cells. We found that action potential duration and Ca2+ peaks are highly sensitive to 10% increase in L-type Ca2+ current; moderately influenced by 10% increase in Na+-Ca2+ exchanger, Na+-K+ pump, rapid delayed and slow transient outward K+ currents, and Cl? background current; insensitive to 10% increases in all other ionic currents and sarcoplasmic reticulum Ca2+ fluxes. Cell electrical activity is strongly affected by 5% shift of L-type Ca2+ channels and Na+-Ca2+ exchanger in between junctional and submembrane spaces while Ca2+-activated Cl?-channel redistribution has the modest effect. Small changes in submembrane and cytosolic diffusion coefficients for Ca2+, but not in Na+ transfer, may alter notably myocyte contraction. Our studies highlight the need for more precise measurements and further extending and testing of the Shannon et al. model. Our results demonstrate usefulness of sensitivity analysis to identify specific knowledge gaps and controversies related to ventricular cell electrophysiology and Ca2+ signaling. PMID:24222910

Lo, Yuan Hung; Peachey, Tom; Abramson, David; McCulloch, Andrew

2013-01-01

345

This report presents the results of field testing a horizontal well recirculation system at the Portsmouth Gaseous Diffusion Plant (PORTS). The recirculation system uses a pair of horizontal wells, one for groundwater extraction and treatment and the other for reinjection of treated groundwater, to set up a recirculation flow field. The induced flow field from the injection well to the extraction well establishes a sweeping action for the removal and treatment of groundwater contaminants. The overall purpose of this project is to study treatment of mixed groundwater contaminants that occur in a thin water-bearing zone not easily targeted by traditional vertical wells. The project involves several research elements, including treatment-process evaluation, hydrodynamic flow and transport modeling, pilot testing at an uncontaminated site, and pilot testing at a contaminated site. The results of the pilot test at an uncontaminated site, the Clean Test Site (CTS), are presented in this report.

Muck, M.T.; Kearl, P.M.; Siegrist, R.L. [and others] [and others

1998-08-01

346

Scaling invariance of the diffusion coefficient in a family of two-dimensional Hamiltonian mappings

by a negative power of the action and hence effectively uncorrelated for small actions, leading to a chaotic sea physics [8], while for = -1 a parti- cle bouncing on a vibrating plate [9] and closely related Chirikov, is effectively random, leading to strongly chaotic diffusion of J which can be described analyti- cally. Here we

Dettmann, Carl

347

Oxygen solubility and diffusivity in food are two key parameters to understand and quantify the impact of oxygen on food oxidation. A limiting step to the acquisition of these data is the availability and feasibility of methodologies to quantify oxygen content in food and especially in solid foods, even though some recent and significant progress has been made in this

C. Pénicaud; S. Peyron; N. Gontard; V. Guillard

2011-01-01

348

Oxygen solubility and diffusivity in food are two key parameters to understand and quantify the impact of oxygen on food oxidation. A limiting step to the acquisition of these data is the availability and feasibility of methodologies to quantify oxygen content in food and especially in solid foods, even though some recent and significant progress has been made in this

C. Pénicaud; S. Peyron; N. Gontard; V. Guillard

2012-01-01

349

. It uses near-infrared light and has the advantage of low cost and portability. The success of DOI optical imaging Anna Custo, William M. Wells III, Alex H. Barnett, Elizabeth M. C. Hillman, and David A model is a key capability for performing accurate inversion for functional diffuse optical imaging

350

NMR investigation of gaseous SF6 confinement into EPDM rubber.

The confinement process of gaseous sulphurhexafluoride (SF6) in ethylene-propylene-diene (EPDM) rubber was investigated by spectroscopic and spatially resolved NMR techniques. A strong elongation of T1 relaxation time of SF6 and a decrease of the diffusion coefficient were found. A possible explanation may be the strong restriction of molecular mobility due to interactions between SF6 and active centers of the EPDM. PMID:15833636

Neutzler, Sven; Terekhov, Maxim; Hoepfel, Dieter; Oellrich, Lothar Rainer

2005-02-01

351

We firstly measured the swelling of single trabeculae from human femur heads during water imbibition. Since the swelling is caused by water diffusing from external surfaces to the core of the sample, by measuring the sample swelling over time, we obtained direct information about the transport of fluids through the intimate constituents of bone, where the mineralization process takes place. We developed an apparatus to measure the free expansion of the tissue during the imbibition. In particular, we measured the swelling along three natural axes (length L, width W, and thickness T) of plate-like trabeculae. For this aim, we developed a 3D analytical model of the water uptake by the sample that was performed according to Fickian transport mechanism. The results were then utilized to predict the swelling over time along the three sample directions (L, W, T) and the apparent diffusion coefficients D T, D W, and D L. PMID:24967405

Marinozzi, Franco; Bini, Fabiano; Quintino, Alessandro; Corcione, Massimo; Marinozzi, Andrea

2014-01-01

352

Mathematical modelling was used to study the effect of process temperature on moisture and salt mass transfer during osmotic\\u000a dehydration (OD) of jumbo squid with 6% (w v\\u000a ?1) NaCl at 75, 85 and 95?°C. The diffusion coefficients for moisture and salt increased with temperature. Based on an Arrhenius-type\\u000a equation, activation energy values of 62.45 kJ mol?1 and 52.14 kJ mol?1 for moisture and

Elsa Uribe; Margarita Miranda; Antonio Vega-Gálvez; Issis Quispe; Rodrigo Clavería; Karina Di Scala

2011-01-01

353

During exocytosis, small quantities of neurotransmitters are released by the cell. These neurotransmitters can be detected quantitatively using electrochemical methods, principally with disk carbon fiber microelectrode amperometry. An exocytotic event then results in the recording of a current peak whose characteristic features are directly related to the mechanisms of exocytosis. We have compared two exocytotic peak populations obtained from PC12 cells with a disk carbon fiber microelectrode and with a pyrolyzed carbon ring microelectrode array, with a 500 nm ring thickness. The specific shape of the ring electrode allows for precise analysis of diffusion processes at the vicinity of the cell membrane. Peaks obtained with a ring microelectrode array show a distorted average shape, owing to increased diffusion pathways. This result has been used to evaluate the diffusion coefficient of dopamine at the surface of a cell, which is up to an order of magnitude smaller than that measured in free buffer. The lower rate of diffusion is discussed as resulting from interactions with the glycocalyx. PMID:23706095

Trouillon, Raphaël; Lin, Yuqing; Mellander, Lisa J; Keighron, Jacqueline D; Ewing, Andrew G

2013-07-01

354

Oxygen diffusion coefficients for Sr{sub 2}AlTaO{sub 6}: Ramifications on HTSC multilayer processing

The authors have studied the rate of oxygen diffusion through Sr{sub 2}AlTaO{sub 6} (SAT), a buffer and dielectric layer used in high critical temperature superconducting (HTSC) structures. An epitaxial bilayer film of SAT on YBa{sub 2}Cu{sub 3}O{sub 7{minus}{delta}} (YBCO) was deposited onto an (001) oriented single crystal LaAlO{sub 3} substrate using the pulsed laser deposition technique. The rate of oxygen diffusion through the bilayer was investigated over the temperature range 415 to 675 C by post deposition annealing individual sections of the bilayer in 1/3 atm of {sup 18}O enriched molecular oxygen gas. Secondary ion mass spectroscopy was used to depth profile {sup 18}O and {sup 16}O in each sample. Oxygen diffusion coefficients for SAT at 418, 510, 570 and 673 C were determined to be roughly (0.93, 6.31, 26.6 and 75.3) {times} 10{sup {minus}16} cm{sup 2} s{sup {minus}1}, respectively. Since these diffusion rates can limit oxygen intake into underlying YBCO films, SAT may be an inappropriate choice as a dielectric candidate for use in an HTSC multilayer device technology and will at best require development of suitable post annealing schemes to oxygenate underlying YBCO layers.

Tidrow, S.C.; Lareau, R.T.; Eckart, D.W.; Tauber, A.; Wilber, W.D.; Pfeffer, R.L.; Finnegan, R.D. [Army Research Lab., Fort Monmouth, NJ (United States); King, L.L.H.; Neal, M. [Conductus, Inc., Sunnyvale, CA (United States)

1996-11-01

355

From wax matrix dosage forms, drug and water-soluble polymer are released into the external solvent over time. As a consequence, the pore volume inside the wax matrix particles is increased and the diffusion coefficient of the drug is altered. In the present study, we attempted to derive a novel empirical mathematical model, namely, a time-dependent diffusivity (TDD) model, that assumes the change in the drug's diffusion coefficient can be used to predict the drug release from spherical wax matrix particles. Wax matrix particles were prepared by using acetaminophen (APAP), a model drug; glyceryl monostearate (GM), a wax base; and aminoalkyl methacrylate copolymer E (AMCE), a functional polymer that dissolves below pH 5.0 and swells over pH 5.0. A three-factor, three-level (3(3)) Box-Behnken design was used to evaluate the effects of several of the variables in the model formulation, and the release of APAP from wax matrix particles was evaluated by the paddle method at pH 4.0 and pH 6.5. When comparing the goodness of fit to the experimental data between the proposed TDD model and the conventional pure diffusion model, a better correspondence was observed for the TDD model in all cases. Multiple regression analysis revealed that an increase in AMCE loading enhanced the diffusion coefficient with time, and that this increase also had a significant effect on drug release behavior. Furthermore, from the results of the multiple regression analysis, a formulation with desired drug release behavior was found to satisfy the criteria of the bitter taste masking of APAP without lowering the bioavailability. That is to say, the amount of APAP released remains below 15% for 10 min at pH 6.5 and exceeds 90% within 30 min at pH 4.0. The predicted formulation was 15% APAP loading, 8.25% AMCE loading, and 400 ?m mean particle diameter. When wax matrix dosage forms were prepared accordingly, the predicted drug release behavior agreed well with experimental values at each pH level. Therefore, the proposed model is feasible as a useful tool for predicting drug release behavior, as well as for designing the formulation of wax matrix dosage forms. PMID:22405986

Nitanai, Yuta; Agata, Yasuyoshi; Iwao, Yasunori; Itai, Shigeru

2012-05-30

356

Optimal estimates of the diffusion coefficient of a single Brownian trajectory

Modern developments in microscopy and image processing are revolutionizing areas of physics, chemistry and biology as nanoscale objects can be tracked with unprecedented accuracy. The goal of single particle tracking is to determine the interaction between the particle and its environment. The price paid for having a direct visualization of a single particle is a consequent lack of statistics. Here we address the optimal way of extracting diffusion constants from single trajectories for pure Brownian motion. It is shown that the maximum likelihood estimator is much more efficient than the commonly used least squares estimate. Furthermore we investigate the effect of disorder on the distribution of estimated diffusion constants and show that it increases the probability of observing estimates much smaller than the true (average) value.

Denis Boyer; David S. Dean; Carlos Mejía-Monasterio; Gleb Oshanin

2012-03-22

357

Diffusion Coefficients and Structure Properties in the Pluronic F127\\/n?C4H9OH\\/H2O System

Diffusion coefficients of different aggregates in aqueous solutions formed by an amphiphilic block copolymer, Pluronic F127 (F127), were determined by cyclic voltammetry, and the critical micelle concentration (CMC, 4.31 × 10 mol L) of F127 was obtained. The added n?butanol facilitates the formation of micelles from the monomers of F127 and makes the critical micelle temperature (CMT) of F127 solutions decrease. The diffusion coefficient

Yuanhua Ding; Ying Wang; Rong Guo

2003-01-01

358

Diffusion Coefficients and Structure Properties of Triton X-100\\/ nC6H13OH\\/H2O System

The diffusion coefficients of Triton X-100 micelles with different shape are determined by cyclic voltammetry without any probe. The first CMC (3.2 × 10 mol-L) and the second CMC (1.3 × 10 mol-L) of Triton X-100 micelles arc obtained, and the mechanism of electrochemical reaction for Triton X-100 is deduced, When n-hexanol is added, the diffusion coefficient of Triton X-100

Rong Guo; Yuanhua Ding; Tianqing Liu

2000-01-01

359

MODELING OF DIFFUSION OF PLUTONIUM IN OTHER METALS AND OF GASEOUS SPECIES IN PLUTONIUM-BASED SYSTEMS

The research is aimed at developing and utilizing computational-modeling-based methodology to treat two major problems. The first of these is to be able to predict the diffusion of plutonium from the surface into the interior of another metal such as uranium or stainless steel (f...

360

Modeling of Diffusion of Plutonium in Other Metals and of Gaseous Species in Plutonium-Based Systems

Establish standards for temperature conditions under which plutonium, uranium, or neptunium from nuclear wastes permeates steel, with which it is in contact, by diffusion processes. The primary focus is on plutonium because of the greater difficulties created by the peculiarities of face-centered-cubic-stabilized (delta) plutonium (the form used in the technology generating the waste).

Bernard R. Cooper; Gayanath W. Fernando; S. Beiden; A. Setty; E.H. Sevilla

2004-07-02

361

NASA Astrophysics Data System (ADS)

We investigate the self-intermediate scattering function (SISF) in a three-dimensional (3D) cubic lattice fluid (interacting lattice gas) with attractive nearest-neighbor interparticle interactions at a temperature slightly above the critical one by means of Monte Carlo simulations. A special representation of SISF as an exponent of the mean tracer diffusion coefficient multiplied by the geometrical factor and time is considered to highlight memory effects that are included in time and wave-vector dependence of the diffusion coefficient. An analytical expression for the diffusion coefficient is suggested to reproduce the simulation data. It is shown that the particles' mean-square displacement is equal to the time integral of the diffusion coefficient. We make a comparison with the previously considered 2D system on a square lattice. The main difference with the two-dimensional case is that the time dependence of particular characteristics of the tracer diffusion coefficient in the 3D case cannot be described by exponentially decreasing functions, but requires using stretched exponentials with rather small values of exponents, of the order of 0.2. The hydrodynamic values of the tracer diffusion coefficient (in the limit of large times and small wave vectors) defined through SIFS simulation results agree well with the results of its direct determination by the mean-square displacement of the particles in the entire range of concentrations and temperatures.

Skarpalezos, Loukas; Argyrakis, Panos; Vikhrenko, Vyacheslav S.

2014-05-01

362

This paper presents, for ternary lysozyme-Na$_2$SO$_4$-water system, the thermodynamic data extracted from the measured values of four ternary diffusion coefficients and the Onsager reciprocal relations. The calculation for derivatives of solute chemical potentials with respect to solute molar concentrations was made using the method presented in \\cite{1}. This method is applicable to systems in which the molar concentration of one solute is very small compared to that of the other, like in our case. The approach is illustrated for the lysozyme chloride-Na$_2$SO$_4$-water system at 25$^o$ C, pH 4.5 and at 0.6 mM (8.6 mg/mL) lysozyme chloride and 0.1, 0.25, 0.5, 0.65, and 0.8 M Na$_2$SO$_4$ concentrations. The calculated solute chemical potential derivatives were used to compute the protein cation charge approximately. We also compute the diffusion Onsager coefficients $(L_{ij})_o$ for each composition at pH 4.5.

Buzatu, D; Buzatu, F D; Albright, J G

2004-01-01

363

A simple and versatile methodology has been developed for the simultaneous measurement of multiple concentration profiles of colourants in transparent microfluidic systems, using a conventional transmitted light microscope, a digital colour (RGB) camera and numerical image processing combined with multicomponent analysis. Rigorous application of the Beer-Lambert law would require monochromatic probe conditions, but in spite of the broad spectral bandwidths of the three colour channels of the camera, a linear relation between the measured optical density and dye concentration is established under certain conditions. An optimised collection of dye solutions for the quantitative optical microscopic characterisation of microfluidic devices is proposed. Using the methodology for optical concentration measurement we then implement and validate a simplified and robust method for the microfluidic measurement of diffusion coefficients using an H-filter architecture. It consists of measuring the ratio of the concentrations of the two output channels of the H-filter. It enables facile determination of the diffusion coefficient, even for non-fluorescent molecules and nanoparticles, and is compatible with non-optical detection of the analyte. PMID:22228225

Werts, Martinus H V; Raimbault, Vincent; Texier-Picard, Rozenn; Poizat, Rémi; Français, Olivier; Griscom, Laurent; Navarro, Julien R G

2012-02-21

364

. We present first elements of kinetic theory appropriate\\u000a to the inhomogeneous phase of the Hamiltonian Mean Field (HMF)\\u000a model. In particular, we investigate the case of strongly\\u000a inhomogeneous distributions for T?0 and exhibit\\u000a curious behaviour of the force auto-correlation function and\\u000a friction coefficient. The temporal correlation function of the\\u000a force has an oscillatory behaviour which averages to zero over a

P. H. Chavanis

2006-01-01

365

NASA Astrophysics Data System (ADS)

Diffusion cell experiments were conducted to measure nonsorbing solute matrix diffusion coefficients in forty-seven different volcanic rock matrix samples from eight different locations (with multiple depth intervals represented at several locations) at the Nevada Test Site. The solutes used in the experiments included bromide, iodide, pentafluorobenzoate (PFBA), and tritiated water ( 3HHO). The porosity and saturated permeability of most of the diffusion cell samples were measured to evaluate the correlation of these two variables with tracer matrix diffusion coefficients divided by the free-water diffusion coefficient ( Dm/ D*). To investigate the influence of fracture coating minerals on matrix diffusion, ten of the diffusion cells represented paired samples from the same depth interval in which one sample contained a fracture surface with mineral coatings and the other sample consisted of only pure matrix. The log of ( Dm/ D*) was found to be positively correlated with both the matrix porosity and the log of matrix permeability. A multiple linear regression analysis indicated that both parameters contributed significantly to the regression at the 95% confidence level. However, the log of the matrix diffusion coefficient was more highly-correlated with the log of matrix permeability than with matrix porosity, which suggests that matrix diffusion coefficients, like matrix permeabilities, have a greater dependence on the interconnectedness of matrix porosity than on the matrix porosity itself. The regression equation for the volcanic rocks was found to provide satisfactory predictions of log( Dm/ D*) for other types of rocks with similar ranges of matrix porosity and permeability as the volcanic rocks, but it did a poorer job predicting log( Dm/ D*) for rocks with lower porosities and/or permeabilities. The presence of mineral coatings on fracture walls did not appear to have a significant effect on matrix diffusion in the ten paired diffusion cell experiments.

Reimus, Paul W.; Callahan, Timothy J.; Ware, S. Doug; Haga, Marc J.; Counce, Dale A.

2007-08-01

366

The binary infinite dilute diffusion coefficients, D??(?), of some alkylbenzenes (Ph-C(n), from Ph-H to Ph-C12) from 313 K to 333 K at 15 MPa in supercritical carbon dioxide (scCO2) have been studied by molecular dynamics (MD) simulation. The MD values agree well with the experimental ones, which indicate MD simulation technique is a powerful way to predict and obtain diffusion coefficients of solutes in supercritical fluids. Besides, the local structures of Ph-C(n)/CO2 fluids are further investigated by calculating radial distribution functions and coordination numbers. It qualitatively convinces that the first solvation shell of Ph-C(n) in scCO2 is significantly influenced by the structure of Ph-C(n) solute. Meanwhile, the mean end-to-end distance, the mean radius of gyration and dihedral angle distribution are calculated to gain an insight into the structural properties of Ph-C(n) in scCO2. The abnormal trends of radial distribution functions and coordination numbers can be reasonably explained in term of molecular flexibility. Moreover, the computed results of dihedral angle clarify that flexibility of long-chain Ph-C(n) is the result of internal rotation of C-C single bond (?(c-c)) in alkyl chain. It is interesting that compared with n-alkane, because of the existence of benzene ring, the flexibility of alkyl chain in Ph-C(n) with same carbon atom number is significantly reduced, as a result, the carbon chain dependence of diffusion behaviors for long-chain n-alkane (n ? 5) and long-chain Ph-C(n) (n ? 4) in scCO2 are different. PMID:24628176

Wang, Jinyang; Zhong, Haimin; Feng, Huajie; Qiu, Wenda; Chen, Liuping

2014-03-14

367

NASA Astrophysics Data System (ADS)

The binary infinite dilute diffusion coefficients, D_{12}^infty, of some alkylbenzenes (Ph-Cn, from Ph-H to Ph-C12) from 313 K to 333 K at 15 MPa in supercritical carbon dioxide (scCO2) have been studied by molecular dynamics (MD) simulation. The MD values agree well with the experimental ones, which indicate MD simulation technique is a powerful way to predict and obtain diffusion coefficients of solutes in supercritical fluids. Besides, the local structures of Ph-Cn/CO2 fluids are further investigated by calculating radial distribution functions and coordination numbers. It qualitatively convinces that the first solvation shell of Ph-Cn in scCO2 is significantly influenced by the structure of Ph-Cn solute. Meanwhile, the mean end-to-end distance, the mean radius of gyration and dihedral angle distribution are calculated to gain an insight into the structural properties of Ph-Cn in scCO2. The abnormal trends of radial distribution functions and coordination numbers can be reasonably explained in term of molecular flexibility. Moreover, the computed results of dihedral angle clarify that flexibility of long-chain Ph-Cn is the result of internal rotation of C-C single bond (?c-c) in alkyl chain. It is interesting that compared with n-alkane, because of the existence of benzene ring, the flexibility of alkyl chain in Ph-Cn with same carbon atom number is significantly reduced, as a result, the carbon chain dependence of diffusion behaviors for long-chain n-alkane (n ? 5) and long-chain Ph-Cn (n ? 4) in scCO2 are different.

Wang, Jinyang; Zhong, Haimin; Feng, Huajie; Qiu, Wenda; Chen, Liuping

2014-03-01

368

The diffusion coefficient (Dm) and material/air partition coefficient (K) are two key parameters characterizing the formaldehyde and volatile organic compounds (VOC) sorption behavior in building materials. By virtue of the sorption process in airtight chamber, this paper proposes a novel method to measure the two key parameters, as well as the convective mass transfer coefficient (hm). Compared to traditional methods, it has the following merits: (1) the K, Dm and hm can be simultaneously obtained, thus is convenient to use; (2) it is time-saving, just one sorption process in airtight chamber is required; (3) the determination of hm is based on the formaldehyde and VOC concentration data in the test chamber rather than the generally used empirical correlations obtained from the heat and mass transfer analogy, thus is more accurate and can be regarded as a significant improvement. The present method is applied to measure the three parameters by treating the experimental data in the literature, and good results are obtained, which validates the effectiveness of the method. Our new method also provides a potential pathway for measuring hm of semi-volatile organic compounds (SVOC) by using that of VOC. PMID:23145156

Xiong, Jianyin; Huang, Shaodan; Zhang, Yinping

2012-01-01

369

NASA Astrophysics Data System (ADS)

This paper is devoted to a statistical analysis of the fluctuations of velocity and acceleration produced by a random distribution of point vortices in two-dimensional turbulence. We show that the velocity probability density function PDF behaves in a manner which is intermediate between Gaussian and Lévy laws, while the distribution of accelerations is governed by a Cauchy law. Our study accounts properly for a spectrum of circulations among the vortices. In the case of real vortices (with a finite core), we show analytically that the distribution of accelerations makes a smooth transition from Cauchy (for small fluctuations) to Gaussian (for large fluctuations), probably passing through an exponential tail. We introduce a function T(V) which gives the typical duration of a velocity fluctuation V; we show that T(V) behaves like V and V-1 for weak and large velocities, respectively. These results have a simple physical interpretation in the nearest neighbor approximation, and in Smoluchowski theory concerning the persistence of fluctuations. We discuss the analogies with respect to the fluctuations of the gravitational field in stellar systems. As an application of these results, we determine an approximate expression for the diffusion coefficient of point vortices. When applied to the context of freely decaying two-dimensional turbulence, the diffusion becomes anomalous and we establish a relationship ?=1+(?/2) between the exponent of anomalous diffusion ? and the exponent ? which characterizes the decay of the vortex density.

Chavanis, Pierre-Henri; Sire, Clément

2000-07-01

370

Ternary solution isothermal mutual diffusion coefficients (interdiffusion coefficients) have been measured for aqueous mixtures of 0.250 mol-dm-3 sucrose (component 1) with 0.5 and 1.0 mol-dm-3 NaCl or with 0.5 and 1.0 mol-dm-3 KCl (salt = component 2) at 25.00°C using Rayleigh interferometry with computerized data acquisition. Densities were also measured. The volume-fixed diffusion coefficients (Dij)V show the following characteristics. At

Michelle C. Yang; John G. Albright; Joseph A. Rard; Donald G. Miller

1998-01-01

371

Accurate values of diffusion coefficients for carbon dioxide in water and brine at reservoir conditions are essential to our understanding of transport behavior of carbon dioxide in subsurface pore space. However, the experimental data are limited to conditions at low temperatures and pressures. In this study, diffusive transfer of carbon dioxide in water at pressures up to 45 MPa and temperatures from 268 to 473 K was observed within an optical capillary cell via time-dependent Raman spectroscopy. Diffusion coefficients were estimated by the least-squares method for the measured variations in carbon dioxide concentration in the cell at various sample positions and time. At the constant pressure of 20 MPa, the measured diffusion coefficients of carbon dioxide in water increase with increasing temperature from 268 to 473 K. The relationship between diffusion coefficient of carbon dioxide in water [D(CO2) in m2/s] and temperature (T in K) was derived with Speedy–Angell power-law approach as: D(CO2)=D0[T/Ts-1]m where D0 = 13.942 × 10?9 m2/s, Ts = 227.0 K, and m = 1.7094. At constant temperature, diffusion coefficients of carbon dioxide in water decrease with pressure increase. However, this pressure effect is rather small (within a few percent).

Lu, Wanjun; Guo, Huirong; Chou, I. M.; Burruss, R. C.; Li, Lanlan

2013-01-01

372

A new approach is presented for the measurement of the self-diffusion coefficients of molecules in solution. It has been applied to metabolites in biofluids such as seminal and blood plasma at physiological temperature. The method is based on the double-gradient-spin-echo pulse sequence in which CPMG and bipolar gradient pulses have been implemented. The double-gradient spin-echo is shown to be useful in reducing the thermal convection that can cause over-estimation of the diffusion coefficients. The multiple spin-echoes in association with the CPMG approach is also insensitive to background gradient artifacts. In addition, the CPMG sequence enables longer diffusion periods (up to seconds) to be used without phase distortion; therefore, the proposed method is suitable for determining the diffusion coefficients of small metabolites in biofluids, where the resonances of large molecules, such as proteins, are suppressed during the spin-echo period as a result of their fast relaxation. PMID:11510814

Zhang, X; Li, C G; Ye, C H; Liu, M L

2001-08-01

373

The relationship between the acoustic scattering characteristics of materials and the degree of diffusion in enclosed acoustic spaces has recently attracted considerable research attention. Hanyu [J. Acoust. Soc. Am. 128(3), 1140-1148 (2010)] introduced a theoretical framework, in which the diffusion time in an enclosure is expressed as a function of a material's average scattering coefficient. In this letter, a modification of this theory is proposed. The decay process of the sound energy through scattering is divided into discrete sub-processes, specifically, a purely scattering process, and alternating scattering and specular reflections. The behavior of each process is examined for different scattering coefficients. PMID:23297877

Omoto, Akira

2013-01-01

374

NASA Technical Reports Server (NTRS)

A simplified procedure is presented 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 simplified data processing procedure requires only 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. This information is useful in assessing the environmental impact of waste water discharges and for industrial plant siting.

James, W. P.

1971-01-01

375

We present results of theoretical description and numerical calculation of the dynamics of molecular liquids based on the Reference Interaction Site Model / Mode-Coupling Theory. They include the temperature-pressure(density) dependence of the translational diffusion coefficients and orientational relaxation times for acetonitrile and methanol in water at infinite dilution. Anomalous behavior, i.e. the increase in mobility with density, is observed for the orientational relaxation time of methanol, while acetonitrile does not show any deviations from the usual. This effect is in qualitative agreement with the recent data of MD simulation and with experimental measurements, which tells us that presented theory is a good candidate to explain such kind of anomalies from the microscopical point of view and with the connection to the structure of the molecules.

Kobryn, A E; Hirata, F

2005-01-01

376

Multispectral image analysis is a relatively promising field of research with applications in several areas, such as medical imaging and satellite monitoring. A considerable number of current methods of analysis are based on parametric statistics. Alternatively, some methods in computational intelligence are inspired by biology and other sciences. Here we claim that philosophy can be also considered as a source of inspiration. This work proposes the objective dialectical method (ODM): a method for classification based on the philosophy of praxis. ODM is instrumental in assembling evolvable mathematical tools to analyze multispectral images. In the case study described in this paper, multispectral images are composed of diffusion-weighted (DW) magnetic resonance (MR) images. The results are compared to ground-truth images produced by polynomial networks using a morphological similarity index. The classification results are used to improve the usual analysis of the apparent diffusion coefficient map. Such results proved that gray and white matter can be distinguished in DW-MR multispectral analysis and, consequently, DW-MR images can also be used to furnish anatomical information. PMID:19446434

Santos, W P; Assis, F M; Souza, R E; Santos Filho, P B; Lima Neto, F B

2009-09-01

377

Background Hepatic lesions often present diagnostic connundrums with conventional MR techniques. Hepatobiliary phase contrast-enhanced imaging with gadoxetic acid can aid in the characterization of such lesions. However, quantitative measures describing late-phase enhancement must be assessed relative to their accuracy of hepatic lesion classification. Purpose: To compare quantitative parameters in gadoxetic acid contrast-enhanced dynamic and hepatobiliary phase imaging versus apparent diffusion coefficients in hepatic lesion characterization. Material and Methods 57 patients with focal hepatic lesions on gadoxetic acid MR were included. Lesion enhancement at standard post-contrast time points and in the hepatobiliary phase (HB; 15 and 25 minutes post-contrast) was assessed via calculation of contrast (CR) and enhancement ratios (ER). Apparent diffusion coefficient (ADC) values were also obtained. Values for these parameters were compared among lesions and ROC analyses performed. Results: HB enhancement was greatest with FNH and adenomas. HB ER parameters but not HB CR could distinguish HCC from benign entities (0.9 ER ROC AUC versus 0.5 CR ROC AUC). There was no statistically significant difference found between the 15 and 25 minutes HB time points in detection of any lesion (p>0.4). ADC values were statistically significantly higher with hemangiomas (p<0.05) without greater accuracy in lesion detection relative to HB phase parameters. Conclusion Hepatobiliary phase gadoxetic acid contrast-enhanced MR characterizes focal hepatic lesions more accurately than ADC and conventional dynamic post-contrast time point enhancement parameters. ER values are generally superior to CR. No discernible benefit of 25 minute versus 15 minute delayed imaging is demonstrated. PMID:23805174

Morelli, John N.; Michaely, Henrik J.; Meyer, Mathias M.; Rustemeyer, Thassilo; Schoenberg, Stefan O.; Attenberger, Ulrike I.

2013-01-01

378

This study investigated the relationship between apparent diffusion coefficient (ADC) measures and dynamic contrast-enhanced magnetic resonance imaging (DCE-MRI) kinetics in breast lesions, and evaluated the relative diagnostic value of each quantitative parameter. Seventy-seven women with 100 breast lesions (27 malignant and 73 benign) underwent both DCE-MRI and diffusion weighted MRI (DWI). DCE-MRI kinetic parameters included peak initial enhancement, predominant delayed kinetic curve type (persistent, plateau or washout), and worst delayed kinetic curve type (washout>plateau>persistent). Associations between ADC and DCE-MRI kinetic parameters and predictions of malignancy were evaluated. Results showed that ADC was significantly associated with predominant curve type (ADC was higher for lesions exhibiting predominantly persistent enhancement compared to those exhibiting predominantly washout or plateau, p=0.006), but was not significantly associated with peak initial enhancement or worst curve type (p>0.05). Univariate analysis showed significant differences between benign and malignant lesions in both ADC (p<0.001) and worst curve (p =0.003). In multivariate analysis, worst curve type and ADC were significant independent predictors of benign versus malignant outcome and in combination produced the highest area under the ROC curve (AUC = 0.85, AUC=0.78 with 5-fold cross-validation). PMID:21254208

Partridge, SC; Rahbar, H; Murthy, R; Chai, X; Kurland, BF; DeMartini, WB; Lehman, CD

2011-01-01

379

NASA Astrophysics Data System (ADS)

Evidence from several previous studies indicated that apparent diffusion coefficient (ADC) map was likely to reveal brain regions belonging to the ischemic penumbra, that is, areas that may be at risk of infarction in a few hours following stroke onset. Trace map overcomes the anisotropic diffusions of ADC map, so it is superior for evaluation of an infarct involving white matter. Mean shift (MS) approach has been successfully used for image segmentation, particularly in brain MR images. The aim of the study was to develop a tool for rapid and reliable segmentation of infarct in human acute ischemic stroke based on the ADC and trace maps using the MS approach. In addition, a novel method of 3-dimensional visualization was presented to provide useful insights into volume datasets for clinical diagnosis. We applied the presented method to clinical data. The results showed that it was consistent, fast (about 8-10 minutes per subject) and indistinguishable from an expert using manual segmentation when used our tool.

Li, Meng; Ai, Lin; He, Huiguang; Zheng, Zuofeng; Lv, Bin; Li, Wenjing; Yi, Jianhua; Chen, Xuejiao

2009-10-01

380

An adequate oxygen supply is one of the most important factors needed in order to regenerate or engineer thick tissues or complex organs. To devise a method for maximizing the amount of oxygen available to cells, it is necessary to understand and to realistically predict oxygen transport within an engineered tissue. In this study, we focused on the fact that oxygen transport through a tissue-engineered scaffold may vary with time as cells proliferate. To confirm this viewpoint, effective oxygen diffusion coefficients (D(e)(,)(s)) of scaffolds were deduced from experimental measurements and simulations of oxygen-concentration profiles were performed using these D(e)(,)(s) values in a two-dimensional (2-D) perfusion model. The results of this study indicate that higher porosity, hydraulic permeability and interconnectivity of scaffolds with no cells are responsible for the prominent diffusion capability quantified using D(e)(,)(s). On the other hand, the D(e)(,)(s) of scaffolds with cells has a negative linear relationship with cell density. Cell proliferation with time leads to a significant decrease in oxygen concentration in the 2-D perfusion model. This result demonstrates the gradual restriction of oxygen transport in a porous scaffold during cell culture. Therefore, the realistic prediction of oxygen transport using a time-varying D(e)(,)(s) will provide an appropriate basis for designing optimal transport networks within a thick scaffold. PMID:21642022

Kang, Tae-Yun; Kang, Hyun-Wook; Hwang, Chang Mo; Lee, Sang Jin; Park, Jaesung; Yoo, James J; Cho, Dong-Woo

2011-09-01

381

MRI techniques have been developed that can noninvasively probe the apparent diffusion coefficient (ADC) of water via diffusion weighted MRI (DW-MRI). These methods have found much application in cancer where it is often found that the ADC within tumors is inversely correlated with tumor cell density, so that an increase in ADC in response to therapy can be interpreted as an imaging biomarker of positive treatment response. Dynamic contrast enhanced MRI (DCE-MRI) methods have also been developed and can noninvasively report on the extravascular extracellular volume fraction of tissues (denoted by ve). By conventional reasoning the ADC should therefore also be directly proportional to ve. Here we report measurements of both ADC and ve obtained from breast cancer patients at both 1.5T and 3.0T. The 1.5T data were acquired as part of normal standard-of-care, while the 3.0T data were obtained from a dedicated research protocol. We found no statistically significant correlation between ADC and ve for the 1.5T or 3.0T patient sets on either a voxel-by-voxel or ROI basis. These data, combined with similar results from other disease sites in the literature, may indicate that the conventional interpretation of either ADC, ve, or their relationship are not sufficient to explain experimental findings. PMID:21531106

Arlinghaus, Lori R.; Li, Xia; Rahman, A. Ridwan; Welch, E. Brian; Xu, Lei; Gore, John C.; Yankeelov, Thomas E.

2011-01-01

382

As part of a program intended to replace the present evaporative coolant at the gaseous diffusion plants (GDPs) with a non-ozone-depleting alternate, a series of investigations of the suitability of candidate substitutes in under way. One issue concerning a primary candidate, c-C4F8, is the possibility that it might produce the highly toxic perfluoroisobutylene (PFIB) in high temperature environments. This study was commissioned to determine the likelihood and severity of decomposition under two specific high temperature thermal environments, namely the use of a flame test for the presence of coolant vapors and welding in the presence of coolant vapors. The purpose of the study was to develop and evaluate available data to provide information that will allow the technical and industrial hygiene staff at the GDPs to perform appropriate safety evaluations and to determine the need for field testing or experimental work. The scope of this study included a literature search and an evaluation of the information developed therefrom. Part of that evaluation consists of chemical kinetics modeling of coolant decomposition in the two operational environments. The general conclusions are that PFIB formation is unlikely in either situation but that it cannot be ruled out completely under extreme conditions. The presence of oxygen, moisture, and combustion products will tend to lead to formation of oxidation products (COF2, CO, CO2, and HF) rather than PFIB.

Trowbridge, L.D.

1999-03-01

383

This report describes the field-scale demonstration performed as part of the project, In Situ Treatment of Mixed Contaminants in Groundwater. This project was a 3{1/2} year effort comprised of laboratory work performed at Oak Ridge National Laboratory and fieldwork performed at the US Department of Energy (DOE) Portsmouth Gaseous Diffusion Plant (PORTS). The overall goal of the project was to evaluate in situ treatment of groundwater using horizontal recirculation coupled with treatment modules. Specifically, horizontal recirculation was tested because of its application to thin, interbedded aquifer zones. Mixed contaminants were targeted because of their prominence at DOE sites and because they cannot be treated with conventional methods. The project involved several research elements, including treatment process evaluation, hydrodynamic flow and transport modeling, pilot testing at an uncontaminated site, and full-scale testing at a contaminated site. This report presents the results of the work at the contaminated site, X-701B at PORTS. Groundwater contamination at X-701B consists of trichloroethene (TCE) (concentrations up to 1800 mg/L) and technetium-998 (Tc{sup 99}) (activities up to 926 pCi/L).

Korte, N.; Muck, M.; Kearl, P.; Siegrist, R.; Schlosser, R.; Zutman, J. [Oak Ridge National Lab., TN (United States)] [Oak Ridge National Lab., TN (United States); Houk, T. [Lockheed Martin Energy Systems, Piketon, OH (United States). Portsmouth Gaseous Diffusion Plant] [Lockheed Martin Energy Systems, Piketon, OH (United States). Portsmouth Gaseous Diffusion Plant

1998-08-01

384

The development of a biological monitoring plan for the receiving streams of the Paducah Gaseous Diffusion Plant (PGDP) began in the late 1980s, because of an Agreed Order (AO) issued in September 1987 by the Kentucky Division of Water (KDOW). Five years later, in September 1992, more stringent effluent limitations were imposed upon the PGDP operations when the KDOW reissued Kentucky Pollutant Discharge Elimination System permit No. KY 0004049. This action prompted the US Department of Energy (DOE) to request a stay of certain limits contained in the permit. An AO is being negotiated between KDOW, the United States Enrichment Corporation (USEC), and DOE that will require that several studies be conducted, including this stream temperature evaluation study, in an effort to establish permit limitations. All issues associated with this AO have been resolved, and the AO is currently being signed by all parties involved. The proposed effluent temperature limit is 89 F (31.7C) as a mean monthly temperature. In the interim, temperatures are not to exceed 95 F (35 C) as a monthly mean or 100 F (37.8 C) as a daily maximum. This study includes detailed monitoring of instream temperatures, benthic macroinvertebrate communities, fish communities, and a laboratory study of thermal tolerances.

Roy, W.K.

1999-01-01

385

Section 121 of the Comprehensive Environmental Response, Compensation, and Liability Act (CERCLA) of 1980 specifies that remedial actions for cleanup of hazardous substances found at sites placed on the National Priorities List (NPL) by the US Environmental Protection Agency (EPA) must comply with applicable or relevant and appropriate requirements (ARARs) or standards under federal and state environmental laws. To date, the US Department of Energy (DOE) Paducah Gaseous Diffusion Plant (PGDP) has not been on the NPL. Although DOE and EPA have entered into an Administrative Consent Order (ACO), the prime regulatory authority for cleanup at PGDP will be the Resource Conservation and Recovery Act (RCRA). This report supplies a preliminary list of available federal and state ARARs that might be considered for remedial response at PGDP in the event that the plant becomes included on the NPL or the ACO is modified to include CERCLA cleanup. A description of the terms ``applicable`` and ``relevant and appropriate`` is provided, as well as definitions of chemical-, location-, and action-specific ARARS. ARARs promulgated by the federal government and by the state of Kentucky are listed in tables. In addition, the major provisions of RCRA, the Safe Drinking Water Act, the Clean Water Act, the Clean Air Act, and other acts, as they apply to hazardous and radioactive waste cleanup, are discussed.

Etnier, E.L.; Eaton, L.A. [Oak Ridge National Lab., TN (United States)

1992-03-01

386

Section 121 of the Comprehensive Environmental Response, Compensation, and Liability Act (CERCLA) of 1980 specifies that remedial actions for cleanup of hazardous substances found at sites placed on the National Priorities List (NPL) by the US Environmental Protection Agency (EPA) must comply with applicable or relevant and appropriate requirements (ARARs) or standards under federal and state environmental laws. To date, the US Department of Energy (DOE) Paducah Gaseous Diffusion Plant (PGDP) has not been on the NPL. Although DOE and EPA have entered into an Administrative Consent Order (ACO), the prime regulatory authority for cleanup at PGDP will be the Resource Conservation and Recovery Act (RCRA). This report supplies a preliminary list of available federal and state ARARs that might be considered for remedial response at PGDP in the event that the plant becomes included on the NPL or the ACO is modified to include CERCLA cleanup. A description of the terms applicable'' and relevant and appropriate'' is provided, as well as definitions of chemical-, location-, and action-specific ARARS. ARARs promulgated by the federal government and by the state of Kentucky are listed in tables. In addition, the major provisions of RCRA, the Safe Drinking Water Act, the Clean Water Act, the Clean Air Act, and other acts, as they apply to hazardous and radioactive waste cleanup, are discussed.

Etnier, E.L.; Eaton, L.A. (Oak Ridge National Lab., TN (United States))

1992-03-01

387

The US Department of Energy (DOE) must manage wastes containing polychlorinated biphenyls (PCBs) in accordance with Toxic Substances Control Act (TSCA) requirements and as prescribed in a Federal Facilities Compliance Agreement (FFCA) between DOE and the U.S. Environmental Protection Agency (EPA). PCB-containing wastes are currently stored in the PORTS process buildings where they are generated. DOE proposes to modify and expand the Waste Accountability facility (X-7725A) at the Portsmouth Gaseous Diffusion Plant (PORTS), Piketon, Ohio, to provide a central storage location for these wastes. The proposed action is needed to eliminate the fire and safety hazards presented by the wastes. In this EA, DOE considers four alternatives: (1) no action, which requires storing wastes in limited storage areas in existing facilities; (2) modifying and expanding the X-7725A waste accountability facility; (3) constructing a new PCB waste storage building; and (4) shipping PCB wastes to the K-25 TSCA incinerator. If no action is taken, PCB-contaminated would continue to be stored in Bldgs X-326, X-330, and X-333. As TSCA cleanup activities continue, the quantity of stored waste would increase, which would subsequently cause congestion in the three process buildings and increase fire and safety hazards. The preferred alternative is to modify and expand Bldg. X-7725A to store wastes generated by TSCA compliance activities. Construction, which could begin as early as April 1996, would last approximately five to seven months, with a total peak work force of 70.

NONE

1995-11-01

388

Dual wall reverse circulation (DWRC) drilling was used to drill 48 borings during a groundwater contaminant investigation at the Paducah Gaseous Diffusion Plant, Paducah, Kentucky. This method was selected as an alternative to conventional hollow stem auger drilling for a number of reasons, including the expectation of minimizing waste, increasing the drilling rate, and reducing the potential for cross contamination of aquifers. Groundwater samples were collected from several water-bearing zones during drilling of each borehole. The samples were analyzed for volatile organic compounds using a field gas chromatograph. This approach allowed the investigation to be directed using near-real-time data. Use of downhole geophysical logging, in conjunction with lithologic descriptions of borehole cuttings, resulted in excellent correlation of the geology in the vicinity of the contaminant plume. The total volume of cuttings generated using the DWRC drilling method was less than half of what would have been produced by hollow stem augering; however, the cuttings were recovered in slurry form and had to be dewatered prior to disposal. The drilling rate was very rapid, often approaching 10 ft/min; however, frequent breaks to perform groundwater sampling resulted in an average drilling rate of < 1 ft/min. The time required for groundwater sampling could be shortened by changing the sampling methodology. Analytical results indicated that the drilling method successfully isolated the various water bearing zones and no cross contamination resulted from the investigation.

Smuin, D.R.; Morti, E.E.; Zutman, J.L.; Pickering, D.A.

1995-08-01

389

The development of a biological monitoring plan for the receiving streams of the Paducah Gaseous Diffusion Plant (PGDP) began in the late 1980s, because of an Agreed Order (AO) issued in September 1987 by the Kentucky Division of Water (KDOW). Five years later, in September 1992, more stringent effluent limitations were imposed upon the PGDP operations when the KDOW reissued Kentucky Pollutant Discharge Elimination System permit No. KY 0004049. This action prompted the US Department of Energy (DOE) to request a stay of certain limits contained in the permit. An AO is being negotiated between KDOW, the US Enrichment Corporation (USEC), and DOE that will require that several studies be conducted, including this stream temperature evaluation study, in an effort to establish permit limitations. All issues associated with this AO have been resolved, and the AO is currently being signed by all parties involved. The proposed effluent temperature limit is 89 F (31.7 C) as a mean monthly temperature. In the interim, temperatures are not to exceed 95 F (35 C) as a monthly mean or 100 F (37.8 C) as a daily maximum. This study includes detailed monitoring of instream temperatures, benthic macroinvertebrate communities, fish communities, and a laboratory study of thermal tolerances.

Roy, W.K.; Ryon, M.G.; Hinzman, R.L. [Oak Ridge National Lab., TN (United States). Computer Science and Mathematics Div.

1996-03-01

390

The Paducah Gaseous Diffusion Plant C-400 Decontamination Facility generators aqueous solutions that originate in drum washing, machine parts and equipment cleaning, and other decontamination processes. In general, the waste contains uranyl, fluoride, carbonate, and nitrate ions, in addition to soaps, detergents, secondary contaminants, and particulate matter. The main contaminants are fluoride, technetium, uranium, and other heavy metals. In accordance with Department of Energy (DOE) Order 5400.5, the releases of radioactive materials must be as low as reasonably achievable and be below the derived concentration guide limits. To comply with the DOE order, an action plan was formulated. The action plan included a literature search to support best available technology evaluation of treatment alternatives, a quality assurance/quality control plan, suggestion of alternative treatment options, bench-scale test studies of the proposed treatment alternatives, and establishment of the final recommendation. Five major technologies were considered: precipitation/coprecipitation, reverse osmosis, ultrafiltration, supported liquid membranes, and ion exchange. Biosorption was also briefly considered. Based on C-400's requirements and facilities, the precipitation/coprecipitation process appears to be the best suited for use at the plant. Four different treatment options using the precipitation/coprecipitation technology were proposed. Bench-scale studies of all four options were suggested. Options 1 and 2 represent a combination of lime-softening and iron coprecipitation. Laboratory test evaluations were initiated and the results involving Options 1 and 2 reported here. 29 refs., 1 fig., 2 tabs.

Del Cul, G.D.

1991-02-01

391

NASA Astrophysics Data System (ADS)

In this paper, a molecular theory of self-diffusion coefficient is developed for polymeric liquids (melts) on the basis of the integral equation theory for site-site pair correlation functions, the generic van der Waals equation of state, and the modified free volume theory of diffusion. The integral equations supply the pair correlation functions necessary for the generic van der Waals equation of state, which in turn makes it possible to calculate the self-diffusion coefficient on the basis of the modified free volume theory of diffusion. A random distribution is assumed for minimum free volumes for monomers along the chain in the melt. More specifically, a stretched exponential is taken for the distribution function. If the exponents of the distribution function for minimum free volumes for monomers are chosen suitably for linear polymer melts of N monomers, the N dependence of the self-diffusion coefficient is N-1 for the small values of N, an exponent predicted by the Rouse theory, whereas in the range of 2.3?lnN?4.5 the N dependence smoothly crosses over to N-2, which is reminiscent of the exponent by the reptation theory. However, for lnN?4.5 the N dependence of the self-diffusion coefficient differs from N-2, but gives an N dependence, N(0diffusion becomes semiempirical, but once the parameters are chosen such that the N dependence of D can be successfully given for a polymer melt, the temperature dependence of the self-diffusion coefficient can be well predicted in comparison with experiment. The theory is satisfactorily tested against experimental and simulation data on the temperature dependence of D for polyethylene and polystyrene melts.

Sabbagh, Haidar; Eu, Byung Chan

2010-06-01

392

We developed a new computerized scheme for proper display of brain diffusion-weighted magnetic resonance images (DWIs) and apparent diffusion coefficient (ADC) maps based on density histogram analysis. In our scheme, DWI volumes and b0 image volumes of 44 cases were first created, and brain regions on DWI volumes were segmented. ADC map volumes were then derived from both volumes. The density histogram was determined from the brain regions on these volumes, and the voxel value corresponding to the maximum in the density histogram was determined for each volume. The display gray level for each of the two volumes was adjusted by setting the determined voxel value as window conditions. In a comparison between the existing manual method and our automated method, the variation in the gray levels was evaluated quantitatively. The variation in the average of the cross-correlation values determined for pairs of density histograms in each of the DWIs and ADC maps was 57.3 and 27.1 % with the existing method, respectively, and 7.7 and 2.7 % with our scheme, respectively, which indicated a more consistent display of images with our scheme. The performance of the two-alternative-forced-choice method for visual comparison of pairs of images in each of the DWIs and ADC maps adjusted by our scheme was judged to be better than those of the existing method by 75.1 % and 92.7 %, respectively. Our computerized scheme would be a promising technique for an accurate, prompt automated adjustment of display conditions in brain DWIs and ADC maps. PMID:23184445

Nagashima, Hiroyuki; Doi, Kunio; Ogura, Toshihiro; Fujita, Hiroshi

2013-01-01

393

Background We tested the feasibility of a simple method for assessment of prostate cancer (PCa) aggressiveness using diffusion-weighted magnetic resonance imaging (MRI) to calculate apparent diffusion coefficient (ADC) ratios between prostate cancer and healthy prostatic tissue. Methods The requirement for institutional review board approval was waived. A set of 20 standardized core transperineal saturation biopsy specimens served as the reference standard for placement of regions of interest on ADC maps in tumorous and normal prostatic tissue of 22 men with PCa (median Gleason score: 7; range, 6–9). A total of 128 positive sectors were included for evaluation. Two diagnostic ratios were computed between tumor ADCs and normal sector ADCs: the ADC peripheral ratio (the ratio between tumor ADC and normal peripheral zone tissue, ADC-PR), and the ADC central ratio (the ratio between tumor ADC and normal central zone tissue, ADC-CR). The performance of the two ratios in detecting high-risk tumor foci (Gleason 8 and 9) was assessed using the area under the receiver operating characteristic curve (AUC). Results Both ADC ratios presented significantly lower values in high-risk tumors (0.48?±?0.13 for ADC-CR and 0.40?±?0.09 for ADC-PR) compared with low-risk tumors (0.66?±?0.17 for ADC-CR and 0.54?±?0.09 for ADC-PR) (p?

2014-01-01

394

Objective We elected to analyze the correlation between the pre-treatment apparent diffusion coefficient (ADC) and the clinical, histological, and immunohistochemical status of rectal cancers. Materials and Methods Forty-nine rectal cancer patients who received surgical resection without neoadjuvant therapy were selected that underwent primary MRI and diffusion-weighted imaging (DWI). Tumor ADC values were determined and analyzed to identify any correlations between these values and pre-treatment CEA or CA19-9 levels, and/or the histological and immunohistochemical properties of the tumor. Results Inter-observer agreement of confidence levels from two separate observers was suitable for ADC measurement (k ?=? 0.775). The pre-treatment ADC values of different T stage tumors were not equal (p ?=? 0.003). The overall trend was that higher T stage values correlated with lower ADC values. ADC values were also significantly lower for the following conditions: tumors with the presence of extranodal tumor deposits (p ?=? 0.006) and tumors with CA19-9 levels ? 35 g/ml (p ?=? 0.006). There was a negative correlation between Ki-67 LI and the ADC value (r ?=? ?0.318, p ?=? 0.026) and between the AgNOR count and the ADC value (r ?=? ?0.310, p ?=? 0.030). Conclusion Significant correlations were found between the pre-treatment ADC values and T stage, extranodal tumor deposits, CA19-9 levels, Ki-67 LI, and AgNOR counts in our study. Lower ADC values were associated with more aggressive tumor behavior. Therefore, the ADC value may represent a useful biomarker for assessing the biological features and possible relationship to the status of identified rectal cancers. PMID:25303288

Sun, Yiqun; Tong, Tong; Cai, Sanjun; Bi, Rui; Xin, Chao; Gu, Yajia

2014-01-01

395

Diffusion length variation and proton damage coefficients for InP/In(x)Ga(1-x)As/GaAs solar cells

NASA Technical Reports Server (NTRS)

Indium phosphide solar cells are more radiation resistant than gallium arsenide and silicon solar cells, and their growth by heteroepitaxy offers additional advantages leading to the development of lighter, mechanically strong and cost-effective cells. Changes in heteroepitaxial InP cell efficiency under 0.5 and 3 MeV proton irradiations are explained by the variation in the minority-carrier diffusion length. The base diffusion length versus proton fluence is calculated by simulating the cell performance. The diffusion length damage coefficient K(L) is plotted as a function of proton fluence.

Jain, R. K.; Weinberg, I.; Flood, D. J.

1993-01-01

396

NASA Technical Reports Server (NTRS)

A technique for measuring smoke plume of large industrial sources observed by satellite using LARSYS is proposed. A Gaussian plume model is described, integrated in the vertical, and inverted to yield a form for the lateral diffusion coefficient, Ky. Given u, wind speed; y sub l, the horizontal distance of a line of constant brightness from the plume symmetry axis a distance x sub l, downstream from reference point at x=x sub 2, y=0, then K sub y = u ((y sub 1) to the 2nd power)/2 x sub 1 1n (x sub 2/x sub 1). The technique is applied to a plume from a power plant at Chester, Virginia, imaged August 31, 1973 by LANDSAT I. The plume bends slightly to the left 4.3 km from the source and estimates yield Ky of 28 sq m/sec near the source, and 19 sq m/sec beyond the bend. Maximum ground concentrations are estimated between 32 and 64 ug/cu m. Existing meteorological data would not explain such concentrations.

Blais, R. N.; Copeland, G. E.; Lerner, T. H.

1975-01-01

397

NASA Astrophysics Data System (ADS)

We investigate how universal the collective behavior, due to the many-body interactions in polydisperse hard-sphere systems, is at higher volume fractions. We perform two types of computer simulations, a Brownian-dynamics simulation on colloidal suspensions of hard spheres, where the hydrodynamic interactions between particles are neglected, and a molecular-dynamic simulation on atomic systems of hard spheres. Thus, we show that the long-time self-diffusion coefficients DSL in both systems become singular as DSL( ?)?(1- ?/ ?c) 2 because of the collective interactions due to the many-body collision processes, where ? is a particle volume fraction and ?c?0.586 for 6% polydispersity. Although DSL exhibits the same singular behavior as that obtained theoretically for the monodisperse suspension with the hydrodynamic interactions, no liquid-glass transition is found because even the polydisperse hard-sphere systems crystallize without the hydrodynamic interactions for all ? above the melting volume fraction, which is lower than ?c.

Tokuyama, Michio; Yamazaki, Hiroyuki; Terada, Yayoi

2003-10-01

398

A new method based on Taylor dispersion has been developed that enables an analyte gradient to be titrated over a ligand-coated surface for kinetic/affinity analysis of interactions from a minimal number of injections. Taylor dispersion injections generate concentration ranges in excess of four orders of magnitude and enable the analyte diffusion coefficient to be reliably estimated as a fitted parameter when fitting binding interaction models. A numerical model based on finite element analysis, Monte Carlo simulations, and statistical profiling were used to compare the Taylor dispersion method with standard fixed concentration injections in terms of parameter correlation, linearity of parameter error space, and global versus local model fitting. A dramatic decrease in parameter correlations was observed for TDi curves relative to curves from standard fixed concentration injections when surface saturation was achieved. In FCI the binding progress is recorded with respect to injection time, whereas in TDi the second time dependency encoded in the analyte gradient increases resolving power. This greatly lowers the dependence of all parameters on each other and on experimental interferences. When model parameters were fitted locally, the performance of TDis remained comparable to global model fitting, whereas fixed concentration binding response curves yielded unreliable parameter estimates. PMID:22197421

Quinn, John G

2012-02-15

399

Objective Apparent diffusion coefficients (ADC) can help differentiate between central nervous system (CNS) lymphoma and Glioblastoma (GBM). However, overlap between ADCs for GBM and lymphoma have been reported because of various region of interest (ROI) methods. Our aim is to explore ROI method to provide the most reproducible results for differentiation. Materials and Methods We studied 25 CNS lymphomas and 62 GBMs with three ROI methods: (1) ROI1, whole tumor volume; (2) ROI2, multiple ROIs; and (3) ROI3, a single ROI. Interobserver variability of two readers for each method was analyzed by intraclass correlation(ICC). ADCs were compared between GBM and lymphoma, using two-sample t-test. The discriminative ability was determined by ROC analysis. Results ADCs from ROI1 showed most reproducible results (ICC >0.9). For ROI1, ADCmean for lymphoma showed significantly lower values than GBM (p?=?0.03). The optimal cut-off value was 0.98×10?3 mm2/s with 85% sensitivity and 90% specificity. For ROI2, ADCmin for lymphoma was significantly lower than GBM (p?=?0.02). The cut-off value was 0.69×10?3 mm2/s with 87% sensitivity and 88% specificity. Conclusion ADC values were significantly dependent on ROI method. ADCs from the whole tumor volume had the most reproducible results. ADCmean from the whole tumor volume may aid in differentiating between lymphoma and GBM. However, multi-modal imaging approaches are recommended than ADC alone for differentiation. PMID:25393543

Ahn, Sung Jun; Shin, Hyun Joo; Chang, Jong-Hee; Lee, Seung-Koo

2014-01-01

400

Purpose To investigate the association between Apparent Diffusion Coefficient (ADC) values and cell cycle and proliferative biomarkers (p53, p21, Ki67,) in order to establish its potential role as a noninvasive biomarker for prediction of cell cycle, proliferative activity and biological aggressiveness in bladder cancer. Materials and Methods Patients with bladder cancer who underwent 3,0 Tesla DW-MRI of the bladder before TUR-B or radical cystectomy were eligible for this prospective IRB-approved study. Histological specimen were immunohistochemically stained for the following markers: p53, p21 and ki67. Two board-certified uropathologists reviewed the specimens blinded to DW-MRI results. Histological grade and T-stage were classified according to the WHO 2004 and the 2009 TNM classification, respectively. Nonparametric univariate and multivariate statistics including correlation, logistic regression and ROC analysis were applied. Results Muscle invasive bladder cancer was histologically confirmed in 10 out of 41 patients. All examined tissue biomarkers were significantly correlated with ADC values (p<0.05, respectively). Based on multivariate analysis, p53 and ADC are both independent prognostic factors for muscle invasiveness of bladder cancer (>/?=?T2). (p?=?0.013 and p?=?0.018). Conclusion ADC values are associated with cell cycle and proliferative biomarkers and do thereby reflect invasive and proliferative potential in bladder cancer. ADC and p53 are both independent prognostic factors for muscle invasiveness in bladder cancer. PMID:25202965

Sevcenco, Sabina; Haitel, Andrea; Ponhold, Lothar; Susani, Martin; Fajkovic, Harun; Shariat, Shahrokh F.; Hiess, Manuela; Spick, Claudio; Szarvas, Tibor; Baltzer, Pascal A. T.

2014-01-01