DIFFUSION OF FINITE-SIZED BROWNIAN PARTICLES IN POROUS-MEDIA

被引:50
|
作者
KIM, IC
TORQUATO, S
机构
[1] N CAROLINA STATE UNIV, DEPT MECH & AEROSP ENGN, RALEIGH, NC 27695 USA
[2] N CAROLINA STATE UNIV, DEPT CHEM ENGN, RALEIGH, NC 27695 USA
来源
JOURNAL OF CHEMICAL PHYSICS | 1992年 / 96卷 / 02期
关键词
D O I
10.1063/1.462184
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The effective diffusion coefficient D(e) for porous media composed of identical obstacles of radius R in which the diffusing particles have finite radius beta-R (beta greater-than-or-equal-to 0) is determined by an efficient Brownian motion simulation technique. This is accomplished by first computing D(e) for diffusion of "point" Brownian particles in a certain system of interpenetrable spherical obstacles and then employing an isomorphism between D(e) for this interpenetrable sphere system and D(e) for the system of interest, i.e., the one in which the Brownian particles have radius beta-R. [S. Torquato, J. Chem. Phys. 95, 2838 (1991)]. The diffusion coefficient is computed for the cases beta = 1/9 and beta = 1/4 for a wide range of porosities and compared to previous calculations for point Brownian particles (beta = 0). The effect of increasing the size of the Brownian particle is to hinder the diffusion, especially at low porosities. A simple scaling relation enables one to compute the effective diffusion coefficient D(e) for finite beta given the result of D(e) for beta = 0.
引用
收藏
页码:1498 / 1503
页数:6
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