Monte Carlo calculation of effective diffusivities in two- and three-dimensional heterogeneous materials of variable structure

Authors

Mark R. Riley, University of Nebraska-LincolnFollow
Fernando J. Muzzio, Rutgers University - New Brunswick/Piscataway
Helen M. Buettner, Rutgers University - New Brunswick/Piscataway
Sebastian C. Reyes, Corporate Research Laboratories, Exxon Research and Engineering Company, Route 22 East, Annandale, New Jersey

Date of this Version

1994

Citation

PHYSICAL REVIEW E VOLUME 49, NUMBER 4 APRIL 1994

Comments

Copyright 1994 The American Physical Society

Abstract

A Monte Carlo technique that simulates tracer diffusion in multiphase materials of arbitrary complexity has been developed. Effective diffusivities are calculated for structures consisting of either overlapping or nonoverlapping inclusions with diffusivity D_c, distributed in a continuous phase with diffusivity D₀>D_c. Two-dimensional simulations for various values of D₀/D_c generate normalized diffusivities that correspond closely to their three-dimensional counterparts; they nearly collapse to a common curve when a simple scaling relation is applied.