Tomadakis Manolis M, Robertson Teri J
Department of Chemical Engineering, Florida Institute of Technology, Melbourne, Florida 32901-6975, USA.
J Chem Phys. 2005 Mar 1;122(9):094711. doi: 10.1063/1.1854130.
Computer simulation results are presented for the mean survival time, principal relaxation time, mean pore size, and mean square pore size, for random porous structures consisting of parallel nonoverlapping or partially overlapping fibers. The numerical procedure is based on a discrete step-by-step random walk mechanism simulating the Brownian diffusion trajectories of molecules in the porous media. Numerical results on the viscous permeability of these structures are computed with a method based on electrical conduction principles and compared to a variational bound derived from the mean survival time. The results show that nonoverlapping fiber structures exhibit lower values of the dimensionless mean survival time, principal relaxation time, mean pore size, and mean square pore size than randomly overlapping fiber structures of the same porosity, while partially overlapping fiber structures show behavior intermediate to those of the two extreme cases. The mean square pore size (second moment of the pore size distribution) is found to be a very good predictor of the mean survival time for non-, partially, and randomly overlapping fiber structures. Dimensionless groups representing the deviation of variational bounds from our simulation results vary in practically the same range as the corresponding values reported earlier for beds of spherical particles. A universal scaling expression of the literature relating the mean survival time to structural properties [S. Torquato and C. L. Y. Yeong, J. Chem. Phys. 106, 8814 (1997)] agrees very well with our results for all examined fiber structures, thus validated for the first time for porous media formed by partially overlapping particles. The permeability behavior of partially overlapping fiber structures resembles that of nonoverlapping fiber structures for flow parallel to the fibers, but not for transverse flow, where percolation phenomena prevail. The permeability results for beds of unidirectional partially overlapping fibers of moderate and low hard-core porosity compliment successfully earlier numerical data on the permeability of similar structures originating from high-porosity beds of nonoverlapping fibers.
