Self-Diffusion Coefficient of Molecular Fluid in Porous Media
The paper deals with the molecular-dynamics simulation of the self-diffusion of fluid molecules in porous media using the hard-sphere potential. A study is made of the velocity autocorrelation functions of the molecules and dependences of the self-diffusion coefficient on the pore sizes, po-rosity, fluid density, and adsorption time.
Andreas Öchsner, Graeme E. Murch and João M.P.Q. Delgado
V. Andryuschenko and V. Rudyak, "Self-Diffusion Coefficient of Molecular Fluid in Porous Media", Defect and Diffusion Forum, Vols. 312-315, pp. 417-422, 2011