3a05 Molecular Dynamics simulation of gaseous diffusion in smectic LC membranes

Abstract

The diffusion of small gas molecules in smectic LC films is examined by Molecular Dynamic (MD) Simulation. When the solute molecules are smaller than the solvent constituents, the diffusion is known to deviate from Stokes-Einstein's law, which cannot be described by any general equations. We carried the MD simulation of the gaseous motion in smectic membranes and comparedto some experimental results.