THERMODYNAMIC AND TRANSPORT-PROPERTIES OF FLUIDS IN PERMEABLE MICROPORES

Computer simulation studies have been carried out to examine the behav ior of fluids in confined geometries, such as slit pores and tubular p ores, using a new technique based on the microcanonical molecular dyna mics method. The method allows the permeability of the pore wall to be precisely controlled, while maintaining the atomic nature of the wall . A wide range of static and dynamic properties have been investigated , including properties such as, density profiles, anisotropic diffusio n coefficients, wall permeabilities, etc., that are normally used to c haracterize such systems.