Fluids in Porous Media. Final Report, February 1993

摘要

First, second and third generation models of microporous activated carbonadsorbents were tested and compared with experiment. Isotherms, isosteric heats, selectivities, and configurational properties (energy and density distributions) were calculated by grand canonical ensemble Monte Carlo (GCMC) simulation. The simulations yielded a result of 220 V/V for the theoretical capacity of monolithic porous carbon. The figure is a theoretical but unattainable limit, as it refers to an adsorbent with a uniform, optimum pore size, containing no mesopores, no macropores, and no void space.