Adsorption in Controlled-Pore Glasses:Comparison of Molecular Simulations with a Mean-Field Lattice Gas Model

摘要

We consider the possible quantitative application of a lattice-gas model approach to the calculation of adsorption isotherms.In order to validate such application,we use the lattice-gas approach to solve for the adsorption and desorption isotherms in model controlled-pore glasses that have previously been the subject of an extensive series of Grand Canonical Monte Carlo simulations.We find that the lattice-gas model augmented with longer-ranged interactions provides a quite good account of adsorption in some of these systems for appropriate choice of several system parameters,but that the quality of agreement depends on the pore size of the material.