화학공학소재연구정보센터
AIChE Journal, Vol.47, No.2, 463-473, 2001
Critical behavior in quenched random structures: Mean-field lattice-gas approach
A new mean-field equation-of-state model is proposed for predicting the critical behavior of fluids confined by porous, random structures. The approach is based on a lattice-gas formalism and incorporates effects of both fluid confinement and energetically heterogeneous interactions between fluid molecules and pore surfaces. The model was used to predict a variety of thermodynamic properties in these systems, including the dependence of the confined fluid's critical properties on the porosity and relative strength of fluid-fluid and fluid-pore interaction energies. The study of surface-energy heterogeneities show that they significantly affect the critical temperature of the confined fluid, at a given porosity, compared to the uniform energy case. Comparison of the model performance with both grand canonical Monte Carlo simulation results and a set of adsorption data in a silica gel suggest that the approach taken here provides a useful analytic method for calculating physical properties in complex systems of this kind.