화학공학소재연구정보센터
Chemical Physics Letters, Vol.401, No.4-6, 430-434, 2005
Matrix computation of the statistical mechanics of a lattice model of multistep benzene adsorption isotherms in silicalite
An almost exact calculation of the statistical mechanics of a lattice model of benzene adsorption in the quasi one-dimensional pores of zeolites is presented. Our calculation attributes the experimentally observed steps in the level of adsorption with rising pressure, to re-orientational and positional transitions amongst molecules in the adsorbed phase. The model also satisfactorily reproduces the essential features of the very unusual temperature dependence of the isotherms. (C) 2004 Elsevier B.V. All rights reserved.