Applied Surface Science, Vol.196, No.1-4, 71-80, 2002
Lattice-gas model in equilibrium, kinetic and dynamic problems of adsorption
The lattice-gas model takes into account size of molecules and molecular interactions. The model covers a wide range of changes of fluid density and temperature, including the critical area. Improvements of the lattice-gas model are discussed. How: (1) to modify the cooperative properties of adsorbate systems with help of lattice softness; (2) to simplify h continuous variant of the quasi-chemical approximation with help of the model of excluded volume of the molecules; (3) to increase the accuracy of calculations in the area of critical point with help of a calibration function. These modifications improve accuracy taking into account phase states of adsorbates which are needed for determining equilibrium and kinetic adsorption characteristics. The given model has a very important peculiarity, that it gives a self-consistent description of the equilibrium and kinetic properties of any system if we allow for a direct correlation between the interacting molecules. This model has been used to investigate the phase diagrams for adsorbate condensation in narrow pores and to develop a new approach to an analysis of dynamic regimes of molecular flows, including capillary condensation. (C) 2002 Elsevier Science B.V. All rights reserved.
Keywords:molecular theory;lattice-gas model;narrow pores;phase transition;argon-carbon system;transport of molecules