Statistical mechanics of a two-dimensional lattice model of benzene adsorption in zeolites

In this Letter, we present a mean field calculation of the statistical mechanics of a lattice model of benzene adsorption in the quasi two-dimensional network of pores in zeolites. A lattice fluid model is introduced with monomer states to represent molecules standing perpendicular to the principle axis of the pore, dimer states to represent molecules lying flat against the pore wall, and vacant sites or holes. For a wide range of interaction parameters the model gives steps in adsorption isotherms similar to those observed experimentally for benzene adsorption in silicalite. Our treatment attributes the experimentally observed steps in the level of adsorption with rising pressure, to orientational transitions amongst molecules in the adsorbed phase with two possible ground states arrangements of the benzene molecules in the zeolite pores energetically competing with each other.