Predicting adsorption isotherms using a two-dimensional statistical associating fiuid theory

摘要

A molecular thermodynamics approach is developed in order to describe the adsorption of fluids on solid surfaces.The new theory is based on the statistical associating fluid theory for potentials of variable range [A.Gil-Villegas et al.,J.Chem.Phys.106,4168(1997)] and uses a quasi-two-dimensional approximation to describe the properties of adsorbed fluids.The theory is tested against Gibbs ensemble Monte Carlo simulations and excellent agreement with the theoretical predictions is achieved.Additionally the authors use the new approach to describe the adsorption isotherms for nitrogen and methane on dry activated carbon.