Computer simulation of ethylene physisorption on graphite

Grand canonical Monte Carlo (GCMC) simulations of ethylene physisorption on the basal plane of graphite are reported. The calculated isotherms are com pared with experimental results at several temperatures. The maximum surfac e coverage studied is close to one monolayer. The ethylene molecules are de scribed as six Lennard-Jones interaction sites. Three models are compared t o introduce the quadrupolar interactions. The isosteric heat of adsorption at zero coverage is also calculated, and the obtained value is compared wit h experimental results obtained by other authors.