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Bernal's model is employed to represent the structure of amorphous carbonaceous materials. The adsorptive properties corresponding to this model surface are tested by means of Monte Carlo computer simulations. Nitrogen, oxygen, and carbon dioxide are the adsorbates studied at different temperatures and surface coverages. Molecular cross-sectional areas are estimated from the simulations and the results compared with values in the literature. The simulated configurations of the adsorbed molecules are discussed as well as the variation with coverage of their tilt angle distributions and their density profiles as a function of distance from the surface. Integral heats of adsorption have also been evaluated and discussed.

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Nitrogen physisorption on mesoporous carbonaceous materials is studied through Monte Carlo computer simulations. Bernal's model is employed to describe the solid. Several pore geometries are generated. The resulting pores also present amorphous walls. Grand canonical and canonical ensembles are employed to obtain the adsorption isotherms and the configurations of the adsorbed molecules at different surface coverages. The distributions of molecules with respect to the gas-solid and gas-gas interaction energies, the microdensity profiles as a function of the distance to the surface, and the local density of the adsorbed phase as a function of the surface coverage are discussed.

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