Adsorption isotherm of a Lennard-Jones nitrogen in a carbon slitlike pore

Abstract

A density functional perturbation approximation based both on second-order perturbation theory and on the pore average density has been proposed to study the adsorption hysteresis of nitrogen in a carbon slit pore. The main advantage of the present approximation is that it is computationally much simpler than the original density functional approximation based on the second-order perturbation theory of liquids, and can be applied to several model fluids confined in a strong external field in order to study their structural and thermodynamic properties. The calculated adsorption hysteresis for the confined Lennard-Jones nitrogen is in very good agreement with computer simulation, even if its accuracy slightly deteriorates for the desorption branch. The calculated equilibrium particle density distributions also compare well with computer simulations, and are better than those of a density functional theory based on the so-called mean-field approximation.