STRUCTURE OF CONFINED ADHESIVE FLUIDS - A MONTE-CARLO STUDY

Canonical and grand canonical Monte Carlo simulations are used to study the structure of Baxter's adhesive fluid [J. Chem. Phys. 49, 2770 (1968)] in planar slits and its distribution between the pores and the homogeneous phase. The fluid-wall contact densities are determined to calculate the pressure as a function of the density and the separation between the walls. The simulation results are compared with the predictions of the Percus-Yevick approximation for planar pores. A fair agreement between the two methods is found at wider pores and moderate densities and temperatures at which the Percus-Yevick theory conforms with the simulations in the homogeneous phase. In very narrow pores, a truncated graphical expansion provides a better estimate for fluid distribution in the pore.