STRUCTURE OF CONFINED ADHESIVE FLUIDS - A MONTE-CARLO STUDY

Canonical and grand canonical Monte Carlo simulations are used to stud y the structure of Baxter's adhesive fluid [J. Chem. Phys. 49, 2770 (1 968)] in planar slits and its distribution between the pores and the h omogeneous phase. The fluid-wall contact densities are determined to c alculate the pressure as a function of the density and the separation between the walls. The simulation results are compared with the predic tions of the Percus-Yevick approximation for planar pores. A fair agre ement between the two methods is found at wider pores and moderate den sities and temperatures at which the Percus-Yevick theory conforms wit h the simulations in the homogeneous phase. In very narrow pores, a tr uncated graphical expansion provides a better estimate for fluid distr ibution in the pore.