Journal of Chemical Physics, Vol.109, No.12, 5044-5049, 1998
Phase coexistence and interface structure of a Lennard-Jones fluid in porous media. Application of Born-Green-Yvon equation
The Born-Green-Yvon (BGY) equation with Fischer-Methfessel. (FM) approximation is used to calculate the density profiles of the planar liquid-vapor interface of Lennard-Jones fluid in a hard-sphere disordered rigid matrix. The density profiles an compared with the results of canonical ensemble Monte Carlo simulations. Both theory and simulation show that the thickness of the interface increases in the presence of disordered media. The phase diagrams for two different matrix densities have been evaluated and compared with the predictions of mean field and optimized cluster theories. Comparison with Monte Carlo data for low matrix densities indicates that the BGY-FM theory works reasonably well. Possible extensions of the theory are also discussed.