STRUCTURE OF DENSE LIQUIDS AT SOLID INTERFACES

Detailed calculations of dense fluids of hard spheres, soft repulsive spheres and Lennard-Jones molecules between hard, soft repulsive and attractive solid walls reveals a pronounced stratification of the fluid's density profile. The calculations have been performed using the NVT Monte Carlo method with about 200 fluid molecules. The results indicate that a very significant role is played by the attractive component in the intermolecular potentials, which suggests that the usual hard-sphere perturbation theories are not applicable in their present form. © 1979 American Institute of Physics.