Monte Carlo study of a hard-sphere fluid near a hard wall

Abstract

Monte Carlo value of the density profile and pair distribution function of a hard-sphere fluid near a hard wall are reported for four densities. The density profile is found to be extremely high near the wall, in agreement with earlier simulation and integral equation studies. However, the number of molecules near the wall is no higher than in a comparable volume of the bulk fluid. The high density near the wall is caused by the fact that the molecules near the wall are generally constrained to remain near the wall and undergo a quasi-two-dimensional random walk. A layering is also observed in the pair distribution function. © 1978 American Institute of Physics.