Grand ensemble Monte Carlo study of crystallization in sub-monolayer adsorption at a solid vapour interface

Abstract

A grand ensemble Monte Carlo procedure is used to examine the thermodynamic properties of a crystal-like layer of krypton adsorbed at sub-monolayer coverages on graphite at 90.12 K. The effect of the periodic boundary conditions on these properties is discussed and used to develop a thermodynamically consistent iterative procedure to estimate the transition pressure and thereby fix the adsorption isotherm.