The molecular structure of a liquidndash;vapor interface: Comments on the integral equation approach

摘要

A review of attempts to obtain interfacial density profiles by integral equation methods is presented. The first equation of the Yvonndash;Bornndash;Green hierarchy is solved for rgr;(1)(z) for the vaporndash;liquid interface, using squarehyphen;wellg(2)(r) data input generated by solving the second equation of the Yvonndash;Bornndash;Green hierarchy. The method used in solving the first equation is discussed. Profiles are presented for three reduced temperatures spanning the vaporndash;liquid coexistence locus. The properties surface tension and surface excess internal energy are computed using statistical mechanical formulae and the rgr;(1)(z) andg(2)(r) data generated.