A perturbation-variational theory for molecular fluid interphases

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Abstract
A perturbation theory for the Helmholtz free energy of a liquid-vapour interphase of molecular fluid is proposed. The anisotropic part of the intermolecular potential is used as the expansion functional. This theory allows us to determine simultaneously the surface tension and the molecular orientation profile. The effect of the different anisotropic contributions has been analysed. At the same time the total perturbation Helmholtz energy is split into the perturbation internal energy and the perturbation entropy. Numerical results for N2, O2 and Cl2 are presented. A comparative discussion with previous perturbation theories is included.