Liquid–vapor interface of water–methanol mixture. II. A simple lattice-gas model

Matsumoto, Mitsuhiro; Mizukuchi, Hiroshi; Kataoka, Yosuke
January 1993
Journal of Chemical Physics;1/15/1993, Vol. 98 Issue 2, p1473
Academic Journal
A simple lattice-gas model with a mean field approximation is presented to investigate qualitative features of liquid–vapor interface of water–methanol mixtures. The hydrophobicity of methanol molecules is incorporated by introducing anisotropic interactions. A rigorous framework to treat such anisotropy in a lattice-gas mixture model is described. The model is mathematically equivalent to an interfacial system of a diluted antiferro Ising spin system. Results of density profiles, orientational ordering near the surface, and surface excess thermodynamic quantities are compared with results of computer simulation based on a more realistic model.


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