Liquid–vapor interface of water–methanol mixture. II. A simple lattice-gas model
- 15 January 1993
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 98 (2) , 1473-1485
- https://doi.org/10.1063/1.464311
Abstract
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 anisotropicinteractions. 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.Keywords
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