Liquid–vapor interface of water–methanol mixture. I. Computer simulation
- 15 January 1993
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 98 (2) , 1464-1472
- https://doi.org/10.1063/1.464310
Abstract
Results of molecular dynamicscomputer simulation are presented for liquid–vapor interface of water–methanol mixture of various compositions at room temperature. The composition dependence of calculated surface tension is typical of aqueous solutions of organic compounds. The outermost surface layer is saturated with methanol even at low bulk concentrations of methanol. The density profile of each component seems oscillatory at some compositions.Keywords
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