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arXiv · 2010.00442

On the apparent molar volume of methanol in water-methanol mixtures. Composition and temperature effects from molecular dynamics study

M. Cruz Sanchez·M. Aguilar·O. Pizio
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Abstract

We explore the effects of composition and temperature on the apparent molar volumes of species of water-methanol mixtures. Isothermal-isobaric molecular dynamics simulations are used with this purpose. Several combinations of models for water and for methanol are explored. Validity of predictions concerned with a puzzling minimum of apparent molar volume of methanol in water-rich solutions is tested against experimental results.

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M. Cruz Sanchez, M. Aguilar, O. Pizio. 2020-10-01. On the apparent molar volume of methanol in water-methanol mixtures. Composition and temperature effects from molecular dynamics study. https://doi.org/10.5488/cmp.23.34601

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