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

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.

arXiv comment6 pages, 3 figures

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Cited by in corpus (4)

• Evolution of the hydrogen-bonded network in methanol-water mixtures upon cooling
• Revisiting the composition dependence of the properties of water-dimethyl sulfoxide liquid mixtures. Molecular dynamics computer simulations
• Molecular dynamics simulations of water-ethanol mixtures. I. Composition trends in thermodynamic properties
• On the temperature, pressure and composition effects in the properties of water-methanol mixtures. I. Density, excess mixing volume and enthalpy, and self-diffusion coefficients from molecular dynamics simulations