most citedMolecular dynamics simulations of water-ethanol mixtures. I. Composition trends in thermodynamic properties

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cond-mat.soft2024★ 6 cited

Molecular dynamics simulations of water-ethanol mixtures. I. Composition trends in thermodynamic properties

D. Benavides Bautista, M. Aguilar, O. Pizio

We explored the composition dependence of a rather comprehensive set of properties of liquid water-ethanol mixtures by using the isobaric-isothermal molecular dynamics computer sim…