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.
@article{arxiv.2010.00442,
title = {On the apparent molar volume of methanol in water-methanol mixtures. Composition and temperature effects from molecular dynamics study},
author = {M. Cruz Sanchez and M. Aguilar and O. Pizio},
journal= {arXiv preprint arXiv:2010.00442},
year = {2021}
}