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

Cruz Sanchez, Aguilar, Pizio
2020 Condensed Matter Physics  
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.
doi:10.5488/cmp.23.34601 fatcat:ya7j32lujrcc3kiiohwacjvgui