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cond-mat.soft2026
Molecular dynamics simulations of DMSO-MeOH liquid mixtures. Effects of force fields on mixing properties
M. Cruz-Sánchez, O. Pizio
We explore composition dependence of the principal properties of liquid dimethylsulfoxide (DMSO)-methanol (MeOH) liquid mixtures by using molecular dynamics computer simulations. A…
cond-mat.soft2026
Pressure effects in the properties of simple monohydric alcohols. Lessons from molecular dynamics simulations of united atom type UAM-EW model
M. Aguilar, L. Pusztai, O. Pizio
We explore the pressure dependence of a set of properties of simple monohydric alcohols, namely of methanol, ethanol and 1-propanol, by using isobaric-isothermal molecular dynamics…
cond-mat.soft2026
II. Temperature trends in the properties of simple monohydric alcohols. Molecular dynamics simulations of united atom UAMI-EW model
M. Aguilar, E. Núñez-Rojas, O. Pizio
We explore the dependence of a wide set of properties of monohydric alcohols on temperature by using the isobaric-isothermal molecular dynamics computer simulations. Namely, methan…