6 citations · 15 across the 7 of their papers we have counts for
7 papers
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…
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…
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…
Towards construction of microscopic model for smart coating of a solid surface
O. Pizio
The density functional approach for classical associating fluids is used to explore the wetting phase diagrams for model systems consisting of water and graphite-like solid surface…
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
M. Cruz Sanchez, V. Trejos Montoya, O. Pizio
We report the temperature, pressure and composition dependence of some basic properties of model liquid water-methanol mixtures. For this purpose the isobaric-isothermal molecular…
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…
On the apparent molar volume of methanol in water-methanol mixtures. Composition and temperature effects from molecular dynamics study
M. Cruz Sanchez, M. Aguilar, O. Pizio
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 us…