activity
20182025
most citedMolecular dynamics simulations of the properties of water-methanol mixtures. Effects of force fields

17 citations · 32 across the 5 of their papers we have counts for

collaborators

5 papers

cond-mat.soft2025★ 4 cited

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…

cond-mat.soft2020★ 5 cited

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…

cond-mat.soft2020★ 2 cited

On the properties of methanolic NaCl solution by molecular dynamics simulations

M. Cruz Sanchez, H. Dominguez, O. Pizio

Isothermal-isobaric molecular dynamics simulations are used to examine the microscopic structure and principal thermodynamic properties of a model solution consisting of NaCl salt…

cond-mat.soft2019★ 17 cited

Molecular dynamics simulations of the properties of water-methanol mixtures. Effects of force fields

M. Cruz Sanchez, H. Dominguez, O. Pizio

Isothermal-isobaric molecular dynamics simulations are used to examine the microscopic structure and some properties of water-methanol liquid mixture. The TIP4P/2005 and SPC/E wate…

cond-mat.soft2018★ 4 cited

Effects of ion concentration and solvent composition on the properties of water-methanol solutions of NaCl. NPT molecular dynamics computer simulation results

M. Cruz Sanchez, J. Gujt, S. Sokolowski +1

Isothermal-isobaric molecular dynamics simulations are used to examine the microscopic structure and other properties of a model solution consisting of NaCl salt dissolved in water…