El objetivo principal de este trabajo fue reproducir la transición de los clatratos de etano al pasar de un estado termodinámicamente estable a un estado termodinámicamente inestable a través de Dinámica Molecular. Se ...
The surface tension of some binary and ternary mixtures was calculated by means of molecular dynamics simulations in a canonical set. The analyzed mixtures were oxygen-argon, nitrogen-argon and oxygen-nitrogenargon. The ...
Sánchez-Badillo, Joel; LOPEZ LEMUS, JORGE; Gallo, Marco; Guirado, Ricardo(Royal society of chemistry, 2019-05-03)
In this work a series of thermodynamic, structural, and dynamical properties for the 1-butyl-3-methylimidazolium trifluoroacetate ([C4mim][CF3COO]) and 1-butyl-3-methylimidazolium bromide, ([C4mim][Br]) ionic liquids (ILs) ...