3 papers
Argon force field revisited: a molecular dynamic study
José Guillermo Méndez-Bermúdez, Iván Guillén-Escamilla, Gloria Arlette Méndez-Maldonado +1
We report the improvement of five argon force fields by scaling Lennard-Jones energy () and distance () parameters to reproduce liquid-vapor phase diagram and surface tension…
Micro and macrophase separation in discrete potential fluids]{Micro and macrophase separation in discrete potential fluids
I. Guillén-Escamilla, J. G. Méndez-Bermúdez, J. C. Mixteco-Sánchez +1
We study the liquid-vapor phase diagram and the structural properties of discrete potential fluids by means of Gibbs ensemble simulations and integral equations theory. We consider…
Equation of state, structure and diffusion coefficients of Gay-Berne fluids: the cases = 5; 10; 15; 20
José Guillermo Méndez-Bermúdez, Iván Guillén-Escamilla, Juan Carlos Mixteco-Sánchez +2
We performed extensive molecular dynamics simulations to obtain pressure-density phase diagram, orientational order parameter, pair correlation functions and translational diffusio…