| Literature DB >> 22894375 |
Gloria Arlette Méndez-Maldonado1, Minerva González-Melchor, José Alejandre.
Abstract
Direct molecular dynamics simulations on interfaces at constant temperature are performed to obtain the liquid-vapor phase diagram of the two-dimensional soft primitive model, an equimolar mixture of equal size spheres carrying opposite charges. Constant temperature and pressure simulations are also carried out to check consistency with interface simulations results. In addition, an analysis of the cluster formation of mixtures of particles with charge asymmetry in the range 1:1 to 1:36 at low and high densities is performed. The number of free ions, when plotted as a function of the positive ion charge, Z(+), has an oscillatory behavior and is independent of the density. The formation of aggregates is analyzed in terms of the attraction and repulsion between ions.Year: 2012 PMID: 22894375 DOI: 10.1063/1.4738981
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 3.488