Article ID Journal Published Year Pages File Type
5408550 Journal of Molecular Liquids 2017 23 Pages PDF
Abstract
In the present paper one of the simplest models for the intermolecular interaction of ionic substances is used. The phase equilibrium and pVT properties in the single-phase area for the fluid with intermolecular interaction, which is described by the Lennard-Jones and Coulomb potentials, is calculated by molecular dynamics simulation. Influence of the charge on position of the Zeno line as well as on a position of the vapor-liquid equilibrium line on phase diagram is determined. It is shown that this system can be described by generalized scaling laws proposed in a series of articles Apfelbaum E.M., Vorob'ev V.S.//J. Phys. Chem. B. 112. (2008) 13064. and Apfelbaum E.M., Vorob'ev V.S.//J. Chem. Phys. 130. (2009) 214111. The expression for the dependence of properties at the critical point, the Boyle temperature and density on the charge value are proposed.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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