Solid-fluid equilibrium: new perspectives from molecular theory

• Published in: Fluid phase equilibria Vol. 117; no. 1; pp. 114 - 125
• Main Authors: Cottin, X., Paras, E.P.A., Vega, C., Monson, P.A.
• Format: Journal Article Conference Proceeding
• Language: English
• Published: Amsterdam Elsevier B.V 31-03-1996; Elsevier Science
• Subjects: Chemistry; Exact sciences and technology; General and physical chemistry; Liquid-solid equilibria; Phase equilibria; Monte Carlo method; Phase diagram; Gas solid equilibrium; Binary system; Molecular dynamics method; Theoretical study; Liquid solid equilibrium; Numerical simulation; Statistical mechanics; Thermodynamic properties; Phase equilibrium
• ISSN: 0378-3812; 1879-0224
• DOI: 10.1016/0378-3812(95)02944-3

Some recent developments in the molecular modeling of solid-fluid phase equilibrium are reviewed. Theoretical approches to solid phase thermodynamics and solid-fluid equilbria are described as well as methods for studying solid phases by computer simulation. Applications to the study of solid-fluid equilibrium in systems of nonspherical molecules and to predicting solid-fluid phase diagrams for mixtures are described.