Solid-fluid equilibrium: new perspectives from molecular theory

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...

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Bibliographic Details
Published in:Fluid phase equilibria 1996-03, Vol.117 (1), p.114-125
Main Authors: Cottin, X., Paras, E.P.A., Vega, C., Monson, P.A.
Format: Article
Language:English
Subjects:
Chemistry
Exact sciences and technology
General and physical chemistry
Liquid-solid equilibria
Phase equilibria
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Summary: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.
ISSN:0378-3812
1879-0224
DOI:10.1016/0378-3812(95)02944-3