Theory and simulation of associating liquid mixtures. II

198790 citationsJournal Article

Authors

Chris Joslin · University of Guelph

C.G. Gray · University of Guelph

Walter G. Chapman

Keith E. Gubbins · Cornell University

Abstract

Abstract We present the generalization of Wertheim's theory of associated fluids to multicomponent liquid mixtures. For a model binary fluid mixture with site-site coulombic interactions, the theory yields results in excellent agreement with Monte Carlo simulations. The simulations also provide pair distribution functions. Additional informationNotes on contributorsW.G. Chapman National Science Foundation Graduate Fellow K.E. Gubbins Guggenheim Fellow and Senior Visiting Scientist

Topics & Keywords

Phase Equilibria and Thermodynamics Thermodynamic properties of mixtures Material Dynamics and Properties

Publication Details

Published in: Molecular Physics

Volume 62, Issue 4, pp. 843-860

DOI: 10.1080/00268978700102621

Field-Weighted Citation Impact: 2.56

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Theory and simulation of associating liquid mixtures. II

Authors

Abstract

Topics & Keywords

Publication Details