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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 62, 1987 - Issue 4
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Original Articles

Theory and simulation of associating liquid mixtures. II

C.G. Joslin Department of Physics, University of Guelph, Guelph, Ontario, N1G 2W1, Canada; Guelph-Waterloo Program for Graduate Work in Physics, University of Guelph, Guelph, Ontario, N1G 2W1, Canada
,
C.G. Gray Department of Physics, University of Guelph, Guelph, Ontario, N1G 2W1, Canada; Guelph-Waterloo Program for Graduate Work in Physics, University of Guelph, Guelph, Ontario, N1G 2W1, Canada
,
W.G. Chapman School of Chemical Engineering, Cornell University, Ithaca, New York, 14853, U.S.A.View further author information
&
K.E. Gubbins Physical Chemistry Laboratory, South Parks Road, Oxford, OX13QZ, England; School of Chemical Engineering, Cornell University, Ithaca, New York, 14853, USAView further author information
Pages 843-860 | Received 01 Jul 1987, Accepted 15 Jul 1987, Published online: 23 Aug 2006
 
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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 information

Notes on contributors

W.G. Chapman

National Science Foundation Graduate Fellow

K.E. Gubbins

Guggenheim Fellow and Senior Visiting Scientist

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