Combining rules
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The combining rules (also known as mixing rules) for binary mixtures are variously given by
Berthelot rule
Lorentz rule
See also Lennard-Jones model
Kong rules
Waldman-Hagler rules
Admur and Mason
For the second virial coefficient of a mixture [3]
Hudson and McCoubrey
References
- ↑ Chang Lyoul Kong "Combining rules for intermolecular potential parameters. II. Rules for the Lennard-Jones (12–6) potential and the Morse potential", Journal of Chemical Physics 59 pp. 2464-2467 (1973)
- ↑ M. Waldman and A. T. Hagler "New combining rules for rare-gas Van der-Waals parameters", Journal of Computational Chemistry 14 pp. 1077-1084 (1993)
- ↑ I. Amdur and E. A. Mason "Properties of Gases at Very High Temperatures", Physics of Fluids 1 pp. 370-383 (1958)
- ↑ G. H. Hudson and J. C. McCoubrey "Intermolecular forces between unlike molecules. A more complete form of the combining rules", Transactions of the Faraday Society 56 pp. 761-766 (1960)
Related reading
- M. Diaz Peña, C. Pando, and J. A. R. Renuncio "Combination rules for intermolecular potential parameters. I. Rules based on approximations for the long-range dispersion energy", Journal of Chemical Physics 76 pp. 325- (1982)
- M. Diaz Peña, C. Pando, and J. A. R. Renuncio "Combination rules for intermolecular potential parameters. II. Rules based on approximations for the long-range dispersion energy and an atomic distortion model for the repulsive interactions", Journal of Chemical Physics 76 pp. 333- (1982)
- Jérôme Delhommelle; Philippe Millié "Inadequacy of the Lorentz-Berthelot combining rules for accurate predictions of equilibrium properties by molecular simulation", Molecular Physics 99 pp. 619-625 (2001)
- Dezso Boda and Douglas Henderson "The effects of deviations from Lorentz-Berthelot rules on the properties of a simple mixture", Molecular Physics 106 pp. 2367-2370 (2008)