Editing Combining rules
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==Hudson and McCoubrey== | ==Hudson and McCoubrey== | ||
<ref>[http://dx.doi.org/10.1039/TF9605600761 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)]</ref> | <ref>[http://dx.doi.org/10.1039/TF9605600761 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)]</ref> | ||
==Kong rules== | ==Kong rules== | ||
The Kong rules for the [[Lennard-Jones model]] are given by (Table I in | The Kong rules for the [[Lennard-Jones model]] are given by (Table I in | ||
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The Kong-Chakrabarty rules for the [[Exp-6 potential]] <ref>[http://dx.doi.org/10.1021/j100640a019 Chang Lyoul Kong , Manoj R. Chakrabarty "Combining rules for intermolecular potential parameters. III. Application to the exp 6 potential", Journal of Physical Chemistry '''77''' pp. 2668-2670 (1973)]</ref> are given by (Eqs. 2-4): | The Kong-Chakrabarty rules for the [[Exp-6 potential]] <ref>[http://dx.doi.org/10.1021/j100640a019 Chang Lyoul Kong , Manoj R. Chakrabarty "Combining rules for intermolecular potential parameters. III. Application to the exp 6 potential", Journal of Physical Chemistry '''77''' pp. 2668-2670 (1973)]</ref> are given by (Eqs. 2-4): | ||
:<math>\left[ \frac{\epsilon_{12}\alpha_{12} e^{\alpha_{12}}}{(\alpha_{12}-6)\sigma_{12}} \right]^{2\sigma_{12}/\alpha_{12}} | :<math>\left[ \frac{\epsilon_{12}\alpha_{12} e^{\alpha_{12}}}{(\alpha_{12}-6)\sigma_{12}} \right]^{2\sigma_{12}/\alpha_{12}}</math> | ||
</math> | |||
==Lorentz-Berthelot rules== | ==Lorentz-Berthelot rules== | ||
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These rules are simple and widely used, but are not without their failings <ref>[http://dx.doi.org/10.1080/00268970010020041 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)]</ref> | These rules are simple and widely used, but are not without their failings <ref>[http://dx.doi.org/10.1080/00268970010020041 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)]</ref> | ||
<ref>[http://dx.doi.org/10.1080/00268970802471137 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)]</ref> | <ref>[http://dx.doi.org/10.1080/00268970802471137 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)]</ref> | ||
<ref>[http://dx.doi.org/10.1063/1.1610435 W. Song, P. J. Rossky, and M. Maroncelli "Modeling alkane+perfluoroalkane interactions using all-atom potentials: Failure of the usual combining rules", Journal of Chemical Physics '''119''' pp. 9145- (2003 | <ref>[http://dx.doi.org/10.1063/1.1610435 W. Song, P. J. Rossky, and M. Maroncelli "Modeling alkane+perfluoroalkane interactions using all-atom potentials: Failure of the usual combining rules", Journal of Chemical Physics '''119''' pp. 9145- (2003)]</ref>. | ||
==Mason-Rice | ==Mason-Rice rule== | ||
The Mason-Rice | The Mason-Rice rule for the [[Exp-6 potential]] <ref>[http://dx.doi.org/10.1063/1.1740100 Edward A. Mason and William E. Rice "The Intermolecular Potentials of Helium and Hydrogen", Journal of Chemical Physics '''22''' pp. 522- (1954)]</ref>. | ||
==Sikora rules== | ==Sikora rules== | ||
The Sikora rules for the [[Lennard-Jones model]] <ref>[http://dx.doi.org/10.1088/0022-3700/3/11/008 P. T. Sikora "Combining rules for spherically symmetric intermolecular potentials", Journal of Physics B: Atomic and Molecular Physics '''3''' pp. 1475- (1970)]</ref>. | The Sikora rules for the [[Lennard-Jones model]] <ref>[http://dx.doi.org/10.1088/0022-3700/3/11/008 P. T. Sikora "Combining rules for spherically symmetric intermolecular potentials", Journal of Physics B: Atomic and Molecular Physics '''3''' pp. 1475- (1970)]</ref>. |