Abstract
Combination rules are proposed for the depth and position parameters of the effective potential well for interactions between molecules. They are an extension, by the introduction of a rigid-core parameter that can be determined independently from known dispersion coefficients, of the Tang-Toennies rules for interactions between noble-gas atoms. Such rules permit the calculation of many mixture properties of molecular gases via known correlation equations, without involving any attempt to predict the entire anisotropic intermolecular potential. The rules are tested with the few known potentials, and with more extensive experimental data on mixture properties, and appear to work satisfactorily.
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Bzowski, J., Mason, E.A. & Kestin, J. On combination rules for molecular van der waals potential-well parameters. Int J Thermophys 9, 131–143 (1988). https://doi.org/10.1007/BF00504005
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DOI: https://doi.org/10.1007/BF00504005