Zustandsgroessen und Transportkoeffizienten von Binaeren Gasgemischen. II. Die Zweier-Wecselwirkung Zwischen Gleichen und Ungleichen Molekuelen (Constants and Transport Coefficients of Binary Gas Mixtures: 2. The Pairing Interaction Between Like and Unlike Molecules)
(Englisch)
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A method is presented for the accurate calculation of the intermolecular pair potential parameters for unlike molecules. Precise equations are derived for the force constants epsilon(12) and sigma(12) of a Lennard-Jones-(6, delta)-potential. For a repulsive exponent value delta = 12 these constants are evaluated for 16 binary mixtures of different molecular structure and for all noble gas binaries. The results are compared with empirical literature-values and with values calculated from well-known combining rules. The agreement with empirical data is in some cases excellent especially for the noble gas binaries. (Author)
Zustandsgroessen und Transportkoeffizienten von Binaeren Gasgemischen. II. Die Zweier-Wecselwirkung Zwischen Gleichen und Ungleichen Molekuelen (Constants and Transport Coefficients of Binary Gas Mixtures: 2. The Pairing Interaction Between Like and Unlike Molecules)