Combining rules for intermolecular potential parameters. II. Rules for the Lennard-Jones (12–6) potential and the Morse potential

A new set of combining rules for intermolecular pair potentials of simple molecules has been formulated based on an atomic distortion model for the repulsive interactions and a geometric mean relationship for the attractive interactions. The rules are shown to be satisfactory in correlating the pair interactions of noble gas atoms when the effective pair interactions are represented by simple analytical potential functions such as the Lennard-Jones (12–6) potential and the Morse potential.