Abstract

We have calculated the second virial coefficient of SO 2 for all published intermolecular pair potentials. The main result is that the effective potentials obtained by the molecular dynamics simulation method, with parameters fitted to liquid-state properties of SO 2, give in general reasonable agreement with experiment. The most sophisticated potential, with three Lennard-Jones sites plus experimental dipole and quadrupole moments located at the molecular center of mass, gives good results even in the low-temperature range.

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