Intermolecular Forces and Properties of Fluids. II. A General Functional Representation of Intermolecular Potentials, and Some Values of the Second, Third and Fourth Virial Coefficients for Systematically Differing Potentials
Abstract
A new functional representation of angle-independent intermolecular potentials is described, having an unlimited number of parameters in the form of linear coefficients in an expansion depending on a complete system of functions. The basic single-term form of this function is practically equivalent to the Lennard-Jones (6-12) potential. Three particular examples of this potential, having different widths of the potential well, have been examined, and the second, third, and fourth virial coefficients for them have been calculated for a number of temperatures. It is shown that the new functional representation should enable better and more systematic progress in the estimation of intermolecular potentials to fit experimontal data.
- Publication:
-
Proceedings of the Royal Society of London Series A
- Pub Date:
- March 1960
- DOI:
- 10.1098/rspa.1960.0035
- Bibcode:
- 1960RSPSA.254..499B