Intermolecular potentials from transport and thermodynamic data: role of the molecular vibrations on the example of CF4
Year: 1992
Type: article
Abstract: Vibrationally excited states of spherically symmetric molecules have larger collisional diameters compared with the ground state. Molecular gases are mixtures of different excited states in different vibrational modes. Therefore the concept of a single potential of interaction between two molecules fails to describe both transport and thermodynamic properties simultaneously. A model of a gas with slightly different interactions between vibrational states is proposed. It agrees with experimental data well within the corresponding errors. As an example CF 4 is considered and the model proposed here describes fairly well 87 experimental points. The alternative model of a single potential leads to a RMS which is factor of three larger and on average exceeds by two times the accepted experimental errors.
Author: B Stefanov
Institution: Institute of Electronics
Language: English
Subfield: Applied Mathematics
Field: Mathematics
Domain: Physical Sciences
Open Access status: bronze
Funder: National Research Foundation
OpenAlex ID: W2071297539