Thermodynamic perturbation theory for molecular fluids: application to nearly spherically symmetric molecules
Year: 1979
Type: article
Abstract: A temperature-dependent (preaveraged) potential independent of orientation, which is thermodynamically equivalent to an orientation-dependent two- and three-body potential, is developed. The influence on the preaveraged potential of angle-dependent pair interactions (which arise from permanent electric-multipole moments, induced dipole moments, anisotropic dispersion and overlap forces), of three-body non-additive interactions (which arise from dispersion and classical electric-induction interactions between asymmetric molecules) is considered. This preaveraged potential is used to devise a simple perturbation scheme for the calculation of the thermodynamic properties in terms of the properties of a hard-sphere fluid. The calculated thermodynamic properties (configurational energy, entropy and pressure) for nitrogen and methane are in very good agreement with the experimental data.
Authors: K P Shukla, L Pandey, Y Singh
Institution: Banaras Hindu University
Language: English
Subfield: Physical and Theoretical Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: bronze
OpenAlex ID: W1997258125