Abstract
The applicability to the properties of simple gases and solids of Lennard-Jones n–6 potentials having n equal to 16, 18, and 20 has been investigated. Values of the second virial coefficients for the 16–6 and 20–6 potentials are reported, together with the third virial coefficients and collision integrals for the 16–6 and 18–6 potentials. Comparisons are made with the experimental data for the inert gases, and it is concluded that either the 16–6 or 18–6 potential is able to describe the gas phase properties as well as the Kihara model, while retaining the greater convenience associated with a two-parameter potential.
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Dates
Type | When |
---|---|
Created | 20 years, 7 months ago (Dec. 28, 2004, 12:47 a.m.) |
Deposited | 2 years, 1 month ago (July 7, 2023, 2:56 p.m.) |
Indexed | 1 year, 6 months ago (Feb. 9, 2024, 6:42 a.m.) |
Issued | 59 years, 2 months ago (June 1, 1966) |
Published | 59 years, 2 months ago (June 1, 1966) |
Published Online | 20 years, 8 months ago (Dec. 9, 2004) |
Published Print | 59 years, 2 months ago (June 1, 1966) |
@article{Dymond_1966, title={Two-Parameter Intermolecular Potential Energy Functions for Simple Molecules}, volume={9}, ISSN={0031-9171}, url={http://dx.doi.org/10.1063/1.1761824}, DOI={10.1063/1.1761824}, number={6}, journal={The Physics of Fluids}, publisher={AIP Publishing}, author={Dymond, J. H. and Rigby, M. and Smith, E. B.}, year={1966}, month=jun, pages={1222–1229} }