Shukla, K. P. ; Ram, J. ; Singh, Y. (1976) Perturbation theory for fluids of non-spherical molecules in the presence of three-body forces Molecular Physics, 31 (3). pp. 873-882. ISSN 0026-8976
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Official URL: http://www.tandfonline.com/doi/abs/10.1080/0026897...
Related URL: http://dx.doi.org/10.1080/00268977600100661
Abstract
This work examines a correction to the Helmholtz free energy arising from anisotropy of pair and three-body non-additive interactions. The corrections are derived for axially symmetric molecules through the third order of a perturbation treatment. The effects of higher-order terms are then approximated by means of a simple Padé extrapolation procedure. A Lennard-Jones (12-6) potential is assumed to describe the spherically symmetric component of the two-body potential for overlap and dispersion interactions. The numerical results are given for the force parameters which are used to describe the gaseous properties of CO2, HCl and NH3 molecules.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Taylor and Francis Group. |
| ID Code: | 73153 |
| Deposited On: | 02 Dec 2011 11:01 |
| Last Modified: | 02 Dec 2011 11:01 |
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