The intermolecular potential of chlorine
- 10 February 1988
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 63 (2), 173-188
- https://doi.org/10.1080/00268978800100151
Abstract
We present an anisotropic atom-atom effective pair potential for chlorine and compare it with a wide range of experimental data. The crystal structure, lattice frequencies, liquid structure factor, and several thermodynamic properties of the liquid are all well reproduced. Reasonable agreement with experiment is also obtained for the structure factor of the gas, and for the second virial coefficient over a range of temperatures.Keywords
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