Excess thermodynamic properties of liquid mixtures of methane and perfluoromethane
- 1 November 1988
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 65 (4) , 1007-1012
- https://doi.org/10.1080/00268978800101561
Abstract
New intermolecular potentials, derived in part from ab initio calculations, have been used in molecular-dynamics simulations of liquid mixtures of CH4 and CF4. Results for the excess volumes and excess enthalpies are found to be in excellent agreement with experimental data. Structural features of the simulated mixtures are strongly suggestive of a tendency to demix.Keywords
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