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Prediction of thermodynamic properties of fluid mixtures by molecular dynamics simulations: methane-ethane

✍ Scribed by Möller, Dietmar; Óprzynski, Jörn; Müller, Andreas; Fischer, Johann

Book ID: 120608055
Publisher: Taylor and Francis Group
Year: 1992
Tongue: English
Weight: 919 KB
Volume: 75
Category: Article
ISSN: 0026-8976
DOI: 10.1080/00268979200100291

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## Abstract Intermolecular interaction energy data for the methane dimer have been calculated at a spectroscopic accuracy and employed to construct an __ab initio__ potential energy surface (PES) for molecular dynamics (MD) simulations of fluid methane properties. The full potential curves of the m