Journal of Computer Chemistry, Japan
Online ISSN : 1347-3824
Print ISSN : 1347-1767
ISSN-L : 1347-1767
研究論文
A Universal Equation of State for Hydrocarbons
Yosuke KATAOKAYuri YAMADA
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2015 年 14 巻 1 号 p. 10-17

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A simple, universal equation of state (EOS) for hydrocarbons is proposed. This EOS allows estimation of the effective potential parameters ε and σ in the Lennard-Jones function as analytic functions of n, the number of electrons in the hydrocarbon molecule. Using these parameters, the thermodynamic properties of hydrocarbons may be calculated based on the EOS for a perfect liquid, as already proposed in the Lennard-Jones system. The thermodynamic properties estimated in this manner for various hydrocarbons have been found to be reasonably similar to experimentally obtained values.

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© 2015 Society of Computer Chemistry, Japan
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