Journal of Computer Chemistry, Japan
Online ISSN : 1347-3824
Print ISSN : 1347-1767
ISSN-L : 1347-1767
General Papers
A Universal Equation of State for Hydrocarbons
Yosuke KATAOKAYuri YAMADA
Author information
JOURNAL FREE ACCESS FULL-TEXT HTML
Supplementary material

2015 Volume 14 Issue 1 Pages 10-17

Details
Abstract
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.
Content from these authors
© 2015 Society of Computer Chemistry, Japan
Previous article Next article
feedback
Top