TITLE

Equation of state of alkanes II

AUTHOR(S)
Toxvaerd, S.
PUB. DATE
October 1997
SOURCE
Journal of Chemical Physics;10/1/1997, Vol. 107 Issue 13, p5197
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Discusses the pressure in condensed fluids of pentane and decane that is calculated by molecular dynamics for various temperatures. Use of the anisotropic united atom (AUA) model; Comparison with other united atom models (UA); Impact of torsion potential and intermolecular potential on structure, thermodynamics and self-diffusion; Gauss' principle of least constraint.
ACCESSION #
4247326

 

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