Mixing rules for binary Lennard-Jones fluid structures
Authors:
- Michał Banaszak,
- Y.C Chiew,
- M Radosz
Abstract
The mixing rule estimates of the radial distribution functions gαβ(r), from the van der Waals one-fluid and mean density approximations for Lennard-Jones fluid mixtures, are examined by comparing with Monte Carlo simulations. In addition, these mixing rule estimates of gαβ(r) are used to calculate the Helmholtz energy for Lennard-Jones homonuclear chain mixtures based on the thermodynamic perturbation theory (TPT). Two simplifying modifications of these mixing rules are proposed for the TPT mixture model. The accuracy of these simplified rules is examined and found to give accurate representation of the theoretically derived Helmholtz energy over a wide range of densities and temperatures. © 1995.
- Record ID
- UAMa4eb33326bf84fae93c0a86b3e3ba13e
- Author
- Journal series
- Fluid Phase Equilibria, ISSN 0378-3812
- Issue year
- 1995
- Vol
- 111
- Pages
- 161-174
- Publication size in sheets
- 0.65
- ASJC Classification
- ; ;
- DOI
- DOI:10.1016/0378-3812(95)02736-X Opening in a new tab
- Language
- (en) English
- Score (nominal)
- 0
- Score source
- journalList
- Publication indicators
- = 12; = 12; : 1999 = 0.887; : 2006 (2 years) = 1.680 - 2007 (5 years) =1.621
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- Uniform Resource Identifier
- https://researchportal.amu.edu.pl/info/article/UAMa4eb33326bf84fae93c0a86b3e3ba13e/
- URN
urn:amu-prod:UAMa4eb33326bf84fae93c0a86b3e3ba13e
* presented citation count is obtained through Internet information analysis and it is close to the number calculated by the Publish or PerishOpening in a new tab system.