Comment on the accuracy of Wertheim`s theory of associating fluids
- School of Chemical Engineering, Cornell University, Ithaca, New York 14853 (United States)
- Department of Chemical Engineering, University of Wisconsin, Madison, Wisconsin 53706 (United States)
The results of recently developed Monte Carlo methods for simulation of strongly associating fluids show an apparent disagreement with Wertheim`s theory of associating fluids. In this comment we show that the disagreement observed arises largely from approximations used for the reference-fluid pair distribution function required by the theory. {copyright} {ital 1995} {ital American} {ital Institute} {ital of} {ital Physics}.
- DOE Contract Number:
- FG02-88ER13974
- OSTI ID:
- 90482
- Journal Information:
- Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 9 Vol. 103; ISSN JCPSA6; ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
Similar Records
On the relation between the Wertheim{close_quote}s two-density integral equation theory for associating fluids and Chandler{endash}Silbey{endash}Ladanyi integral equation theory for site{endash}site molecular fluids
The Wertheim integral equation theory with the ideal chain approximation and a dimer equation of state: Generalization to mixtures of hard-sphere chain fluids
The correlation functions of hard-sphere chain fluids: Comparison of the Wertheim integral equation theory with the Monte Carlo simulation
Journal Article
·
Thu Feb 29 23:00:00 EST 1996
· Journal of Chemical Physics
·
OSTI ID:278645
The Wertheim integral equation theory with the ideal chain approximation and a dimer equation of state: Generalization to mixtures of hard-sphere chain fluids
Journal Article
·
Tue Aug 22 00:00:00 EDT 1995
· Journal of Chemical Physics
·
OSTI ID:87098
The correlation functions of hard-sphere chain fluids: Comparison of the Wertheim integral equation theory with the Monte Carlo simulation
Journal Article
·
Sat Dec 31 23:00:00 EST 1994
· Journal of Chemical Physics; (United States)
·
OSTI ID:6713281