Percus Yevick: Difference between revisions
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If one defines a class of diagrams by the linear combination (Eq. 5.18 Ref.1) | If one defines a class of [[cluster diagrams | diagrams]] by the linear combination (Eq. 5.18 Ref.1) | ||
(See G. Stell in Ref. 2) | (See G. Stell in Ref. 2) | ||
| Line 29: | Line 29: | ||
:<math>\left.g(r)\right. = e^{-\beta \Phi} (1+ \gamma(r))</math> | :<math>\left.g(r)\right. = e^{-\beta \Phi} (1+ \gamma(r))</math> | ||
or in terms of the bridge function | or in terms of the [[bridge function]] | ||
:<math>\left.B(r)\right.= \ln (1+\gamma(r) ) - \gamma(r)</math> | :<math>\left.B(r)\right.= \ln (1+\gamma(r) ) - \gamma(r)</math> | ||
Revision as of 13:59, 8 June 2007
If one defines a class of diagrams by the linear combination (Eq. 5.18 Ref.1) (See G. Stell in Ref. 2)
one has the exact integral equation
The Percus-Yevick integral equation sets D(r)=0. Percus-Yevick (PY) proposed in 1958 Ref. 3
- Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \left.h-c\right.=y-1}
The PY closure can be written as (Ref. 3 Eq. 61)
- Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \left.f [ \gamma (r) ]\right. = [e^{-\beta \Phi} -1][\gamma (r) +1]}
or
- Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \left.c(r)\right.= {\rm g}(r)(1-e^{\beta \Phi})}
or (Eq. 10 in Ref. 4)
- Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \left.c(r)\right.= \left( e^{-\beta \Phi } -1\right) e^{\omega}= g - \omega - (e^{\omega} -1 -\omega)}
or (Eq. 2 of Ref. 5)
or in terms of the bridge function
- Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \left.B(r)\right.= \ln (1+\gamma(r) ) - \gamma(r)}
Note: the restriction Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle -1 < \gamma (r) \leq 1}
arising from the logarithmic term Ref. 6.
A critical look at the PY was undertaken by Zhou and Stell in Ref. 7.
References
- J. S. Rowlinson "The equation of state of dense systems", Reports on Progress in Physics 28 pp. 169-199 (1965)
- G. Stell "PERCUS-YEVICK EQUATION FOR RADIAL DISTRIBUTION FUNCTION OF A FLUID", Physica 29 pp. 517- (1963)
- Jerome K. Percus and George J. Yevick "Analysis of Classical Statistical Mechanics by Means of Collective Coordinates", Physical Review 110 pp. 1 - 13 (1958)
- G. A. Martynov and G. N. Sarkisov "Exact equations and the theory of liquids. V", Molecular Physics 49 pp. 1495-1504 (1983)
- Forrest J. Rogers and David A. Young "New, thermodynamically consistent, integral equation for simple fluids", Physical Review A 30 pp. 999 - 1007 (1984)
- Niharendu Choudhury and Swapan K. Ghosh "Integral equation theory of Lennard-Jones fluids: A modified Verlet bridge function approach", Journal of Chemical Physics, 116 pp. 8517-8522 (2002)
- Yaoqi Zhou and George Stell "The hard-sphere fluid: New exact results with applications", Journal of Statistical Physics 52 1389-1412 (1988)