Duh Haymet: Difference between revisions

From SklogWiki
Jump to navigation Jump to search
mNo edit summary
Line 4: Line 4:
:<math>B(\gamma^{*})= - \frac{1}{2} \gamma^{*2} \left[ \frac{1}{ \left[ 1+ \left( \frac{5\gamma^{*} +11}{7\gamma^{*} +9} \right) \gamma^{*}  \right]} \right]</math>
:<math>B(\gamma^{*})= - \frac{1}{2} \gamma^{*2} \left[ \frac{1}{ \left[ 1+ \left( \frac{5\gamma^{*} +11}{7\gamma^{*} +9} \right) \gamma^{*}  \right]} \right]</math>


where (Eq. 10) <math>\gamma^{*}(r) = \gamma (r)  - \beta \Phi_p(r)</math> where <math>\Phi_p (r)</math>  is the perturbative part of the pair potential
where (Eq. 10) <math>\gamma^{*}(r) = \gamma (r)  - \beta \Phi_p(r)</math> where <math>\Phi_p (r)</math>  is the perturbative (attractive) part of the pair potential.
(Note: in the [[WCA separation]] for the [[Lennard Jones]] system, the `perturbative part' is the attractive part).
 


==References==
==References==
#[http://dx.doi.org/10.1063/1.470724    Der-Ming Duh and A. D. J. Haymet "Integral equation theory for uncharged liquids: The Lennard-Jones fluid and the bridge function", Journal of Chemical Physics '''103''' pp. 2625-2633 (1995)]
#[http://dx.doi.org/10.1063/1.470724    Der-Ming Duh and A. D. J. Haymet "Integral equation theory for uncharged liquids: The Lennard-Jones fluid and the bridge function", Journal of Chemical Physics '''103''' pp. 2625-2633 (1995)]

Revision as of 15:43, 26 February 2007

The Duh-Haymet (Ref. 1) (1995) Padé (3/2) approximation for the Bridge function for the Lennard Jones system is (Eq. 13)


where (Eq. 10) where is the perturbative (attractive) part of the pair potential.


References

  1. Der-Ming Duh and A. D. J. Haymet "Integral equation theory for uncharged liquids: The Lennard-Jones fluid and the bridge function", Journal of Chemical Physics 103 pp. 2625-2633 (1995)