Martynov Vompe: Difference between revisions

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:<math>\left.y^*(r)\right. = \ln y(r) - \beta \Phi_p</math>
:<math>\left.y^*(r)\right. = \ln y(r) - \beta \Phi_p</math>


where <math>\Phi_p</math> is the perturbative part of the pair potential (Note: in the [[WCA separation]] for the
where <math>\Phi_p</math> is the perturbative part of the [[Intermolecular pair potential | pair potential]] (Note: in the [[WCA separation]] for the
[[Lennard-Jones model | Lennard-Jones]] system, the `perturbative part' is the attractive part).
[[Lennard-Jones model | Lennard-Jones]] system, the `perturbative part' is the attractive part).
Martynov and Vompe have used the <math>dp_v-dP_c</math> and <math>dU-dP</math> [[thermodynamic consistencies]]
Martynov and Vompe have used the <math>dp_v-dP_c</math> and <math>dU-dP</math> [[thermodynamic consistencies]]

Revision as of 13:13, 7 June 2007

The Martynov-Vompe (Refs. 1 and 2) closure

where

where is the perturbative part of the pair potential (Note: in the WCA separation for the Lennard-Jones system, the `perturbative part' is the attractive part). Martynov and Vompe have used the and thermodynamic consistencies in constructing their closures (Ref. 3).

References

  1. G. A. Martynov and A. G. Vompe "Differential condition of thermodynamic consistency as a closure for the Ornstein-Zernike equation", Physical Review E, 47 pp. 1012 - 1017 (1993)
  2. A. G. Vompe and G. A. Martynov "The bridge function expansion and the self-consistency problem of the Ornstein–Zernike equation solution", Journal of Chemical Physics 100 pp. 5249-5258 (1994)
  3. Lloyd L. Lee, Dhananjay Ghonasgi, and Enrique Lomba "The fluid structures for soft-sphere potentials via the zero-separation theorems on molecular distribution functions", Journal of Chemical Physics 104 pp. 8058-8067 (1996)