Triangular well model

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The triangular well model, proposed by T. Nagayimain one dimension [1][2], is given by

\[ \Phi_{12}\left( r \right) = \left\{ \begin{array}{ccc} \infty & ; & r \leq \sigma \\ \frac{\epsilon (r/\sigma - \lambda)}{(\lambda -1)} & ; &\sigma < r \leq \lambda \sigma \\ 0 & ; & r > \lambda \sigma \end{array} \right. \]

where \(\Phi_{12}(r)\) is the intermolecular pair potential, \(r\) is the distance \(r := |\mathbf{r}_1 - \mathbf{r}_2|\), \(\sigma\) is the hard diameter, \(\epsilon\) is the well depth and λ > 1.

Contents

[edit] Equation of state

[3] [4]

[edit] Virial coefficients

\(B_2\), \(B_3\) [5] [6] and \(B_4\) [7]

[edit] Critical point

[edit] Solid phase

[8]

[edit] References

  1. T. Nagayima "Statistical Mechanics of One-dimensional Substances I", Proceedings of the Physico-Mathematical Society of Japan 22 pp. 705-720 (1940)
  2. T. Nagayima "Statistical Mechanics of One-dimensional Substances. II", Proceedings of the Physico-Mathematical Society of Japan 22 pp. 1034-1047 (1940)
  3. J. Largo and J. R. Solana "A simplified perturbation theory for equilibrium properties of triangular-well fluids", Physica A 284 pp. 68-78 (2000)
  4. Mustafa Koyuncu "Equation of state of a long-range triangular-well fluid", Molecular Physics 109 pp. 565-573 (2011)
  5. M. J. Feinberg and Andrew G. De Rocco "Intermolecular Forces: The Triangle Well and Some Comparisons with the Square Well and Lennard-Jones", Journal of Chemical Physics 41 pp. 3439-3450 (1964)
  6. R. H. Fowler, H. W. Graben, Andrew G. De Rocco and M. J. Feinberg "Some Additional Results for the Triangle-Well Potential Model", Journal of Chemical Physics 43 pp. 1083-1084 (1965)
  7. W. C. Farrar and Andrew G. De Rocco "Perturbation Theory for a High-Temperature Triangle-Well Fluid", Journal of Chemical Physics 54 pp. 2024-2025 (1971)
  8. Jhumpa Adhikari and David A. Kofke "Monte Carlo and cell model calculations for the solid-fluid phase behaviour of the triangle-well model", Molecular Physics 100 pp. 1543-1550 (2002)
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