Melting curve

From SklogWiki
Jump to: navigation, search

Melting curve

Contents

[edit] Empirical "one-phase" rules

[edit] Lindemann melting law

[1]

[edit] Hansen-Verlet freezing rule

[2]

[edit] Raveché-Mountain-Street criteria

[3]

[edit] Ross melting rule

The Ross melting rule states (Eq. 4 [4]):

\[A = \frac{1}{2} NE(0) - Nk_BT \ln \upsilon - Nk_BT \ln \upsilon_f^*\]

where \(A\) is the Helmholtz energy function, \(N\) is the number of cells, \(E(0)\) is the potential at the centre of the cell, \(k_B\) is the Boltzmann constant, \(T\) is the temperature, \(\upsilon\) is the volume of the cell, and \(\upsilon_f^*\) is the dimensionless reduced volume in configuration space.

[edit] Zero residual multiparticle entropy criterion

[5][6] [7]

[edit] References

  1. F. A. Lindemann "The calculation of molecular natural frequencies", Physikalische Zeitschrift 11 pp. 609-612 (1910)
  2. Jean-Pierre Hansen and Loup Verlet "Phase Transitions of the Lennard-Jones System", Physical Review 184 pp. 151-161 (1969)
  3. Harold J. Raveché, Raymond D. Mountain, and William B. Streett "Freezing and melting properties of the Lennard‐Jones system", Journal of Chemical Physics 61 pp. 1970- (1974)
  4. Marvin Ross "Generalized Lindemann Melting Law", Physical Review 184 pp. 233-242 (1969)
  5. P.V. Giaquinta and G. Giunta "About entropy and correlations in a fluid of hard spheres", Physica A: Statistical Mechanics and its Applications 187 pp. 145-158 (1992)
  6. P. V. Giaquinta, G. Giunta and S. Prestipino Giarritta "Entropy and the freezing of simple liquids", Physical Review A 45 R6966–R6968 (1992)
  7. William P. Krekelberg, Vincent K. Shen, Jeffrey R. Errington, and Thomas M. Truskett "Residual multiparticle entropy does not generally change sign near freezing", Journal of Chemical Physics 128 161101 (2008)
Related reading
Personal tools
Namespaces
Variants
Actions
Navigation
Help
Toolbox