# Difference between revisions of "Lennard-Jones equation of state"

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The equation of state of the [[Lennard-Jones model]]. | The equation of state of the [[Lennard-Jones model]]. | ||

+ | ==Equation of state== | ||

+ | Johnson et al [1] propose an equation of state based on 33 parameters, which accurately reproduces the [[Density-temperature | vapor liquid equilibrium]] curve. | ||

==Melting line== | ==Melting line== | ||

The solid and liquid densities along the melting line are given by the equations of Mastny and de Pablo (Ref. 5 Eqs. 20 and 21): | The solid and liquid densities along the melting line are given by the equations of Mastny and de Pablo (Ref. 5 Eqs. 20 and 21): |

## Revision as of 12:04, 6 March 2008

The equation of state of the Lennard-Jones model.

## Equation of state

Johnson et al [1] propose an equation of state based on 33 parameters, which accurately reproduces the vapor liquid equilibrium curve.

## Melting line

The solid and liquid densities along the melting line are given by the equations of Mastny and de Pablo (Ref. 5 Eqs. 20 and 21):

and

## References

- J. Karl Johnson, John A. Zollweg and Keith E. Gubbins "The Lennard-Jones equation of state revisited", Molecular Physics
**78**pp. 591-618 (1993) - Karel Aim, Jirí Kolafa, Ivo Nezbeda and Horst L. Vörtler "The Lennard-Jones fluid revisited: new thermodynamic data and new equation of state", Fluid Phase Equilibria
**83**pp. 15-22 (1993) - G. Sh. Boltachev and V. G. Baidakov "Equation of State for Lennard-Jones Fluid", High Temperature
**41**pp. 270-272 (2003) - Hertanto Adidharma and Maciej Radosz "The LJ-Solid Equation of State Extended to Thermal Properties, Chain Molecules, and Mixtures", Industrial and Engineering Chemistry Research
**43**pp. 6890 - 6897 (2004) - David M. Eike, Joan F. Brennecke, and Edward J. Maginn "Toward a robust and general molecular simulation method for computing solid-liquid coexistence", Journal of Chemical Physics
**122**014115 (2005) - Ethan A. Mastny and Juan J. de Pablo "Melting line of the Lennard-Jones system, infinite size, and full potential", Journal of Chemical Physics
**127**104504 (2007)