Argon

The Lennard-Jones model for argon.

Argon has a mass of 39.948 umas. Sadus and Prausnitz have shown that three-body repulsion makes a significant contribution to three-body interactions in the liquid phase (Ref. 5) (for use of the Axilrod-Teller interaction see Refs. 6 and 7). However, the Lennard-Jones model has been frequently used due to its simplicity.

Lennard-Jones parameters

The Lennard-Jones parameters for liquid argon are listed in the following table:

Authors	$\epsilon /k_{B}$ (K)	$\sigma$ (nm)	Reference
Rowley, Nicholson and Parsonage	119.8	0.3405	Ref. 8
Barker, Fisher and Watts	142.095	0.33605	Ref. 9
White	125.7	0.3345	Ref. 10 parameter set #4

References

1. H. C. Longuet-Higgins and B. Widom "A rigid sphere model for the melting of argon", Molecular Physics 8 pp. 549-556 (1964)
2. D. Henderson and J. A. Barker "On the solidification of argon", Molecular Physics 14 pp. 587-589 (1968)
3. J. A. Barker, R. A. Fisher and R. O. Watts "Liquid argon: Monte Carlo and molecular dynamics calculations", Molecular Physics 21 pp. 657-673 (1971)
4. F. Lado "Numerical Calculation of the Density Autocorrelation Function for Liquid Argon", Physical Review A 5 pp. 2238-2244 (1972)
5. Richard J. Sadus and J. M. Prausnitz "Three-body interactions in fluids from molecular simulation: Vapor–liquid phase coexistence of argon", Journal of Chemical Physics 104 pp. 4784-4787 (1996)
6. Phil Attard "Pair-hypernetted-chain closure for three-body potentials: Results for argon with the Axilrod-Teller triple-dipole potential", Physical Review A 45 pp. 3659-3669 (1992)
7. J. A. Anta, E. Lomba and M. Lombardero "Influence of three-body forces on the gas-liquid coexistence of simple fluids: The phase equilibrium of argon", Physical Review E 55 pp. 2707-2712 (1997)
8. L. A. Rowley, D. Nicholson and N. G. Parsonage "Monte Carlo grand canonical ensemble calculation in a gas-liquid transition region for 12-6 Argon", Journal of Computational Physics 17 pp. 401-414 (1975)
9. J. A. Barker, R. A. Fisher and R. O. Watts "Liquid argon: Monte carlo and molecular dynamics calculations", Molecular Physics 21 pp. 657-673 (1971)
10. John A. White "Lennard-Jones as a model for argon and test of extended renormalization group calculations", Journal of Chemical Physics 111 pp. 9352-9356 (1999)