Argon: Difference between revisions
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However, the generic [[Lennard-Jones model]] has been frequently used due to its simplicity; some parameters are quoted in the next section. A specific interatomic potential for Ar has been proposed by Aziz | However, the generic [[Lennard-Jones model]] has been frequently used due to its simplicity; some parameters are quoted in the next section. A specific interatomic potential for Ar has been proposed by Aziz | ||
<ref>[http://dx.doi.org/10.1063/1.466051 Ronald A. Aziz "A highly accurate interatomic potential for argon", Journal of Chemical Physics '''99''' p. 4518 (1993)]</ref>. | <ref>[http://dx.doi.org/10.1063/1.466051 Ronald A. Aziz "A highly accurate interatomic potential for argon", Journal of Chemical Physics '''99''' p. 4518 (1993)]</ref>. | ||
==Thermophysical properties == | |||
{| border="1" | |||
|- | |||
| Property || Temperature || Pressure | |||
|- | |||
| Triple point || 83.8058 K || 69 kPa | |||
|- | |||
| Critical point || 50.87 K || 4.898 MPa | |||
|- | |||
| Melting point || 83.80 K || | |||
|- | |||
| Boiling point ||87.30 K || | |||
|} | |||
==Lennard-Jones parameters== | ==Lennard-Jones parameters== | ||
The [[Lennard-Jones model |Lennard-Jones]] parameters for liquid argon are listed in the following table: | The [[Lennard-Jones model |Lennard-Jones]] parameters for liquid argon are listed in the following table: | ||
Revision as of 11:23, 22 May 2009
Argon (Ar) 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 [1] (for use of the Axilrod-Teller interaction see [2] [3]). However, the generic Lennard-Jones model has been frequently used due to its simplicity; some parameters are quoted in the next section. A specific interatomic potential for Ar has been proposed by Aziz [4].
Thermophysical properties
| Property | Temperature | Pressure |
| Triple point | 83.8058 K | 69 kPa |
| Critical point | 50.87 K | 4.898 MPa |
| Melting point | 83.80 K | |
| Boiling point | 87.30 K |
Lennard-Jones parameters
The Lennard-Jones parameters for liquid argon are listed in the following table:
| Authors | (K) | (nm) | Reference |
| Rowley, Nicholson and Parsonage | 119.8 | 0.3405 | [5] |
| Barker, Fisher and Watts | 142.095 | 0.33605 | [6] |
| White | 125.7 | 0.3345 | [7] parameter set #4 |
Radial distribution function
Quantum simulations
References
- ↑ 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)
- ↑ 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)
- ↑ 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)
- ↑ Ronald A. Aziz "A highly accurate interatomic potential for argon", Journal of Chemical Physics 99 p. 4518 (1993)
- ↑ 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)
- ↑ 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)
- ↑ 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)
Related material
- H. C. Longuet-Higgins and B. Widom "A rigid sphere model for the melting of argon", Molecular Physics 8 pp. 549-556 (1964)
- D. Henderson and J. A. Barker "On the solidification of argon", Molecular Physics 14 pp. 587-589 (1968)
- F. Lado "Numerical Calculation of the Density Autocorrelation Function for Liquid Argon", Physical Review A 5 pp. 2238-2244 (1972)
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