Argon: Difference between revisions
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[[Image:Lennard-Jones.png|thumb| The Lennard-Jones model for argon.]] | [[Image:Lennard-Jones.png|thumb| The Lennard-Jones model for argon.]] | ||
'''Argon''' has a mass of 39.948 [[atomic mass units | umas]]. Sadus and Prausnitz have shown that three-body repulsion makes a significant contribution to [[Idealised models#Three-body potentials|three-body interactions]] in the liquid phase ( | '''Argon''' (Ar) has a mass of 39.948 [[atomic mass units | umas]]. Sadus and Prausnitz have shown that three-body repulsion makes a significant contribution to [[Idealised models#Three-body potentials|three-body interactions]] in the liquid phase | ||
<ref>[http://dx.doi.org/10.1063/1.471172 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)]</ref> | |||
(for use of the [[Axilrod-Teller interaction]] see | |||
<ref>[http://dx.doi.org/10.1103/PhysRevA.45.3659 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)]</ref> | |||
<ref>[http://dx.doi.org/10.1103/PhysRevE.55.2707 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)]</ref>). | |||
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>. | |||
==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: | ||
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| Authors || <math>\epsilon/k_B</math> (K) || <math>\sigma</math> (nm)|| Reference | | Authors || <math>\epsilon/k_B</math> (K) || <math>\sigma</math> (nm)|| Reference | ||
|- | |- | ||
| Rowley, Nicholson and Parsonage || 119.8 || 0.3405 || | | Rowley, Nicholson and Parsonage || 119.8 || 0.3405 || <ref>[http://dx.doi.org/10.1016/0021-9991(75)90042-X 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)]</ref> | ||
|- | |- | ||
|Barker, Fisher and Watts ||142.095 || 0.33605 || | |Barker, Fisher and Watts ||142.095 || 0.33605 || <ref>[http://dx.doi.org/10.1080/00268977100101821 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)]</ref> | ||
|- | |- | ||
| White || 125.7 || 0.3345 || | | White || 125.7 || 0.3345 || <ref>[http://dx.doi.org/10.1063/1.479848 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)]</ref> parameter set #4 | ||
|} | |} | ||
==Radial distribution function== | ==Radial distribution function== | ||
[[Radial distribution function]] | [[Radial distribution function]] | ||
*[http://dx.doi.org/10.1103/PhysRevA.7.2130 J. L. Yarnell, M. J. Katz, R. G. Wenzel and S. H. Koenig "Structure Factor and Radial Distribution Function for Liquid Argon at 85°K", Physical Review A '''7''' pp. 2130-2144 (1973)] | |||
==Quantum simulations== | ==Quantum simulations== | ||
*[http://dx.doi.org/10.1080/00268978900100811 J. R. Melrose and K. Singer "An investigation of supercooled Lennard-Jones argon by quantum mechanical and classical Monte Carlo simulation", Molecular Physics '''66''' 1203-1214 (1989)] | |||
==References== | ==References== | ||
<references/> | |||
'''Related material''' | |||
*[http://dx.doi.org/10.1080/00268976400100611 H. C. Longuet-Higgins and B. Widom "A rigid sphere model for the melting of argon", Molecular Physics '''8''' pp. 549-556 (1964)] | |||
*[http://dx.doi.org/10.1080/00268976800100721 D. Henderson and J. A. Barker "On the solidification of argon", Molecular Physics '''14''' pp. 587-589 (1968)] | |||
*[http://dx.doi.org/10.1103/PhysRevA.5.2238 F. Lado "Numerical Calculation of the Density Autocorrelation Function for Liquid Argon", Physical Review A '''5''' pp. 2238-2244 (1972)] | |||
[[category: models]] | [[category: models]] | ||
{{Numeric}} | {{Numeric}} | ||
Revision as of 13:20, 1 April 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].
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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