Editing Argon
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'''Argon''' (Ar) has | '''Argon''' (Ar) has a mass of 39.948 [[atomic mass units | umas]]. One of the first computer simulations of liquid argon was that of Rahman in 1964 <ref>[http://dx.doi.org/10.1103/PhysRev.136.A405 A. Rahman "Correlations in the Motion of Atoms in Liquid Argon", Physical Review '''136''' pp. A405–A411 (1964)]</ref>. 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> | <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 | (for use of the [[Axilrod-Teller interaction]] see | ||
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| Boiling point ||87.30 K || | | Boiling point ||87.30 K || | ||
|} | |} | ||
==Lennard-Jones parameters== | |||
[[Image:Lennard-Jones.png|thumb| The Lennard-Jones | [[Image:Lennard-Jones.png|thumb| The Lennard-Jones model for argon.]] | ||
The [[Lennard-Jones model |Lennard-Jones]] parameters for liquid argon are listed in the following table: | |||
{| border="1" | {| border="1" | ||
|- | |- | ||
| 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 || <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 || <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 || <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 | | 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 | ||
|} | |} | ||
==Buckingham potential== | |||
The [[Buckingham potential]] for argon is given by (Eq. 27 <ref>[http://dx.doi.org/10.1098/rspa.1938.0173 R. A. Buckingham "The Classical Equation of State of Gaseous Helium, Neon and Argon", Proceedings of the Royal Society of London. Series A, Mathematical and Physical Sciences '''168''' pp. 264-283 (1938)]</ref>): | The [[Buckingham potential]] for argon is given by (Eq. 27 <ref>[http://dx.doi.org/10.1098/rspa.1938.0173 R. A. Buckingham "The Classical Equation of State of Gaseous Helium, Neon and Argon", Proceedings of the Royal Society of London. Series A, Mathematical and Physical Sciences '''168''' pp. 264-283 (1938)]</ref>): | ||
:<math>E(r) = 1.69 \times 10^{-8} e^{-r/0.273} -102 \times 10^{-12} r^{-6} </math> | :<math>E(r) = 1.69 \times 10^{-8} e^{-r/0.273} -102 \times 10^{-12} r^{-6} </math> | ||
where <math>E</math> is in ergs ( 10<sup>−7</sup> J) and <math>r</math> in Å. | where <math>E</math> is in ergs ( 10<sup>−7</sup> J) and <math>r</math> in Å. | ||
==BBMS potential== | |||
The Bobetic-Barker-Maitland-Smith potential <ref>[http://dx.doi.org/10.1103/PhysRevB.2.4169 M. V. Bobetic and J. A. Barker "Lattice Dynamics with Three-Body Forces: Argon", Physical Review B '''2''' 4169-4175 (1970)]</ref> <ref>[http://dx.doi.org/10.1080/00268977100103181 G. C. Maitland and E. B. Smith "The intermolecular pair potential of argon", Molecular Physics '''22''' pp. 861-868 (1971)]</ref>. | The Bobetic-Barker-Maitland-Smith potential <ref>[http://dx.doi.org/10.1103/PhysRevB.2.4169 M. V. Bobetic and J. A. Barker "Lattice Dynamics with Three-Body Forces: Argon", Physical Review B '''2''' 4169-4175 (1970)]</ref> <ref>[http://dx.doi.org/10.1080/00268977100103181 G. C. Maitland and E. B. Smith "The intermolecular pair potential of argon", Molecular Physics '''22''' pp. 861-868 (1971)]</ref>. | ||
==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/> | <references/> | ||
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*[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)] | *[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)] | ||
*[http://dx.doi.org/10.1016/j.molliq.2009.09.009 Ali Asghar Davoodi and Farzaneh Feyzi "A new approach for long range corrections in molecular dynamics simulation with application to calculation of argon properties", Journal of Molecular Liquids '''150''' pp. 33-38 (2009)] | *[http://dx.doi.org/10.1016/j.molliq.2009.09.009 Ali Asghar Davoodi and Farzaneh Feyzi "A new approach for long range corrections in molecular dynamics simulation with application to calculation of argon properties", Journal of Molecular Liquids '''150''' pp. 33-38 (2009)] | ||
[[category: models]] | [[category: models]] | ||
{{Numeric}} | {{Numeric}} |