Argon: Difference between revisions

Revision as of 13:08, 4 January 2008

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. 4) (for use of the Axilrod-Teller interaction see Refs. 5 and 6). 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)	Ref.
Rowley, Nicholson and Parsonage	119.8	0.3405	Ref. 7
Barker, Fisher and Watts	142.095	0.33605	Ref. 8
White	125.7	0.3345	Ref. 9 parameter set #4

References

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)
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)
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)

@@ Line 1: / Line 1: @@
-{{Stub-general}}
 [[Image:Lennard-Jones.png|thumb| The Lennard-Jones model for argon.]]
-'''Argon''' has a mass of 39.948 [[atomic mass units | umas]].
+'''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 (Ref. 4) (for use of the [[Axilrod-Teller interaction]] see Refs. 5 and 6). However, the [[Lennard-Jones model]] has been frequently used due to its simplicity.
-The [[Lennard-Jones model |Lennard-Jones]] parameters for liquid argon are <math>\epsilon/k_B \approx</math>  119.8  K and <math>\sigma \approx</math>  0.3405 nm. (Ref. 1).
+==Lennard-Jones parameters==
-Barker, Fisher and Watts used the values <math>\epsilon/k_B \approx</math>  142.095  K and <math>\sigma \approx</math>  0.33605 nm. (Ref. 2 Table 1). A more recent study  suggests the parameters <math>\epsilon/k_B \approx</math>  125.7  K and <math>\sigma \approx</math>  0.3345 nm (Ref. 3 parameter set #4)
+The [[Lennard-Jones model |Lennard-Jones]] parameters for liquid argon are listed in the following table:
+{| border="1"
+|-
+| Authors || <math>\epsilon/k_B</math> (K) || <math>\sigma</math>  (nm)|| Ref.
+|-
+| Rowley, Nicholson and Parsonage || 119.8   || 0.3405  || Ref. 7
+|-
+|Barker, Fisher and Watts  ||142.095   ||  0.33605  || Ref. 8
+|-
+| White   || 125.7   ||  0.3345    || Ref. 9 parameter set #4
+|}
+{{Numeric}}
 ==References==
+#[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)]
+#[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)]
+#[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)]
+#[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)]
 #[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)]
 #[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)]
 #[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)]
 [[category: models]]

Argon: Difference between revisions

Revision as of 13:08, 4 January 2008

Lennard-Jones parameters

References

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