Argon: Difference between revisions

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[[Image:Lennard-Jones.png|thumb| The Lennard-Jones model for argon.]]
'''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
'''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>
<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>
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==Lennard-Jones parameters==
==Lennard-Jones parameters==
[[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:
The [[Lennard-Jones model |Lennard-Jones]] parameters for liquid argon are listed in the following table:
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Revision as of 16:58, 4 February 2010

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 (experimental)

Property [5] Temperature Pressure
Triple point 83.8058 K 69 kPa
Critical point 150.87 K 4.898 MPa
Melting point 83.80 K
Boiling point 87.30 K

Lennard-Jones parameters

The Lennard-Jones model for argon.

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 [6]
Barker, Fisher and Watts 142.095 0.33605 [7]
White 125.7 0.3345 [8] parameter set #4

Buckingham potential

The Buckingham potential for argon is given by (Eq. 27 [9]):

where is in ergs ( 10−7 J) and in Å.

Radial distribution function

Radial distribution function

Quantum simulations

References

Related material

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