Difference between revisions of "Argon"

Argon (Ar) has long been a popular choice for computer simulations of simple liquids. Some of the first computer simulations of liquid argon were those of Wood and Parker in 1957 [1] and of Rahman in 1964 [2]. Sadus and Prausnitz have shown that three-body repulsion makes a significant contribution to three-body interactions in the liquid phase [3] (for use of the Axilrod-Teller interaction see [4] [5]). 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 [6].

Thermophysical properties (experimental)

 Property [7] 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

Models

Lennard-Jones parameters

The Lennard-Jones model for argon (Rowley, Nicholson and Parsonage parameters).

A selection of parameters for the Lennard-Jones model for liquid argon are listed in the following table:

 Authors $\epsilon/k_B$ (K) $\sigma$ (nm) Reference (year) Rahman 120 0.34 [2] (1964) Barker, Fisher and Watts 142.095 0.33605 [8] (1971) Rowley, Nicholson and Parsonage 119.8 0.3405 [9] (1975) White 125.7 0.3345 [10] parameter set #4 (1999)

Buckingham potential

The Buckingham potential for argon is given by (Eq. 27 [11]):

$E(r) = 1.69 \times 10^{-8} e^{-r/0.273} -102 \times 10^{-12} r^{-6}$

where $E$ is in ergs ( 10−7 J) and $r$ in Å.

BBMS potential

The Bobetic-Barker-Maitland-Smith potential [12] [13].

[22].

References

Related material

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