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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 69, 1990 - Issue 6
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Original Articles

Calculation of thermodynamic properties of dense fluid neon using statistical-mechanical perturbation theory

Part I: Method, potentials and results up to 1 GPa

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Pages 981-999 | Received 14 Sep 1989, Accepted 01 Dec 1989, Published online: 23 Aug 2006
 

Abstract

Thermodynamic properties of dense fluid neon were calculated between 73 and 348K and up to 1 GPa, using Ross' variational perturbation theory. Parameter values for the EXP-6 effective pair potential were determined by matching the calculated sound velocities to experimental data in the ranges 100–300K and 0·1-1GPa. Calculations with this potential and with several pure pair potentials (XC, HFD etc.) were compared with experimental pVT and sound-velocity data. The effect of the Axilrod-Teller many-body correction term on the pure pair potentials was studied. The EXP-6 potential describes the experimental data up to 1 GPa with an accuracy almost equal to the experimental error. The pressure dependence of the specific heat at constant volume is shown along several isotherms.

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