CALCULATION OF THERMODYNAMIC PROPERTIES OF DENSE FLUID NEON USING STATISTICAL-MECHANICAL PERTURBATION-THEORY .1. METHOD, POTENTIALS AND RESULTS UP TO 1 GPA

Thermodynamic properties of dense fluid neon were calculated between 73 and 348 K and up to 1GPa, 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 100-300 K and 0.1-1 GPa. 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. © 1990 Taylor & Francis Ltd.