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IBM Journal of Research and Development  
Volume 14, Number 6, Page 668 (1970)
Plant Automation
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The Percus-Yevick Theory and the Equation of State of the 6:12 Fluid

by D. J. Henderson, J. A. Barker, R. O. Watts
The Percus-Yevick theory can be used to calculate the pair distribution function and from this the equation of state. The conventional method is to calculate the pressure of compressibility directly, unfortunately yielding poor results for the 6:12 fluid at low temperatures. In this paper results are obtained using an indirect method, in which the energy is calculated from the pair distribution function, and the equation of state is obtained by thermodynamic identities. These results are virtually in exact agreement with the machine calculation results for the 6:12 potential and with experimental results for argon.
Related Subjects: Fluids and fluid dynamics; Physical chemistry