Analytical evaluation of zero-pressure Joule-Thomson coefficient using second virial coefficient and its application

作者：Mamedov B A^*; Somuncu E

来源：Journal of Mathematical Chemistry, 2017, 55(2): 661-672.

DOI：10.1007/s10910-016-0702-z

• Second virial coefficient
• Lennard-Jones (12-6) potential
• Joule-Thomson coefficient

In this paper, we present an analytical procedure to evaluate the zero-pressure Joule-Thomson coefficient using the second virial coefficient over the Lennard-Jones (12-6) potential. The analytical expressions are derived for the first and second derivatives of the second virial coefficient. The proposed formulae guarantee the accurate and fast calculation of the Joule-Thomson coefficient. As an example of application, the analytical expression obtained is used to calculate results for the molecules He, Xe, , , , , , and . The results obtained by the present analytical expression are found to be in good agreement with the data in the literature. The calculation of results will help to estimate the Joule-Thomson coefficient with sufficient reliability and to determine the interaction potentials.

• 出版日期2017-2