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

Mamedov B., Somuncu E.

Journal of Mathematical Chemistry, cilt.55, sa.2, ss.661-672, 2017 (SCI-Expanded, Scopus) identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 55 Sayı: 2
  • Basım Tarihi: 2017
  • Doi Numarası: 10.1007/s10910-016-0702-z
  • Dergi Adı: Journal of Mathematical Chemistry
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.661-672
  • Anahtar Kelimeler: Joule–Thomson coefficient, Lennard-Jones (12-6) potential, Second virial coefficient
  • Uşak Üniversitesi Adresli: Hayır

Özet

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, N2, H2, O2, CO, C2H4, C3H8 and C5H12. 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.