Accurate Analytical Evaluation of Fugacity Coefficient of Gases

Somuncu E., Mamedov B.

Russian Journal of Physical Chemistry A, vol.97, no.5, pp.878-882, 2023 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 97 Issue: 5
  • Publication Date: 2023
  • Doi Number: 10.1134/s0036024423050072
  • Journal Name: Russian Journal of Physical Chemistry A
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Aquatic Science & Fisheries Abstracts (ASFA), Compendex
  • Page Numbers: pp.878-882
  • Keywords: fugacity coefficient, Lennard-Jones (12-6) potential, thermodynamic properties, virial coefficients
  • Karadeniz Technical University Affiliated: No


Abstract: In this study, we propose an alternative analytical procedure for evaluating the fugacity coefficient of gases using the second virial coefficient with the Lennard-Jones (12-6) potential. The novelty of the present research is that it is able to determine the fugacity coefficient of gases in a wide range of temperature and pressure and related thermodynamic properties. The fugacity coefficients of the gases H2, D2, CO2, HBr, and Ga(CH3)3 are calculated in the temperature range from 30 to 1000 K and pressure range from 0.1 to 200 atm by using the obtained analytical formula. To our knowledge, this work offers the first approximation to the evaluation of the fugacity coefficients for the gases HBr and Ga(CH3)3 by the second virial coefficients. The results obtained using the analytical formula of the fugacity coefficient are in good agreement with the literature.