Isotope effects on vapor phase 2nd virial coefficients

W. Alexander Van Hook, Luis P. N. Rebelo, Max Wolfsberg

Research output: Contribution to journalConference articlepeer-review

3 Citations (Scopus)
21 Downloads (Pure)


Vapor phase 2nd virial coefficient isotope effects (VCIE's) are interpreted. A useful correlation is developed between -Δ(ℬ-bo)/(ℬ-bo) = (-VCIE) and the reference condensed phase reduced isotopic partition function ratio [ln(fc/fg)]*. ℬ is the second virial coefficient, bo = 2πσ3/3, σ is the Lennard-Jones size parameter, and Δ is an isotopic difference, light-heavy. [ln(fc/fg)]* can be obtained from vapor pressure isotope effects for T/TCRITICAL < 0.7. Also (-VCIE) = ln(fp/fg2), where ln(fp/fg2) is the reduced isotopic partition function ratio describing the equilibrium between monomers and interacting pairs. At temperatures well removed from crossovers in ln(fp/fg2) or [ln(fc/fg)]*, ln(fp/fg2) = (0.4±0.2) [ln(fc/fg)]*.

Original languageEnglish
Pages (from-to)S47-S51
Issue numberSUPPL.1
Publication statusPublished - 1 Dec 2002
EventInternational Conference on an Istope Odyssey - Zakopane, Poland
Duration: 24 Jun 200129 Jun 2001


  • Isotope effects
  • Lennard-Jones potential
  • Reduced partition function ratio
  • Vapor phase
  • Vapor pressure isotope effects
  • Virial coefficients


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