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Isotope effects on vapor phase 2nd virial coefficients
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Resumo(s)
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)]*.
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Isotope effects Lennard-Jones potential Reduced partition function ratio Vapor phase Vapor pressure isotope effects Virial coefficients Nuclear and High Energy Physics Nuclear Energy and Engineering Instrumentation Condensed Matter Physics Safety, Risk, Reliability and Quality Waste Management and Disposal