Isotope effects on vapor phase 2nd virial coefficients

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

Isotope effects on vapor phase 2nd virial coefficients

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

Research output: Contribution to journal › Conference article › peer-review

3 Citations (Scopus)

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Abstract

Vapor phase 2nd virial coefficient isotope effects (VCIE's) are interpreted. A useful correlation is developed between -Δ(ℬ-b_o)/(ℬ-b_o) = (-VCIE) and the reference condensed phase reduced isotopic partition function ratio [ln(f_c/f_g)]*. ℬ is the second virial coefficient, b_o = 2πσ³/3, σ is the Lennard-Jones size parameter, and Δ is an isotopic difference, light-heavy. [ln(f_c/f_g)]* can be obtained from vapor pressure isotope effects for T/T_CRITICAL < 0.7. Also (-VCIE) = ln(f_p/f_g²), where ln(f_p/f_g²) is the reduced isotopic partition function ratio describing the equilibrium between monomers and interacting pairs. At temperatures well removed from crossovers in ln(f_p/f_g²) or [ln(f_c/f_g)]*, ln(f_p/f_g²) = (0.4±0.2) [ln(f_c/f_g)]*.

Original language	English
Pages (from-to)	S47-S51
Journal	Nukleonika
Volume	47
Issue number	SUPPL.1
Publication status	Published - 1 Dec 2002
Event	International Conference on an Istope Odyssey - Zakopane, Poland Duration: 24 Jun 2001 → 29 Jun 2001

Keywords

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

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@article{91b27058217c471283299fbbd610f843,

title = "Isotope effects on vapor phase 2nd virial coefficients",

abstract = "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)]*.",

keywords = "Isotope effects, Lennard-Jones potential, Reduced partition function ratio, Vapor phase, Vapor pressure isotope effects, Virial coefficients",

author = "\{Van Hook\}, \{W. Alexander\} and Rebelo, \{Luis P. N.\} and Max Wolfsberg",

year = "2002",

month = dec,

day = "1",

language = "English",

volume = "47",

pages = "S47--S51",

journal = "Nukleonika",

issn = "0029-5922",

publisher = "Institute of Nuclear Chemistry and Technology; 1999",

number = "SUPPL.1",

note = "International Conference on an Istope Odyssey ; Conference date: 24-06-2001 Through 29-06-2001",

}

TY - JOUR

T1 - Isotope effects on vapor phase 2nd virial coefficients

AU - Van Hook, W. Alexander

AU - Rebelo, Luis P. N.

AU - Wolfsberg, Max

PY - 2002/12/1

Y1 - 2002/12/1

N2 - 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)]*.

AB - 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)]*.

KW - Isotope effects

KW - Lennard-Jones potential

KW - Reduced partition function ratio

KW - Vapor phase

KW - Vapor pressure isotope effects

KW - Virial coefficients

UR - https://www.scopus.com/pages/publications/33645969852

M3 - Conference article

AN - SCOPUS:33645969852

SN - 0029-5922

VL - 47

SP - S47-S51

JO - Nukleonika

JF - Nukleonika

IS - SUPPL.1

T2 - International Conference on an Istope Odyssey

Y2 - 24 June 2001 through 29 June 2001

ER -

Isotope effects on vapor phase 2nd virial coefficients

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Keywords

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