Solubility isotope effects in aqueous solutions of methane

Z. Bacsik, J. N. Canongia Lopes, M. F. Costa Gomes, G. Jancsó, J. Mink, A. A H Pádua

Research output: Contribution to journalArticle

23 Citations (Scopus)

Abstract

The solubility isotope effect on the Henry's law coefficients of methane in aqueous solutions was interpreted using the statistical mechanical theory of condensed phase isotope effects. The theory was based on the evaluation of the reduced partition function ratios for each phase at equilibrium. The missing sets of spectroscopic data were obtained experimentally by infrared spectroscopy using molecular dynamics simulation methods. Results indicated that the statistical mechanical theory of condensed phase isotope effects could treat solubility effects in solution as a particular case of isotope effects in vapor-liquid equilibrium.

Original languageEnglish
Pages (from-to)10816-10824
Number of pages9
JournalThe Journal of Chemical Physics
Volume116
Issue number24
DOIs
Publication statusPublished - Jun 22 2002

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Methane
Isotopes
isotope effect
methane
solubility
Solubility
aqueous solutions
Henry law
liquid-vapor equilibrium
Phase equilibria
Molecular dynamics
Infrared spectroscopy
partitions
infrared spectroscopy
molecular dynamics
evaluation
Computer simulation
coefficients
simulation

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Bacsik, Z., Canongia Lopes, J. N., Costa Gomes, M. F., Jancsó, G., Mink, J., & Pádua, A. A. H. (2002). Solubility isotope effects in aqueous solutions of methane. The Journal of Chemical Physics, 116(24), 10816-10824. https://doi.org/10.1063/1.1480012

Solubility isotope effects in aqueous solutions of methane. / Bacsik, Z.; Canongia Lopes, J. N.; Costa Gomes, M. F.; Jancsó, G.; Mink, J.; Pádua, A. A H.

In: The Journal of Chemical Physics, Vol. 116, No. 24, 22.06.2002, p. 10816-10824.

Research output: Contribution to journalArticle

Bacsik, Z, Canongia Lopes, JN, Costa Gomes, MF, Jancsó, G, Mink, J & Pádua, AAH 2002, 'Solubility isotope effects in aqueous solutions of methane', The Journal of Chemical Physics, vol. 116, no. 24, pp. 10816-10824. https://doi.org/10.1063/1.1480012
Bacsik Z, Canongia Lopes JN, Costa Gomes MF, Jancsó G, Mink J, Pádua AAH. Solubility isotope effects in aqueous solutions of methane. The Journal of Chemical Physics. 2002 Jun 22;116(24):10816-10824. https://doi.org/10.1063/1.1480012
Bacsik, Z. ; Canongia Lopes, J. N. ; Costa Gomes, M. F. ; Jancsó, G. ; Mink, J. ; Pádua, A. A H. / Solubility isotope effects in aqueous solutions of methane. In: The Journal of Chemical Physics. 2002 ; Vol. 116, No. 24. pp. 10816-10824.
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