Kirkwood-Buff integrals in aqueous solutions of 3-methylpyridine

Research output: Contribution to journalArticle

29 Citations (Scopus)

Abstract

Small-angle neutron scattering measurements were performed on 3-methylpyridine (3MP) - heavy water mixtures in the mole fraction range of 0.005-0.25 at 25 °C. The obtained zero-angle scattering intensities were used together with thermodynamic data to obtain Kirkwood-Buff integrals. Calculations for 3 MP - water mixtures using thermodynamic data available in the literature indicated the inaccuracy of the excess Gibbs free energy data. The extraordinary high values of the Kirkwood-Buff integrals for the 3 MP - heavy water system together with thermodynamic arguments show that first indications of the liquid-liquid phase separation can be seen already at 25 °C, which is much below the lower critical solution temperature. The analysis of the excess (or deficit) number of molecules surrounding a central one allowed us to conclude that strong clustering occurs in the mixture.

Original languageEnglish
Pages (from-to)89-98
Number of pages10
JournalJournal of Molecular Liquids
Volume101
Issue number1-3
DOIs
Publication statusPublished - Nov 2002

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Deuterium Oxide
Heavy water
heavy water
Thermodynamics
aqueous solutions
thermodynamics
Liquids
Gibbs free energy
Neutron scattering
Phase separation
indication
liquid phases
neutron scattering
Scattering
Molecules
Water
liquids
scattering
water
3-methylpyridine

Keywords

  • Hydrophobic hydration
  • Kirkwood-Buff integrals
  • Phase separation
  • Small-angle neutron scattering

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Atomic and Molecular Physics, and Optics

Cite this

Kirkwood-Buff integrals in aqueous solutions of 3-methylpyridine. / Almásy, L.; Cser, L.; Jancsó, G.

In: Journal of Molecular Liquids, Vol. 101, No. 1-3, 11.2002, p. 89-98.

Research output: Contribution to journalArticle

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AU - Jancsó, G.

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N2 - Small-angle neutron scattering measurements were performed on 3-methylpyridine (3MP) - heavy water mixtures in the mole fraction range of 0.005-0.25 at 25 °C. The obtained zero-angle scattering intensities were used together with thermodynamic data to obtain Kirkwood-Buff integrals. Calculations for 3 MP - water mixtures using thermodynamic data available in the literature indicated the inaccuracy of the excess Gibbs free energy data. The extraordinary high values of the Kirkwood-Buff integrals for the 3 MP - heavy water system together with thermodynamic arguments show that first indications of the liquid-liquid phase separation can be seen already at 25 °C, which is much below the lower critical solution temperature. The analysis of the excess (or deficit) number of molecules surrounding a central one allowed us to conclude that strong clustering occurs in the mixture.

AB - Small-angle neutron scattering measurements were performed on 3-methylpyridine (3MP) - heavy water mixtures in the mole fraction range of 0.005-0.25 at 25 °C. The obtained zero-angle scattering intensities were used together with thermodynamic data to obtain Kirkwood-Buff integrals. Calculations for 3 MP - water mixtures using thermodynamic data available in the literature indicated the inaccuracy of the excess Gibbs free energy data. The extraordinary high values of the Kirkwood-Buff integrals for the 3 MP - heavy water system together with thermodynamic arguments show that first indications of the liquid-liquid phase separation can be seen already at 25 °C, which is much below the lower critical solution temperature. The analysis of the excess (or deficit) number of molecules surrounding a central one allowed us to conclude that strong clustering occurs in the mixture.

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