Equilibrium of O2- + Oo = 2O- in oxide melts -examinations of its reality by three approaches

Toshio Yokokawa, Katsuyuki Kawamura, Hideki Maekawa, Naoya Sawaguchi

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Abstract

The traditional thermodynamic view of the oxide melts, in which the chemical equilibrium is assumed, was examined by an atomistic view by the NMR spectroscopy and molecular dynamics (MD) simulation. They support usefulness of that equilibrium. 29Si NMR gives a minor details of modification reaction of the acid oxide network. It is quite interesting that MD simulation separates the oxide ions into those three groups.

Original languageEnglish
Pages (from-to)311-321
Number of pages11
JournalJournal of Molecular Liquids
Volume83
Issue number1-3
Publication statusPublished - Dec 1 1999

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ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Spectroscopy
  • Physical and Theoretical Chemistry
  • Materials Chemistry

Cite this

Yokokawa, T., Kawamura, K., Maekawa, H., & Sawaguchi, N. (1999). Equilibrium of O2- + Oo = 2O- in oxide melts -examinations of its reality by three approaches. Journal of Molecular Liquids, 83(1-3), 311-321.