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This study reveals how molten potassium titanate structures change with composition and temperature. Higher temperatures and potassium oxide content lead to simpler structures and decreased melt viscosity.

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Area of Science:

  • Materials Science
  • Physical Chemistry
  • Geochemistry

Background:

  • Understanding the structure of molten alkali titanates is crucial for controlling their properties.
  • Previous studies have explored similar systems, but a detailed quantitative analysis of species distribution in K2O·nTiO2 melts was lacking.

Purpose of the Study:

  • To quantitatively determine the distribution of titanium-oxygen species in molten K2O·nTiO2 (n = 0.5, 1, 2, 3, 4, 6).
  • To investigate the correlation between melt structure, temperature, and viscosity.
  • To elucidate the role of K2O content in modifying the structure of titanate melts.

Main Methods:

  • In situ high-temperature Raman spectroscopy was employed to analyze melt samples.
  • Quantum chemical (QC) ab initio calculations were used to model titanium-oxygen clusters.
  • Voigt function deconvolution was applied for quantitative analysis of spectral data.

Main Results:

  • Melts with high n (≥ 4) primarily contain [TiO4] and [TiO5] species, with minor [TiO6] octahedra.
  • [TiO4] tetrahedra dominate the melt structure as K2O content increases (n < 4).
  • Melt viscosity decreases with increasing temperature and K2O content.

Conclusions:

  • The structural evolution of K2O·nTiO2 melts is strongly dependent on the molar ratio n.
  • A clear relationship exists between the speciation in the melt and its macroscopic property, viscosity.
  • This research provides fundamental insights into the structure-property relationships of titanate-based melts.