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Thermodynamic descriptions of the BaO-CaO, BaO-SrO, BaO-SiO2 and SrO-SiO2 systems

  • Rui Zhang*
  • , Huahai Mao
  • , Pekka Taskinen
  • *Corresponding author for this work
  • KTH Royal Institute of Technology
  • Thermo-Calc Software AB

Research output: Contribution to journalArticleScientificpeer-review

20 Citations (Scopus)

Abstract

In order to provide an adequate basis for extrapolation into higher order oxide systems, a thermodynamic assessment was performed on the BaO-CaO, BaO-SrO, BaO-SiO2 and SrO-SiO2 binary systems by critically evaluating the available experimental data and Previous thermodynamic modeling. Associate solution model was applied to describe the molten phase in the BaO-SiO2 and SrO-SiO2 systems. Two associates, Ba2SiO4 and BaSiO3, were tested and compared with the previous assessment with only one associate Ba2SiO4. A set of self-consistent thermodynamic parameters for the descriptions of each oxide system is presented. The phase diagrams, thermodynamic properties including activities, standard enthalpies of formation at 298.15 K and enthalpy increments were calculated according to the thermodynamic parameters acquired in the present work. For the BaO-SiO2 and SrO-SiO2 systems, the site fractions of species in the liquid were calculated to illustrate the chemical short-range order tendency of the compound(s) in the liquid phase. (C) 2016 Elsevier Ltd. All rights reserved.

Original languageEnglish
Pages (from-to)107-116
Number of pages10
JournalCalphad: Computer Coupling of Phase Diagrams and Thermochemistry
Volume54
DOIs
Publication statusPublished - Sept 2016
MoE publication typeA1 Journal article-refereed

Funding

This research was financially supported by Association of Finnish Steel and Metal Producers, Tekes and System Integrated Metal Processes (SIMP) program by FIMECC.

Keywords

  • CALPHAD
  • Associate solution model
  • BaO
  • STANDARD MOLAR ENTHALPIES
  • PHASE-EQUILIBRIA
  • DIELECTRIC-PROPERTIES
  • SILICATE-GLASSES
  • HEAT-CAPACITY
  • BINARY-SYSTEM
  • OXIDE-SILICA
  • STRONTIUM
  • BARIUM
  • MICROSTRUCTURE

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