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Thermodynamic descriptions of the BaO-CaO, BaO-SrO, BaO-SiO2 and SrO-SiO2 systems
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering.ORCID iD: 0000-0002-8493-9802
2016 (English)In: Calphad, ISSN 0364-5916, E-ISSN 1873-2984, Vol. 54, 107-116 p.Article in journal (Refereed) Published
Abstract [en]

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.

Place, publisher, year, edition, pages
Elsevier, 2016. Vol. 54, 107-116 p.
Keyword [en]
CALPHAD, Associate solution model, BaO
National Category
Metallurgy and Metallic Materials
URN: urn:nbn:se:kth:diva-193817DOI: 10.1016/j.calphad.2016.06.009ISI: 000383301400009ScopusID: 2-s2.0-84990043606OAI: diva2:1038597

QC 20161019

Available from: 2016-10-19 Created: 2016-10-11 Last updated: 2016-10-19Bibliographically approved

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Mao, Huahai
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