Experimental investigation and thermodynamic description of the BaO-containing oxide system

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dc.contributor Aalto-yliopisto fi
dc.contributor Aalto University en
dc.contributor.advisor Taskinen, Pekka, Prof., Aalto University, Department of Materials Science and Engineering, Finland
dc.contributor.author Zhang, Rui
dc.date.accessioned 2016-08-15T09:01:28Z
dc.date.available 2016-08-15T09:01:28Z
dc.date.issued 2016
dc.identifier.isbn 978-952-60-6934-0 (electronic)
dc.identifier.isbn 978-952-60-6935-7 (printed)
dc.identifier.issn 1799-4942 (electronic)
dc.identifier.issn 1799-4934 (printed)
dc.identifier.issn 1799-4934 (ISSN-L)
dc.identifier.uri https://aaltodoc.aalto.fi/handle/123456789/21262
dc.description.abstract A thermodynamic description of the metallurgical and ceramic system is beneficial when predicting the phase equilibria, thermodynamic properties and other significant properties. The mathematical expression of Gibbs energy has been adopted to realize the thermodynamic description of the systems. Employing the CALPHAD technique, the thermodynamic parameters in the Gibbs energy functions of various phases in the systems can be optimized by fitting with the experimental data available. The thermodynamic assessment of the unary and binary systems plays a fundamental role in the establishment of the thermodynamic database, because the accuracy of the unary and binary data largely determines the reliability of the extrapolation into higher order systems. In the present thesis, experiments were conducted to study the phase equilibria in the BaO-MgO, BaO-Al2O3 and BaO-SiO2 systems. For the BaO-Al2O3 and BaO-SiO2 systems, the liquids was constructed using a high temperature equilibration/quenching/EPMA technique. The phase stability and phase relations (below 1523 K) in the BaO-MgO, BaO-Al2O3 and BaO-SiO2 systems were identified by XRD and SEM/EDS. The literature data combined with the personal experiments were evaluated for thermodynamic modelling. Thermodynamic assessment was performed by means of the CALPHAD technique for the BaO-SrO, BaO-CaO, BaO-MgO, BaO-Al2O3, BaO-SiO2 and SrO-SiO2 systems. For the BaO-SrO, BaO-CaO and BaO-MgO systems, substitutional solution model was adopted to express the molten phase. For the BaO-Al2O3, BaO-SiO2 and SrO-SiO2 systems, associate solution model with one associate was applied to describe the molten phase. Moreover, two associates, Ba2SiO4 and BaSiO3, were tested to model the liquid behavior in the BaO-SiO2 system. The calculated phase diagrams and thermodynamic properties were compared with experimental data. Sets of consistent thermodynamic parameters were presented for the assessed oxide systems. The isothermal section of the BaO-Al2O3-SiO2 ternary system at 1773 K was determined by an equilibration/quenching technique and SEM/EDS. On the basis of the MTOX oxide database, the isothermal sections of this ternary system at 1673 K, 1773 K, 1873 K and 1973 K were calculated. en
dc.format.extent 59 + app. 65
dc.format.mimetype application/pdf en
dc.language.iso en en
dc.publisher Aalto University en
dc.publisher Aalto-yliopisto fi
dc.relation.ispartofseries Aalto University publication series DOCTORAL DISSERTATIONS en
dc.relation.ispartofseries 148/2016
dc.relation.haspart [Publication 1]: Zhang, Rui; Taskinen, Pekka. 2015. Experimental investigation and thermodynamic modelling of the BaO-MgO system. Proceedings of European Metallurgical Conference 2015 (EMC). Düsseldorf, June 14-17. Volume 1. 443-452. ISBN 978-3-940276-61-2
dc.relation.haspart [Publication 2]: Zhang, Rui; Taskinen, Pekka. 2015. A phase equilibria study and thermodynamic assessment of the BaO-Al2O3 system. CALPHAD, 51, 42-50. DOI: 10.1016/j.calphad.2015.07.003
dc.relation.haspart [Publication 3]: Zhang, Rui; Taskinen, Pekka. 2016. Experimental investigation of liquidus and phase stability in the BaO-SiO2 binary system. Journal of Alloys and Compounds, 657, 770-776. DOI: 10.1016/j.jallcom.2015.10.165
dc.relation.haspart [Publication 4]: Zhang, Rui; Mao, Huahai; Halli, Petteri; Taskinen, Pekka. 2016. Experimental phase stability investigation of compounds and thermodynamic assessment of the BaO-SiO2 binary system. Journal of Materials Science, 51, 10, 4984-4995. DOI: 10.1007/S10853-016-9803-0
dc.relation.haspart [Publication 5]: Zhang, Rui; Mao, Huahai; Taskinen, Pekka. 2016. Thermodynamic descriptions of the BaO-CaO, BaO-SrO, BaO-SiO2 and SrOSiO2 systems. CALPHAD, 54, 107-116. DOI: 10.1016/j.calphad.2016.06.009
dc.subject.other Metallurgy en
dc.title Experimental investigation and thermodynamic description of the BaO-containing oxide system en
dc.type G5 Artikkeliväitöskirja fi
dc.contributor.school Kemian tekniikan korkeakoulu fi
dc.contributor.school School of Chemical Technology en
dc.contributor.department Materiaalitekniikan laitos fi
dc.contributor.department Department of Materials Science and Engineering en
dc.subject.keyword phase equilibrium en
dc.subject.keyword thermochemical properties en
dc.subject.keyword CALPHAD en
dc.subject.keyword thermodynamic assessment en
dc.subject.keyword BaO en
dc.identifier.urn URN:ISBN:978-952-60-6934-0
dc.type.dcmitype text en
dc.type.ontasot Doctoral dissertation (article-based) en
dc.type.ontasot Väitöskirja (artikkeli) fi
dc.contributor.supervisor Taskinen, Pekka, Prof., Aalto University, Department of Materials Science and Engineering, Finland
dc.opn Helle, Mikko, Dr., Åbo Akademi University, Finland
dc.contributor.lab Metallurgical Thermodynamics and Modelling Research Group en
dc.rev Tangstad, Merete, Prof., Norges Teknisk-Naturvitenskapelige Universitet, Norway
dc.rev Lindberg, Daniel, Docent, Åbo Akademi University, Finland
dc.date.defence 2016-09-02

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