Thermodynamic Evaluation and Optimization of the CaO-TiO2-SiO2 Ternary System
The thermodynamic equilibrium of the CaO-TiO<sub>2</sub>-SiO<sub>2</sub> system plays a crucial role in the design of ceramic materials. CaO-TiO<sub>2</sub>-SiO<sub>2</sub> ternary systems were thermodynamically evaluated and optimized using the CALculation of PHAse Diagram (CALPHAD) method. The liquid phase was modeled with the ionic two-sublattice model, represented as (Ca<sup>+2</sup>,Ti<sup>+2</sup>,Ti<sup>+3</sup>)<sub>P</sub>(O<sup>-2</sup>,Va,O,TiO<sub>2</sub>,SiO<sub>2</sub>,SiO<sub>4</sub><sup>-4</sup>)<sub>Q</sub>, and the ternary compound was described using the compound energy formalism (CEF) model. A set of self-consistent thermodynamic parameters was obtained for the CaO-TiO<sub>2</sub>-SiO<sub>2</sub> system. The complete parameters are listed, which reliably could describe the phase equilibria and thermodynamic properties of the ternary system. This thermodynamic description provides a valuable foundation for developing larger thermodynamic databases for multicomponent silicate systems.
Authors
- Chenbo Li
- Lideng Ye
- Ziqian Wang (ORCID: https://orcid.org/0000-0002-0282-5941)
- Libin Liu (ORCID: https://orcid.org/0000-0001-8237-7562)
- Ligang Zhang (ORCID: https://orcid.org/0000-0002-6395-9230)
- Junfeng Wu (ORCID: https://orcid.org/0000-0001-5848-2805)
- Wenqing Zhao (ORCID: https://orcid.org/0000-0001-6776-3924)
Institutions
- Central South University (CN)
Publication Details
- Journal
- Materials
- Published
- 2025-09-23
- DOI
- https://doi.org/10.3390/ma18194448
- Citations
- 1
- Primary Topic
- Metallurgical Processes and Thermodynamics
- Type
- article
- Field-Weighted Citation Impact
- 0.71
Funders
- National Key Research and Development Program of China