Caisheng Guo , Yuling Liu , Jing Tan , Yong Du , Wei Chen , Tengfei Deng
{"title":"CaO-MgO-P2O5 体系的相平衡研究和热力学评估","authors":"Caisheng Guo , Yuling Liu , Jing Tan , Yong Du , Wei Chen , Tengfei Deng","doi":"10.1016/j.calphad.2024.102711","DOIUrl":null,"url":null,"abstract":"<div><p>The phase diagram of the CaO–MgO–P<sub>2</sub>O<sub>5</sub> system was established by both experimental investigation and thermodynamic assessment. The presence of the contentious binary compound Ca<sub>4</sub>P<sub>6</sub>O<sub>19</sub> in the CaO–P<sub>2</sub>O<sub>5</sub> system was confirmed. The phase relationships in the CaO–MgO–P<sub>2</sub>O<sub>5</sub> system at temperature 1150 °C and 1200 °C were studied via high-temperature quenching experiments in conjunction with X-ray diffraction (XRD) and electron probe micro-analyzer (EPMA) techniques. The CaO–MgO–P<sub>2</sub>O<sub>5</sub> system was critically evaluated and optimized by means of the CALPHAD (CALculation of PHAse Diagrams) methodology. The ionic two-sublattice model (Ca<sup>+2</sup>, Mg<sup>+2</sup>)<sub>P</sub> (O<sup>−2</sup>,PO<sub>3</sub><sup>−1</sup>,PO<sub>4</sub><sup>−3</sup>,PO<sub>7/2</sub><sup>−2</sup>,PO<sub>5/2</sub>)<sub>Q</sub> is used to describe the liquid phase in the CaO–MgO–P<sub>2</sub>O<sub>5</sub> system due to the ionic nature of oxide melts and the presence of ions with different charges. A set of self-consistent thermodynamic parameters were obtained, showing good agreement between the experimental data and the calculated results. This study holds significant implications for guiding the manufacturing processes of phosphate ceramics.</p></div>","PeriodicalId":9436,"journal":{"name":"Calphad-computer Coupling of Phase Diagrams and Thermochemistry","volume":"86 ","pages":"Article 102711"},"PeriodicalIF":1.9000,"publicationDate":"2024-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Phase equilibria study and thermodynamic assessment of CaO–MgO–P2O5 system\",\"authors\":\"Caisheng Guo , Yuling Liu , Jing Tan , Yong Du , Wei Chen , Tengfei Deng\",\"doi\":\"10.1016/j.calphad.2024.102711\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>The phase diagram of the CaO–MgO–P<sub>2</sub>O<sub>5</sub> system was established by both experimental investigation and thermodynamic assessment. The presence of the contentious binary compound Ca<sub>4</sub>P<sub>6</sub>O<sub>19</sub> in the CaO–P<sub>2</sub>O<sub>5</sub> system was confirmed. The phase relationships in the CaO–MgO–P<sub>2</sub>O<sub>5</sub> system at temperature 1150 °C and 1200 °C were studied via high-temperature quenching experiments in conjunction with X-ray diffraction (XRD) and electron probe micro-analyzer (EPMA) techniques. The CaO–MgO–P<sub>2</sub>O<sub>5</sub> system was critically evaluated and optimized by means of the CALPHAD (CALculation of PHAse Diagrams) methodology. The ionic two-sublattice model (Ca<sup>+2</sup>, Mg<sup>+2</sup>)<sub>P</sub> (O<sup>−2</sup>,PO<sub>3</sub><sup>−1</sup>,PO<sub>4</sub><sup>−3</sup>,PO<sub>7/2</sub><sup>−2</sup>,PO<sub>5/2</sub>)<sub>Q</sub> is used to describe the liquid phase in the CaO–MgO–P<sub>2</sub>O<sub>5</sub> system due to the ionic nature of oxide melts and the presence of ions with different charges. A set of self-consistent thermodynamic parameters were obtained, showing good agreement between the experimental data and the calculated results. This study holds significant implications for guiding the manufacturing processes of phosphate ceramics.</p></div>\",\"PeriodicalId\":9436,\"journal\":{\"name\":\"Calphad-computer Coupling of Phase Diagrams and Thermochemistry\",\"volume\":\"86 \",\"pages\":\"Article 102711\"},\"PeriodicalIF\":1.9000,\"publicationDate\":\"2024-06-05\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Calphad-computer Coupling of Phase Diagrams and Thermochemistry\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0364591624000531\",\"RegionNum\":3,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Calphad-computer Coupling of Phase Diagrams and Thermochemistry","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0364591624000531","RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Phase equilibria study and thermodynamic assessment of CaO–MgO–P2O5 system
The phase diagram of the CaO–MgO–P2O5 system was established by both experimental investigation and thermodynamic assessment. The presence of the contentious binary compound Ca4P6O19 in the CaO–P2O5 system was confirmed. The phase relationships in the CaO–MgO–P2O5 system at temperature 1150 °C and 1200 °C were studied via high-temperature quenching experiments in conjunction with X-ray diffraction (XRD) and electron probe micro-analyzer (EPMA) techniques. The CaO–MgO–P2O5 system was critically evaluated and optimized by means of the CALPHAD (CALculation of PHAse Diagrams) methodology. The ionic two-sublattice model (Ca+2, Mg+2)P (O−2,PO3−1,PO4−3,PO7/2−2,PO5/2)Q is used to describe the liquid phase in the CaO–MgO–P2O5 system due to the ionic nature of oxide melts and the presence of ions with different charges. A set of self-consistent thermodynamic parameters were obtained, showing good agreement between the experimental data and the calculated results. This study holds significant implications for guiding the manufacturing processes of phosphate ceramics.
期刊介绍：
The design of industrial processes requires reliable thermodynamic data. CALPHAD (Computer Coupling of Phase Diagrams and Thermochemistry) aims to promote computational thermodynamics through development of models to represent thermodynamic properties for various phases which permit prediction of properties of multicomponent systems from those of binary and ternary subsystems, critical assessment of data and their incorporation into self-consistent databases, development of software to optimize and derive thermodynamic parameters and the development and use of databanks for calculations to improve understanding of various industrial and technological processes. This work is disseminated through the CALPHAD journal and its annual conference.
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