Developing Practical Models of Complex Salts for Molten Salt Reactors
Molten salt reactors (MSRs) utilize salts as coolant or as the fuel and coolant together with fissile isotopes dissolved in the salt. It is necessary to therefore understand the behavior of the salts to effectively design, operate, and regulate such reactors, and thus there is a need for thermodynam...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
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MDPI AG
2021-07-01
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| Series: | Thermo |
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| Online Access: | https://www.mdpi.com/2673-7264/1/2/12 |
| _version_ | 1827600650375004160 |
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| author | Theodore M. Besmann Juliano Schorne-Pinto |
| author_facet | Theodore M. Besmann Juliano Schorne-Pinto |
| author_sort | Theodore M. Besmann |
| collection | DOAJ |
| description | Molten salt reactors (MSRs) utilize salts as coolant or as the fuel and coolant together with fissile isotopes dissolved in the salt. It is necessary to therefore understand the behavior of the salts to effectively design, operate, and regulate such reactors, and thus there is a need for thermodynamic models for the salt systems. Molten salts, however, are difficult to represent as they exhibit short-range order that is dependent on both composition and temperature. A widely useful approach is the modified quasichemical model in the quadruplet approximation that provides for consideration of first- and second-nearest-neighbor coordination and interactions. Its use in the CALPHAD approach to system modeling requires fitting parameters using standard thermodynamic data such as phase equilibria, heat capacity, and others. A shortcoming of the model is its inability to directly vary coordination numbers with composition or temperature. Another issue is the difficulty in fitting model parameters using regression methods without already having very good initial values. The proposed paper will discuss these issues and note some practical methods for the effective generation of useful models. |
| first_indexed | 2024-03-09T04:40:10Z |
| format | Article |
| id | doaj.art-8503a24a1f4f4155a4f100f6de66d755 |
| institution | Directory Open Access Journal |
| issn | 2673-7264 |
| language | English |
| last_indexed | 2024-03-09T04:40:10Z |
| publishDate | 2021-07-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Thermo |
| spelling | doaj.art-8503a24a1f4f4155a4f100f6de66d7552023-12-03T13:21:41ZengMDPI AGThermo2673-72642021-07-011216817810.3390/thermo1020012Developing Practical Models of Complex Salts for Molten Salt ReactorsTheodore M. Besmann0Juliano Schorne-Pinto1Nuclear Engineering Program, University of South Carolina, Columbia, SC 29208, USANuclear Engineering Program, University of South Carolina, Columbia, SC 29208, USAMolten salt reactors (MSRs) utilize salts as coolant or as the fuel and coolant together with fissile isotopes dissolved in the salt. It is necessary to therefore understand the behavior of the salts to effectively design, operate, and regulate such reactors, and thus there is a need for thermodynamic models for the salt systems. Molten salts, however, are difficult to represent as they exhibit short-range order that is dependent on both composition and temperature. A widely useful approach is the modified quasichemical model in the quadruplet approximation that provides for consideration of first- and second-nearest-neighbor coordination and interactions. Its use in the CALPHAD approach to system modeling requires fitting parameters using standard thermodynamic data such as phase equilibria, heat capacity, and others. A shortcoming of the model is its inability to directly vary coordination numbers with composition or temperature. Another issue is the difficulty in fitting model parameters using regression methods without already having very good initial values. The proposed paper will discuss these issues and note some practical methods for the effective generation of useful models.https://www.mdpi.com/2673-7264/1/2/12thermodynamic modelingCALPHADmolten saltmolten salt reactorthermodynamic databasemodified quasichemical model |
| spellingShingle | Theodore M. Besmann Juliano Schorne-Pinto Developing Practical Models of Complex Salts for Molten Salt Reactors Thermo thermodynamic modeling CALPHAD molten salt molten salt reactor thermodynamic database modified quasichemical model |
| title | Developing Practical Models of Complex Salts for Molten Salt Reactors |
| title_full | Developing Practical Models of Complex Salts for Molten Salt Reactors |
| title_fullStr | Developing Practical Models of Complex Salts for Molten Salt Reactors |
| title_full_unstemmed | Developing Practical Models of Complex Salts for Molten Salt Reactors |
| title_short | Developing Practical Models of Complex Salts for Molten Salt Reactors |
| title_sort | developing practical models of complex salts for molten salt reactors |
| topic | thermodynamic modeling CALPHAD molten salt molten salt reactor thermodynamic database modified quasichemical model |
| url | https://www.mdpi.com/2673-7264/1/2/12 |
| work_keys_str_mv | AT theodorembesmann developingpracticalmodelsofcomplexsaltsformoltensaltreactors AT julianoschornepinto developingpracticalmodelsofcomplexsaltsformoltensaltreactors |