Preprint Article Version 1 Preserved in Portico This version is not peer-reviewed

Developing Practical Models of Complex Salts for Molten Salt Reactors

Version 1 : Received: 2 June 2021 / Approved: 3 June 2021 / Online: 3 June 2021 (11:50:13 CEST)

How to cite: Besmann, T.M.; Schorne-Pinto, J. Developing Practical Models of Complex Salts for Molten Salt Reactors. Preprints 2021, 2021060110 (doi: 10.20944/preprints202106.0110.v1). Besmann, T.M.; Schorne-Pinto, J. Developing Practical Models of Complex Salts for Molten Salt Reactors. Preprints 2021, 2021060110 (doi: 10.20944/preprints202106.0110.v1).

Abstract

olten 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 ap-proach to system modeling requires fitting parameters using standard thermodynamic data such as phase equilibria, heat capacity, and others. 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 genera-tion of useful models.

Subject Areas

Thermodynamic modeling; CALPHAD; molten salt; molten salt reactor; thermodynamic database; modified quasichemical model; fluoride salt; chloride salt; salt system

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