Applications of Thermochemical Modeling in Molten Salt Reactors

Besmann, Theodore M.; Schorne-Pinto, Juliano; Aziziha, Mina; Mofrad, Amir M.; Booth, Ronald E.; Yingling, Jacob A.; Paz Soldan Palma, Jorge; Dixon, Clara M.; Wilson, Jack A.; Hartanto, Donny

doi:10.3390/ma17020495

Title: Applications of Thermochemical Modeling in Molten Salt Reactors

Journal Article · 19 January 2024 · Materials

DOI: https://doi.org/10.3390/ma17020495 · OSTI ID:2282226

;

; Aziziha, Mina; Mofrad, Amir M.;

; Yingling, Jacob A.; Paz Soldan Palma, Jorge; Dixon, Clara M.; Wilson, Jack A.;

The extensively evaluated and consistent thermodynamic database, the Molten Salt Thermal Properties Database—Thermochemical (MSTDB-TC), was used along with additional thermodynamic values from other sources as examples of ways to examine molten salt reactor (MSR) fuel behavior. Relative stability with respect to halide potential and temperature for likely fuel and fission product components were mapped in Ellingham diagrams for the chloride and fluoride systems. The Ellingham diagrams provide a rich, visual means for identifying halide-forming components in proposed fuel/solvent salt systems. Thermochemical models and values from MSTDB-TC and ancillary sources were used in global equilibrium calculations to provide compositions for a close analysis of the behavior of a possible Molten Chloride Salt Fast Reactor and a Molten Salt Reactor Experiment-type system at high burnup (100 GWd/t). The results illustrated the oxidative nature of burnup in MSRs and provided information about redox behavior and possible control.

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Research Organization:: Idaho National Laboratory (INL), Idaho Falls, ID (United States); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); University of South Carolina, Columbia, SC (United States)

Sponsoring Organization:: USDOE; USDOE Office of Nuclear Energy (NE), Nuclear Energy University Program (NEUP); USDOE Office of Nuclear Energy (NE). Nuclear Energy Advanced Modeling and Simulation (NEAMS)

Grant/Contract Number:: AC05-00OR22725; AC07-05ID14517; NE0008985

OSTI ID:: 2282226

Report Number(s):: INL/JOU--24-77702-Revision-0; PII: ma17020495

Journal Information:: Materials, Journal Name: Materials Journal Issue: 2 Vol. 17; ISSN MATEG9; ISSN 1996-1944

Publisher:: MDPI AGCopyright Statement

Country of Publication:: Switzerland

Language:: English

References (19)

Thermochemical Data of Pure Substances Barin, Ihsan https://doi.org/10.1002/9783527619825	book	October 1995
The modified quasi-chemical model: Part IV. Two-sublattice quadruplet approximation Pelton, Arthur D.; Chartrand, Patrice; Eriksson, Gunnar Metallurgical and Materials Transactions A, Vol. 32, Issue 6 https://doi.org/10.1007/s11661-001-0230-7	journal	June 2001
Thermodynamic optimization of the selenium-arsenic (Se-As) system Degterov, S. A.; Pelton, A. D.; L'Ecuyer, J. D. Journal of Phase Equilibria, Vol. 18, Issue 4 https://doi.org/10.1007/s11669-997-0062-2	journal	August 1997
Redox condition in molten fluoride salts Olander, D. Journal of Nuclear Materials, Vol. 300, Issue 2-3 https://doi.org/10.1016/S0022-3115(01)00742-5	journal	February 2002
FactSage thermochemical software and databases, 2010–2016 Bale, C. W.; Bélisle, E.; Chartrand, P. Calphad, Vol. 54 https://doi.org/10.1016/j.calphad.2016.05.002	journal	September 2016
The thermochemistry library Thermochimica Piro, M. H. A.; Simunovic, S.; Besmann, T. M. Computational Materials Science, Vol. 67 https://doi.org/10.1016/j.commatsci.2012.09.011	journal	February 2013
Redox potential control in molten salt systems for corrosion mitigation Zhang, Jinsuo; Forsberg, Charles W.; Simpson, Michael F. Corrosion Science, Vol. 144 https://doi.org/10.1016/j.corsci.2018.08.035	journal	November 2018
Thermodynamic measurements and assessments for LiCl-NaCl-KCl-UCl3 systems Yingling, J. A.; Schorne-Pinto, J.; Aziziha, M. The Journal of Chemical Thermodynamics, Vol. 179 https://doi.org/10.1016/j.jct.2022.106974	journal	April 2023
First steps toward predicting corrosion behavior of structural materials in molten salts Pillai, R.; Raiman, S. S.; Pint, B. A. Journal of Nuclear Materials, Vol. 546 https://doi.org/10.1016/j.jnucmat.2020.152755	journal	April 2021
Development of the Molten Salt Thermal Properties Database − Thermochemical (MSTDB−TC), example applications, and LiCl−RbCl and UF3−UF4 system assessments Ard, Johnathon C.; Yingling, Jacob A.; Johnson, Kaitlin E. Journal of Nuclear Materials, Vol. 563 https://doi.org/10.1016/j.jnucmat.2022.153631	journal	May 2022
An electrochemical mesoscale tool for modeling the corrosion of structural alloys by molten salt Vivek Bhave, Chaitanya; Zheng, Guiqiu; Sridharan, Kumar Journal of Nuclear Materials, Vol. 574 https://doi.org/10.1016/j.jnucmat.2022.154147	journal	February 2023
Cesium and iodine release from fluoride-based molten salt reactor fuel Beneš, O.; Capelli, E.; Morelová, N. Physical Chemistry Chemical Physics, Vol. 23, Issue 15 https://doi.org/10.1039/D0CP05794K	journal	January 2021
Thermodynamic Evaluation and Optimization of the LiCl-NaCl-KCl-RbCl-CsCl-MgCl ₂ -CaCl ₂ -SrCl ₂ System Using The Modified Quasichemical Model Chartrand, Patrice; Pelton, Arthur D. Canadian Metallurgical Quarterly, Vol. 39, Issue 4 https://doi.org/10.1179/cmq.2000.39.4.405	journal	January 2000
SCALE Code System Wieselquist, William A.; Lefebvre, Robert Alexander; Jessee, Matthew A. https://doi.org/10.2172/1616812	report	April 2020
Integration Roadmap for Multi-Scale, Multi-Physics Mass Accountancy in Molten Salt Reactors Mcmurray, Jake W.; Johnson, Kaitlin; Collins, Benjamin https://doi.org/10.2172/1827046	report	September 2021
Fission product behavior in the Molten Salt Reactor Experiment Compere, E. L.; Kirslis, S. S.; Bohlmann, E. G. https://doi.org/10.2172/4077644	report	October 1975
Chemical Aspects of MSRE Operations Thoma, R. E. https://doi.org/10.2172/4675946	report	January 1971
Fuel Cycle Performance of Fast Spectrum Molten Salt Reactor Designs Rykhlevskii, Andrei; Betzler, Benjamin R.; Bae, Jin Whan Engineering Archive (engrxiv) https://doi.org/10.31224/osf.io/zkvn9	posted_content	February 2019
Developing Practical Models of Complex Salts for Molten Salt Reactors Besmann, Theodore M.; Schorne-Pinto, Juliano Thermo, Vol. 1, Issue 2 https://doi.org/10.3390/thermo1020012	journal	July 2021

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Title: Applications of Thermochemical Modeling in Molten Salt Reactors

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