About this Abstract |
Meeting |
2022 TMS Annual Meeting & Exhibition
|
Symposium
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Materials and Chemistry for Molten Salt Systems
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Presentation Title |
Ab Initio Molecular Dynamics Study of Thermophysical and Transport Properties for High Temperature LiCl-KCl and NaCl-MgCl2 System |
Author(s) |
Kai Duemmler, Yuxiao Lin, Michael Woods, Toni Karlsson, Ruchi Gahkar, Benjamin Beeler |
On-Site Speaker (Planned) |
Kai Duemmler |
Abstract Scope |
Molten Salt Reactors (MSRs) are considered one pathway towards the carbon free future. MSRs are a safer and more economical method of nuclear electricity generation. The two main designs for MSRs use either a chloride or fluoride salt as a moderator and/or fuel salt. There exists a significant knowledge gap in the fundamental properties of some of these salts at the relevant temperatures and conditions for the MSRs. Through the use of ab initio molecular dynamics, it is possible to investigate the atomic interaction. In this work, the thermophysical properties of LiCl-KCl and NaCl-MgCl¬2 are studied including density, compressibility, heat capacity, enthalpy of mixing, and Gibbs free energy of mixing. Additionally, several transport properties are also studied including self-diffusion coefficient, viscosity, and the thermal conductivity. Results are compared with recent state-of-the-art experimental investigations. |
Proceedings Inclusion? |
Planned: |
Keywords |
Modeling and Simulation, |