About this Abstract |
Meeting |
2020 TMS Annual Meeting & Exhibition
|
Symposium
|
Computational Materials Science and Engineering of Materials in Nuclear Reactors
|
Presentation Title |
Influence of Coordination Numbers on Representing Molten Salts for Nuclear Reactor Applications Using the Modified Quasi-Chemical Model (MQM) |
Author(s) |
Matthew Christian, Theodore Besmann |
On-Site Speaker (Planned) |
Matthew Christian |
Abstract Scope |
Accurately modeling the thermochemical properties of fuel/coolant mixtures in molten salt reactors (MSRs) is critical to simulating operational conditions and accidental scenarios. The modified quasi-chemical model (MQM) is frequently used to represent the salt’s molten state because it accounts for short-range ordering that arises from strong ionic interactions via atomic coordination numbers. Coordination numbers for each atomic species are typically approximated from representative crystal solids and may not be reflective of the molten state. Therefore, the short-range ordering imposed by the coordination numbers may produce inaccurate phase relations. This presentation will show how coordination numbers, and hence short-range ordering, influences modeled phase diagrams using the MQM and how a of realistic understanding can be implemented. |
Proceedings Inclusion? |
Planned: Supplemental Proceedings volume |