About this Abstract |
| Meeting |
Materials Science & Technology 2020
|
| Symposium
|
Thermodynamics of Materials in Extreme Environments
|
| Presentation Title |
The LiF–ZrF4 System Revisited - An Updated Thermodynamic Description Using New Information Data |
| Author(s) |
Juliano Schorne Pinto, Matthew Christian, Timothy Lynch, Wilson Chiu, Theodore Besmann |
| On-Site Speaker (Planned) |
Juliano Schorne Pinto |
| Abstract Scope |
The LiF-ZrF4 system has been revisited and incorporated into the Molten Salt Thermodynamic Database (MSTDB). This study reviewed the structural information and phase equilibria of the LiF-ZrF4 system by checking the consistency of previous thermodynamic models with experimental data and supplemented with calculations using density-functional theory (DFT). This improves the system model using the modified quasi-chemical model (MQM) to simulate the salt’s molten state. The model is compared to results from density-functional theory and experimental observations of the LiF-ZrF4 system. |