About this Abstract |
Meeting |
MS&T24: Materials Science & Technology
|
Symposium
|
Ceramic Materials for Nuclear Energy Systems
|
Presentation Title |
Thermodynamic Modeling of the LiF-NaF-(La,Ce,Pu)F3 Systems for Molten Salt Reactor Applications |
Author(s) |
Jorge F. Paz Soldan , Amir Mofrad, Juliano Schorne-Pinto, Aiswarya Padinhare Manissery, Theodore M. Besmann |
On-Site Speaker (Planned) |
Jorge F. Paz Soldan |
Abstract Scope |
Understanding the thermodynamic properties of molten salt system as a function of temperature and composition is a key issue for developing molten salt reactors (MSRs). The CALculation of PHAse Diagrams (CALPHAD) method is a well-accepted approach for developing thermodynamic models for multicomponent systems that can yield reasonable predictions of thermodynamic properties based on accurate representations of lower dimensional systems (unary, binary, ternary, etc.) that are assessed from experimental data. However, there often are limited measurements and thus one must rely on correlations/extrapolations and first-principles calculations such as density functional theory (DFT). Specifically, this presentation will describe the DFT calculations supporting CALPHAD modeling of the LiF-NaF-(La,Ce,Pu)F3 pseudo-ternary systems relevant to MSRs. |