Deep neural network based quantum simulations and quasichemical theory for accurate modeling of molten salt thermodynamics
Yu Shi, Stephen Lam, Thomas L. Beck
Abstract
obtained from thermo-chemical tables. This study validates the application of QCT and NNIP simulations to the molten salt liquids, allowing for significant insights into the solvation thermodynamics crucial for numerous molten salt applications.
Topics & Concepts
Molten saltThermodynamicsSolvationDual (grammatical number)Salt (chemistry)Artificial neural networkChemistryStatistical physicsMaterials scienceComputer sciencePhysicsPhysical chemistryIonArtificial intelligenceOrganic chemistryArtLiteratureMetallurgical Processes and ThermodynamicsMolten salt chemistry and electrochemical processesCrystallization and Solubility Studies