Ab initio molecular dynamics assessment of thermodynamic and transport properties in (K,Li)Cl and (K, Na)Cl molten salt mixtures
Manh‐Thuong Nguyen, Vassiliki‐Alexandra Glezakou, Jason Lonergan, Bruce K. McNamara, Patricia Paviet, Roger Rousseau
Topics & Concepts
Molten saltChemistryThermodynamicsSalt (chemistry)Molecular dynamicsAb initioMixing (physics)Heat capacityPhase (matter)Physical chemistryChemical physicsInorganic chemistryComputational chemistryOrganic chemistryQuantum mechanicsPhysicsMolten salt chemistry and electrochemical processesThermodynamic and Structural Properties of Metals and AlloysAdvanced Battery Materials and Technologies