Insight into dynamic interaction of molten MgCl2-NaCl-KCl with impurity water via FPMD simulations
Xuejiao Li, Weihua Liu, Zhongfeng Tang, Tingrui Xu, Jian‐Qiang Wang
Topics & Concepts
Molecular dynamicsImpurityIonic bondingMolten saltIonic liquidSalt (chemistry)DiffusionChemical physicsIonSpectral lineChemistryLithium (medication)Materials scienceInorganic chemistryPhysical chemistryComputational chemistryThermodynamicsCatalysisOrganic chemistryPhysicsAstronomyEndocrinologyMedicinePhase Change Materials ResearchMolten salt chemistry and electrochemical processesAdsorption and Cooling Systems