For the first time,the mechanism of metal aluminum dissolution in NaF-ScF_(3) eutectic melts and the chemical interaction between the constituents of this mixture have been thoroughly studied by a combination of diffe...For the first time,the mechanism of metal aluminum dissolution in NaF-ScF_(3) eutectic melts and the chemical interaction between the constituents of this mixture have been thoroughly studied by a combination of differential thermal analysis(DTA),high temperature and solid-state nuclear magnetic resonance(NMR),and X-ray diffraction(XRD) coupled with the molecular dynamic simulations.The formation of an insoluble Al_(3)Sc alloy in molten(NaF-ScF_(3))_(eut)system was proven,and the chemical mechanism of this aluminothermic Al_(3)Sc alloy production was elucidated.Corresponding ex situ examinations bring to light the formation of NaScF_4 and solid solution of Na_(3)(Al,Sc)F_(6) in cooled bath.The molecular dynamics calculations of the bath allow us to construct the structural model and to predict viscosity,density and electrical conductivity of the reagent melt to help to optimize the conditions of the alloy synthesis.展开更多
基金Financial supports from the IR INFRANALYTICS FR2054from Slovak grant agency (VEGA 2/0046/22)+1 种基金ITMS project (with code 313021T081) supported by Research and Innovation Operational program funded by the ERDFthe Kazan Federal University Strategic Academic Leadership Program》 (Priority-2030)。
文摘For the first time,the mechanism of metal aluminum dissolution in NaF-ScF_(3) eutectic melts and the chemical interaction between the constituents of this mixture have been thoroughly studied by a combination of differential thermal analysis(DTA),high temperature and solid-state nuclear magnetic resonance(NMR),and X-ray diffraction(XRD) coupled with the molecular dynamic simulations.The formation of an insoluble Al_(3)Sc alloy in molten(NaF-ScF_(3))_(eut)system was proven,and the chemical mechanism of this aluminothermic Al_(3)Sc alloy production was elucidated.Corresponding ex situ examinations bring to light the formation of NaScF_4 and solid solution of Na_(3)(Al,Sc)F_(6) in cooled bath.The molecular dynamics calculations of the bath allow us to construct the structural model and to predict viscosity,density and electrical conductivity of the reagent melt to help to optimize the conditions of the alloy synthesis.
