【摘要】 用AIF₆^3-络合离子逐级分解模式和亚晶格溶液模型计算了LiF-AlF₃熔体中AlF₆^3-逐级分解常数和分解能分解常数依次为K₁=1.6×10^-1,K₂=1.02,K₃=8.0×10^-2;分解能为H₁=25.7kJ/mol,H₂=30.0kJ/mol,H₃=63.6kJ/mol计算表明,LiF-AlF₃熔体中的络合离子AlF₆^3-较其他碱金属冰晶石体系中的AlF₆^3-有更强的分解趋势和较小的分解能本文还计算了LiF-AlF₃熔体中各组成的摩尔浓度及其它溶液混合热力学量,计算结果与实验值吻合较好更多还原

【Abstract】 The dissociation model of complex ion, combined with the sublattice solutionmodel is applied to calculate constants and heats of dissociation successively of complex ionAlF₆^3-. The results show that AlF₆^3-in LiF-AlF₃ melt has a stronger tendency todissociation and smaller heats of dissociation than that in other alkali fluoride and the alumi-num fluoride system. The molar concentration of each composition in LiF-AlF₃ melts arecalculated, and the thermodynamic properties of mixing for LiF（l） and AlF₃（s） are calculatedas well. The results of calculation agree with experimental results.更多还原