CsF-CaF_2系熔盐相图的计算机预报与实验测定  

Computerized prediction and experimental confirmation of the phase diagram of CsF-CaF_2 system

作　　者：丁益民[1] 迟亮[1] 陈念贻 

机构地区：[1]上海大学理学院化学系计算机化学研究室,上海200436

出　　处：《计算机与应用化学》2002年第6期721-722,共2页Computers and Applied Chemistry

基　　金：国家自然科学基金委和美国福特公司联合资助(9716214)

摘　　要：用支持向量机算法总结了已知的29个AF-BF_2型二元熔盐系形成A_2BF_4的化合物与否的规律性。结果表明:若按已有的文献报道认为CsF-CaF_2系不形成分子式为Cs_2CaF_4的化合物,则与其他29个系总结出的规律有矛盾。因此我们用差热分析和平衡固相的X-射线分析对该系相图重新测定。结果证明确实存在前人忽略了的异分熔化的中间化合物Cs_2CaF_4。Support vector machine has been used to find the regularities of formation of intermediate compounds of A2BF4 type from the data of 29 binary systems of the type of AF-BF2 . It has been found that the results of determination of the phase diagram of CsF-CaF2 system (It is re-ported that Cs2CaF4 is non-existent in this system) reported in the literature is in contradiction with the mathematical modei found from the data of other 29 AF-BF2 systems. Based on this result, the phase diagram of CsF-CaF2 system has been re-deteiroined in our laboratory. And the existence of a new intermediate compound, Cs2CaF4, has been confirmed.

关 键 词：CSF CAF2 熔盐 计算机预报 支持向量回归 Cs2CaF4 相图测定 氟化钙 氟化铯 中间化合物 

分 类 号：O642.42[理学—物理化学] O6-39[理学—化学]