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CsF-CaF_2系熔盐相图的计算机预报与实验测定 被引量：3

Computerized prediction and experimental confirmation of the phase diagram of CsF-CaF_2 system
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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.
作者 丁益民 迟亮 陈念贻
机构地区 上海大学理学院化学系计算机化学研究室
出处 《计算机与应用化学》 CAS CSCD 北大核心 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)
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 support vector mac1 hine new compound prediction Cs2CaF4 phase diagram determination
分类号 O642.42 [理学—物理化学] O6-39 [理学—化学]
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共引文献109

同被引文献38

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计算机与应用化学
2002年 第6期

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