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化学学报
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化学学报 ›› 1997, Vol. 55 ›› Issue (5): 463-466. 上一篇    下一篇

研究论文

熔盐相图中间化合物CsCl.MnSO4的预报与合成

康德山;王学业;李重河;詹千宝;刘洪霖;陈念贻   

  1. 中国科学院上海冶金研究所
  • 发布日期:1997-05-15

Prediction and synthesis of ternary intermediate compound CsCl. MnSO4 in phase diagram of molten salt system

KANG DESHAN;WANG XUEYE;LI ZHONGHE;ZHAN QIANBAO;LIU HONGLIN;CHEN NIANYI   

  • Published:1997-05-15

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在运用化学键参数方法和模式识别或人工神经网络总结互作用三元系形成三元化合物规律的基础上, 预报了Cs^+,Mn^2^+|Cl^-, SO4^2^-系能形成三元化合物CsCl. MnSO4。经实验合成和X射线衍射验证, 上述化合物确实存在, 并测定了CsCl-MnSO4系相图的液相线, 其中间化合物熔点的预报值与实测值基本一致。

关键词: Ｘ射线衍射分析, 化学键, 氯化铯, 模式识别, 相图, 硫酸锰, 神经网络

Artificial neural network or pattern recognition with chemical bond parameters as imputs or features is applied to reciprocal ternary systems. After training with the known data, the mathematical models obtained can be used to make computerized prediction of the formability, the melting point of intermediate compound. Predicted results indicate that the Cs^+, Mn^2^+|Cl^-, SO4^2^- system can form a ternary compound and the melting point of CsCl. MnSO4 is 677℃. The new compound is confirmed by X ray diffraction and the predicted value of CsCl. MnSO4 melting point is in agreement with the experimental one.

Key words: X-RAY DIFFRACTION ANALYSIS, CHEMICAL BONDS, CESIUM CHLORIDE, PATTERN RECOGNITION, PHASE DIAGRAM, MANGANESE SULFATE, NEURAL NETWORK

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