摘要
提出了一种新的模式识别建模方法-逐级投影法(hierarchical projection method),并将该方法用于二元溴化物系(MBr-M’Br_2)中间化合物形成规律的研究。在由原子键参数(z/r)_M、X_M'、I_M、I_M',张成的多维空间中,能形成和不能形成MBr-M'Br_2系中间化合物的样本点分布在不同的区域。利用HP方法得到的超多面体模型可描述MBr-M'Br_2系中间化合物在多维空间中分布区域的边界,在此基础上预报RbBr-CaBr_2和CsBr-CaBr_2这2个熔盐体系可形成中间化合物,结果得到实验证实。
A new pattern recognition method called hierarchical projection (HP) method has been proposed for investigating the regularities of formation of binary complex compound in MBr-M'Br2 system, using the atomic parameters (z/r)M,XM',IM,IM, It has been found that the representative points of binary complex compound-forming of MBr-M'Br2 systems and those of systems without binary complex compound are distributed in different regions in the multidimensional space spanned by the atomic parameters . By using HP method, a hyper-polyhedron model can be obtained to describe the boundaries of the zone where all the samples of binary complex compound-forming are distributed. It is proved that RbBr-CaBr2 and CsBr-CaBr2 are binary complex compound-forming system according to the hyper-polyhedron model obtained by HP mehod.
出处
《计算机与应用化学》
CAS
CSCD
北大核心
2002年第4期473-476,共4页
Computers and Applied Chemistry
基金
国家自然科学基金(9716214)
