目标转换因子分析与库检索相结合用于红外混合体系定性分析  

Qualitative Analysis of Mixtures by Target Transformation Factor Analysis and Library Searching of Their Infrared Spectra

作　　者：曲加新[1] 何锡文[2] 王永泰[2] 杨万龙[2] 

机构地区：[1]军事医学科学院四所 [2]南开大学化学系中心实验室,天津300071

出　　处：《分析化学》1997年第5期548-550,共3页Chinese Journal of Analytical Chemistry

基　　金：国家自然科学基金;国家教委博士点基金资助课题

摘　　要：将库检索与目标转换因子分析相结合，利用抽象浓度的分布信息确定可能解域，其中最大可能解即为体系包含的物种。可能解域的确定大大减少了计算量。应用于严重重叠的甲苯和乙苯二组份和苯、甲苯及乙苯三组份混合体系，结果令人满意。In this paper, a new method combining target transformation factor analysis and spectral library searching (LS) was developed for qualitative analysis of mixture from IR da- ta. At first, possible solution fields were determined from distribution of abstract concentra- tion. Then, by use of LS, the most possible solution from every field as components of the system was chosen. The method was used in actual two-component (benzene and toluene) and three-component (benzene, toluene and ethyl benzene) systems in which characteristic peaks overlapped greatly. The result was satisfactory.

关 键 词：库检索 目标转换 因子分析 定性分析 红外光 

分 类 号：O657.33[理学—分析化学]