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提高二甲苯3种同分异构体预测模型准确性的相关系数法
引用本文:武中臣,徐晓轩,杨仁杰,俞钢,张存洲.提高二甲苯3种同分异构体预测模型准确性的相关系数法[J].光谱学与光谱分析,2005,25(1):136-140.
作者姓名:武中臣  徐晓轩  杨仁杰  俞钢  张存洲
作者单位:南开大学物理科学学院光子学中心,天津,300071;美国Dupont Display(南开大学讲座教授),天津,300071
摘    要:对多组分混合物近红外光谱的相关系数进行了细致的研究,指出了多组分近红外光谱中相关系数的特点;证明了采用相关系数较高的波段建立模型会得到更理想预测值的原理;并用对二甲苯、间二甲苯、邻二甲苯混合溶液的处理对原理进行了验证。

关 键 词:近红外  相关系数  同分异构体  二甲苯  间二甲苯  邻二甲苯  建模
文章编号:1000-0593(2005)01-0136-05
修稿时间:2003年11月19

Adopting the Method of Correlation Coefficient to Improve the Accuracy of the Xylene Isomer's Prediction Model
WU Zhong-chen,XU Xiao-xuan,YANG Ren-jie,YU Gang,ZHANG Cun-Zhou.Adopting the Method of Correlation Coefficient to Improve the Accuracy of the Xylene Isomer's Prediction Model[J].Spectroscopy and Spectral Analysis,2005,25(1):136-140.
Authors:WU Zhong-chen  XU Xiao-xuan  YANG Ren-jie  YU Gang  ZHANG Cun-Zhou
Institution:The Photonics Center of the Physics Institute, Nankai University, Tianjin 300071, China.
Abstract:This paper focuses on the detailed researches on the correlation coefficient in near infrared spectrum and points out its characteristics in multi-component solution; the paper also proves the principle of obtaining more accurate results when using high correlation coefficient for model building, and presents a practical experiment to test the conclusions by using para-xylene, meta-xylene, and ortho-xylene's mixture.
Keywords:Near infrared (NIR) spectrum  The correlation coefficient  Isomer  Para-xylene  Meta-xylene  Ortho-xylene  ~Model building
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