摘要
以短波近红外光谱法定量检测了二甲苯三种同分异构体混合溶液中各自的体积相对含量。分别采用全光谱、截取具有高相关系数的波段和差谱法选择光谱差异大的波段三种不同的建模方式建立偏最小二乘回归 (Partial L east- Squares Regression)预测模型并对被预测样品进行了相互验证 (Cross Validation)。实验表明 ,采用差谱法选择光谱差异大的波段建立的预测模型显著地克服了同分异构体光谱之间的相似性 ,其预测准确度优于前两者。
The mixture of xylene's isomers is quantificationally measured by near intrared spectrum in selected spectrum bands of great differences.The accuracy of three d ifferent models in PLS modeling,namely full spectrum model,selecting the spectru m bands model with high correlation coefficient and subtractive spectra model,we re established and compared.The accuracy by subtractive spectra model is much be tter than others,which markedly overcomes the overlapping of the isomer's near i nfrared spectrum.
出处
《光谱实验室》
CAS
CSCD
2005年第1期38-41,共4页
Chinese Journal of Spectroscopy Laboratory
基金
教育部振兴计划资助
