基于tri-PLS模型的油类混合物三维荧光光谱及其成分的研究  

Study on the Three-Dimensional Fluorescence Spectra of Oil Mixture and Its Composition Based on Tri-PLS Model

作　　者：王玉田[1] 张立娟 赵煦[1] 陈毅强[3] 潘钊[1] 曹丽芳[1] 徐婧[1] 苑媛媛 牛凯增 张亚吉[1] 

机构地区：[1]燕山大学河北省测试计量技术及仪器重点实验室,河北秦皇岛066004 [2]河北环境工程学院,河北秦皇岛066102 [3]沈阳仪表科学研究院有限公司,辽宁沈阳110043

出　　处：《光谱学与光谱分析》2017年第12期3771-3775,共5页Spectroscopy and Spectral Analysis

基　　金：国家自然科学基金项目(61471312);河北省自然科学基金项目(F2015203240;F2015203072)资助

摘　　要：提出了一种光谱重叠的多种矿物油混合物组分含量测定的新方法。将偏最小二乘方法(PLS)推广至三维扩展(tri-PLS),不需要解决特征值问题。利用该方法对柴油、汽油和煤油混合物的三维荧光光谱进行研究,根据样本序列、激发波长、发射波长构造出三维数据矩阵,结合浓度矩阵应用tri-PLS法建立校正模型,对实验样本进行预测,实验结果表明tri-PLS方法的建模精度比常用的平行因子法优越。A new method which extend the partial least squares （PLS） method to three-dimensional （tri-PLS） and don＆#39;t need to care about the eigenvalue is presented to determinate the content of a variety of mineral oil mixture with overlapping spectra . This method is used to study the three-dimensional fluorescence spectra of the mixture of diesel ,gasoline and kerosene .The 3D data matrix is constructed on the basis of the sample sequence ,the excitation wavelength and the emission wavelength .The com-bination of 3D data matrix and the concentration matrix can be modeled by tri-PLS to predict the test samples .The experimental results show that the modeling precision of tri-PLS is superior to PARAFAC .

关 键 词：tri-PLS 三维荧光光谱 油类混合物 建模精度 

分 类 号：O657.3[理学—分析化学]