用偏最小二乘法-荧光光谱法定量分析芳烃混合物

Quantitative Analysis of Mixture of Aromatic Compounds by Partial Least Squares-Fluorescence Analysis

本文用偏最小二乘法(PLS)方法来解析荧光的激发发射矩阵(EEM),直接定量分析荧光混合物试样.文中分析了EEM的特点,介绍了用EEM-PLS定量分析试样的思路和方法,并对5个模拟混合物和4个实际混合物进行了测试和计算.获得了满意的结果.本文还用实例讨论了数据中的异常点的判别,对结果的影响及剔除的方法.

An excitation-emission matrix(EEM) and partial least squares method (PLS) were used to quantitatively determine fluorescent mixed samples. We analyzed the feature of an EEM, and introduced the idea and method of the quantitative analysis by EEM-PLS. The concentration of five simulative mixed samples and four real mixed samples was determined with satisfactory results. Finally, the judgement and deletion of some outliers and their influence on the results were discussed.