光谱学与光谱分析, 2012, 32 (3): 714, 网络出版: 2012-04-16   

三维荧光光谱及平行因子分析在石油类污染物检测分析中的应用

Application of PARAFAC Method and 3-D Fluorescence Spectra in Petroleum Pollutant Measurement and Analysis
作者单位
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
摘要
以三维荧光光谱技术结合平行因子分析算法研究了石油类污染物识别与浓度测量方法, 重点分析了两种以上成品油共存时对测量的影响。 以0#柴油、 97#汽油与煤油的CCl4溶液为测量样本, 通过两种或三种油不同配比的混合溶液来模拟多种石油类污染物共存的状态, 研究平行因子分析方法在复杂混合物共存体系成分分析时的特点。 实验分别针对汽柴油混合溶液、 柴煤油混合溶液以及存在少量煤油干扰成分的汽柴油溶液, 分解得到各溶质的激发与发射特征光谱, 实现了各混合样品中主要成分含量的同时测量, 计算了平均回收率。 结果表明, 该方法能够实现石油类污染物中共存成分的识别与浓度测量。
Abstract
A method for identification and concentration measurement of petroleum pollutant by combining three-dimensional (3-D) fluorescence spectra with parallel factor analysis (PARAFAC) was proposed. The main emphasis of research was the measurement of coexisting different kinds of petroleum. The CCl4 solutions of a 0# diesel sample, a 97# gasoline sample, and a kerosene sample were used as measurement objects. The condition of multiple petroleum coexistence was simulated by petroleum solutions with different mixed ratios. The character of PARAFAC in complex mixture coexisting system analysis was studied. The spectra of three kinds of solutions and the spectra of gasoline-diesel mixed samples, diesel-kerosene mixed samples, and gasoline-diesel mixed with small counts of kerosene interference samples were analyzed respectively. The core consistency diagnostic method and residual sum of squares method were applied to calculate the number of factors in PARAFAC. In gasoline-diesel experiment, gasoline or diesel can be identified and measured as a whole respectively by 2-factors parallel factors analysis. In diesel-kerosene experiment, 2-factors parallel factors analysis can only obtain the characters of diesel, and the 3rd factor is needed to separate the kerosene spectral character from the mixture spectrum. When small counts of kerosene exist in gasoline-diesel solution, gasoline and diesel still can be identified and measured as principal components by a 2-factors parallel factor analysis, and the effect of interference on qualitative analysis is not significant. The experiment verified that the PARAFAC method can obtain characteristic spectrum of each kind of petroleum, and the concentration of petroleum in solutions can be predicted simultaneously, with recoveries shown in the paper. The results showed the possibility of petroleum pollutant identification and concentration measurement based on the 3-D fluorescence spectra and PARAFAC.

潘钊, 王玉田, 邵小青, 吴希军, 杨丽丽. 三维荧光光谱及平行因子分析在石油类污染物检测分析中的应用[J]. 光谱学与光谱分析, 2012, 32(3): 714. PAN Zhao, WANG Yu-tian, SHAO Xiao-qing, WU Xi-jun, YANG Li-li. Application of PARAFAC Method and 3-D Fluorescence Spectra in Petroleum Pollutant Measurement and Analysis[J]. Spectroscopy and Spectral Analysis, 2012, 32(3): 714.

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