Characterization and matching of oil samples using fluorescence spectroscopy and parallel factor analysis
Characterization and matching of oil samples using fluorescence spectroscopy and parallel factor analysis
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DOI：
10.1021/ac048213k
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发表时间：
2005-04-01
影响因子：
7.4
通讯作者：
Andersen, O
中科院分区：
文献类型：
--
作者：
Christensen, JH;Hansen, AB;Andersen, O
提出了一种结合光谱三向分解的荧光光谱匹配油样的新方法。它提供了一种基于油脂中多环芳香族化合物（PACs）相对组成的客观指纹图谱。该方法是气相色谱- fid的补充，用于油样的初始筛选，但也可用于现场，船上的预筛选，使用便携式荧光光谱仪。平行因子分析（PARAFAC）应用于重质燃料油（hfo）、轻质燃料油、润滑油、原油、未知油的荧光激发-发射矩阵（EEMs），以及波罗的海油轮漏油事件发生两周后在泄漏区域收集的样本（丹麦，2001年）。利用激发波长245 ~ 400 nm，发射波长280 ~ 550 mu，将112个eem分解为5因子PARAFAC模型。将PARAFAC因子与二环至五环PAC标准的EEMs进行了比较，结果表明，每个因子都可能与具有相似荧光特性的PAC混合物有关：萘与二苯并噻吩、芴、菲、蒽和五环PAC的混合物。将油类按油类类型进行评分。除HFOs和原油外，该方法可以很容易地区分四种油。在所有五个PARAFAC因子上观察到hfo和原油的轻微重叠，并且由于五环环芳烃含量的变化，原油在因子2上的变异性很大。通过比较溢油样本和可能的源油（即数据库中的油）得分的相关系数，溢油样本被正确地分配为具有与波罗的海承运人货舱油相似PAC模式的HFO。
A novel approach for matching oil samples by fluorescence spectroscopy combined with three-way decomposition of spectra is presented. It offers an objective fingerprinting based on the relative composition of polycyclic aromatic compounds (PACs) in oils. The method is complementary to GC-FID for initial screening of oil samples but can also be used for prescreening in the field, onboard ships, using a portable fluorescence spectrometer. Parallel factor analysis (PARAFAC) was applied to fluorescence excitation-emission matrixes (EEMs) of heavy fuel oils (HFOs), light fuel oils, lubricating oils, crude oils, unknown oils, and a sample collected in the spill area two weeks after the Baltic Carrier oil spill (Denmark, 2001). A total of 112 EEMs were decomposed into a five-factor PARAFAC model using excitation wavelengths from 245 to 400 nm and emission wavelengths from 280 to 550 mu. The PARAFAC factors were compared to EEMs of PAC standards with two to five rings, and the comparisons indicate that each of the factors can be related to a mixture of PACs with similar fluorescence characteristics: a mixture of naphthalenes and dibenzothiophenes, fluorenes, phenanthrenes, chrysenes, and five-ring PACs, respectively. Oils were grouped in score plots according to oil type. Except for HFOs and crude oils, the method easily discriminated between the four oil types. Minor overlaps of HFOs and crude oils were observed along all five PARAFAC factors, and the variability of crude oils was large along factor 2 due to a varying content of five-ring PACs. The spill sample was correctly assigned as a HFO with similar PAC pattern as oil from the cargo tank of the Baltic Carrier by comparing the correlation coefficient of scores for the oil spill sample and possible source oils (i.e., oils in the database).