基于PARAFAC和ART算法的油类污染物荧光检测
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摘要
采用平行因子分析(PARAFAC)和交替残差三线性(ART)算法,对石油类污染物进行测量与识别,重点对比分析了两种算法对油种鉴别的差异。在实验中,将以CCl4为溶剂的95号汽油、0号柴油与普通煤油溶液作为研究对象,以不同浓度的石油类物质混合液作为实验样本,利用F-7000荧光分光光度计对样本进行检测,以得到各样本的三维荧光数据。测量样本的组分数估计值预设为3时,采用PARAFAC算法得到的柴油、汽油和煤油样品的回收率分别为(95.60±3.60)%、(94.67±3.66)%和(95.49±4.49)%;ART算法无需预设组分数,其测量得到的柴油、汽油和煤油样本的回收率分别为(96.58±2.17)%、(95.17±9.17)%和(95.90±8.90)%。结果表明:两种算法都可用于三组分石油类污染物的识别与测量,均能得到较高的回收率;ART算法因无需预先设定组分数而更具优势。
Parallel factor analysis(PARAFAC)and alternating residual tri-linearization(ART)algorithms are used to measure and identify petroleum pollutants.The differences between the two algorithms in oil identification are emphatically compared and analyzed.The CCl4 solutions of No.95 gasoline,No.0 diesel and kerosene are used as the research objects.We take petroleum mixed solutions with different concentrations as samples to measure the three-dimensional fluorescence data of each sample by F-7000 fluorescence spectrometer. When PARAFAC algorithm is applied and the component number is set to 3,the recovery rates of diesel,gasoline and kerosene are(95.60±3.60)%,(94.67±3.66)% and(95.49±4.49)%,respectively.ART algorithm does not require a preset component number,and the recovery rates of diesel,gasoline and kerosene are(96.58±2.17)%,(95.17±9.17)%and(95.90±8.90)%,respectively.The results show that the two algorithms can be used for the measurement and identification of three kinds of petroleum pollutants,and high recovery rates can be obtained.ART algorithm does not require presetting component number,so it has more advantages.
Parallel factor analysis(PARAFAC)and alternating residual tri-linearization(ART)algorithms are used to measure and identify petroleum pollutants.The differences between the two algorithms in oil identification are emphatically compared and analyzed.The CCl4 solutions of No.95 gasoline,No.0 diesel and kerosene are used as the research objects.We take petroleum mixed solutions with different concentrations as samples to measure the three-dimensional fluorescence data of each sample by F-7000 fluorescence spectrometer. When PARAFAC algorithm is applied and the component number is set to 3,the recovery rates of diesel,gasoline and kerosene are(95.60±3.60)%,(94.67±3.66)% and(95.49±4.49)%,respectively.ART algorithm does not require a preset component number,and the recovery rates of diesel,gasoline and kerosene are(96.58±2.17)%,(95.17±9.17)%and(95.90±8.90)%,respectively.The results show that the two algorithms can be used for the measurement and identification of three kinds of petroleum pollutants,and high recovery rates can be obtained.ART algorithm does not require presetting component number,so it has more advantages.
引文
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[13]Liu H L,Wu X J,Tian G J.Three-dimensional fluorescence spectroscopy combined with parallel factor analysis as a complementary technique for green tea characterization[J].Chinese Journal of Lasers,2008,35(5):685-689.刘海龙,吴希军,田广军.三维荧光光谱技术及平行因子分析法在绿茶分析及种类鉴别中的应用[J].中国激光,2008,35(5):685-689.
[14]Guo W D,Yang L Y,Wang F L,et al.Parallel factor analysis for excitation emission matrix fluorescence spectroscopy of dissolved organic matter from a reservoir-type river[J].Spectroscopy and Spectral Analysis,2011,31(2):427-430.郭卫东,杨丽阳,王福利,等.水库型河流溶解有机物三维荧光光谱的平行因子分析[J].光谱学与光谱分析,2011,31(2):427-430.
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[16]Du W.Missing data recovery and alternating residual trilinearization applied to multivariate calibration and calibration transfer[D].Changsha:Hunan University,2016.杜文.多元校正及模型转移中的缺损数据重构和交替残差多线性方法研究[D].长沙:湖南大学,2016.
[17]Zhang Y.Applications of second-order calibration methods in fluorometric and chromatographic analysis[D].Changsha:Hunan University,2009.张燕.化学计量学二阶校正法在荧光和色谱分析中的应用[D].长沙:湖南大学,2009.
[18]Liu J.Second-order calibration methods applied to determination of antitumor drugs in complex systems[D].Changsha:Hunan University,2008.刘佳.化学计量学二阶校正法用于复杂体系抗癌药物的定量分析[D].长沙:湖南大学,2008.
[19]Deng H,Shang L P.Comparison between PARAFAC and SWATLD based on four components simultaneous determination[J].Spectroscopy and Spectral Analysis,2009,29(4):1088-1092.邓琥,尚丽平.基于四组分同时测定的PARAFAC和SWATLD算法及比较[J].光谱学与光谱分析,2009,29(4):1088-1092.
[20]Kang C.Chemical multi-way calibration fundamental theories and their applications to quantitative analysis in complex systems[D].Changsha:Hunan University,2015.康超.化学多维校正基础理论及其在复杂体系中的定量应用研究[D].长沙:湖南大学,2015.
[21]Du S X,Du Y F,Yuan Z B.Characteristic region selection methods for three-dimensional fluorescence spectrometry[J].Chinese Journal of Luminescence,2012,33(3):341-345.杜树新,杜阳锋,袁之报.三维荧光光谱的特征区域选择方法[J].发光学报,2012,33(3):341-345.
[2]常江.水中矿物油的FTIR-ATR光谱分析[D].秦皇岛:燕山大学,2014.
[3]Pan Z,Wang Y T,Shao X Q,et al.Application of PARAFAC method and 3-D fluorescence spectra in petroleum pollutant measurement and analysis[J].Spectroscopy and Spectral Analysis,2012,32(3):714-718.潘钊,王玉田,邵小青,等.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):714-718.
[4]Zhou B B.Fluorescence detection and study of mineral oil in water[D].Qinhuangdao:Yanshan University,2015.周冰冰.荧光光谱法水中矿物油的检测及研究[D].秦皇岛:燕山大学,2015.
[5]Hu Y J,Chen G Q,Zhu C,et al.Fluorescence spectra characteristics and pattern recognition of orange juice beverages[J].Chinese Journal of Luminescence,2013,34(8):1066-1072.胡扬俊,陈国庆,朱纯,等.橙汁饮品的荧光光谱特性及模式识别[J].发光学报,2013,34(8):1066-1072.
[6]Jin D,Zhang Y J,Li G G,et al.Study on threedimensional fluorescence spectra of phenanthrene[J].Spectroscopy and Spectral Analysis,2009,29(5):1319-1322.金丹,张玉钧,李国刚,等.菲的三维荧光光谱特性研究[J].光谱学与光谱分析,2009,29(5):1319-1322.
[7]Cui Z C,Liu W Q,Zhao N J,et al.Study on the method for rapid determination of oil concentration in water[J].Spectroscopy and Spectral Analysis,2008,28(6):1332-1335.崔志成,刘文清,赵南京,等.水中油浓度快速测量方法研究[J].光谱学与光谱分析,2008,28(6):1332-1335.
[8]Xi L H,Chen G Q,Zhu Z W,et al.Determination of vintages of sesame flavor liquors by threedimensional fluorescence spectroscopy[J].Laser&Optoelectronics Progress,2016,53(12):123002.奚留华,陈国庆,朱焯炜,等.基于三维荧光光谱测定芝麻香型白酒的年份[J].激光与光电子学进展,2016,53(12):123002.
[9]Pan Z,Wang Y T,Wu X J,et al.Identification and concentration measurement of petroleum in water based on micelle sensitization fluorescence method[J].Chinese Journal of Scientific Instrument,2013,34(12):2839-2845.潘钊,王玉田,吴希军,等.胶束增敏荧光方法测定水中石油类成分及其含量[J].仪器仪表学报,2013,34(12):2839-2845.
[10]Yang L L,Wang Y T,Lu X Q.Identification and measurement of petroleum pollutant by threedimensional matrix fluorescence with second-order calibration methods[J].Chinese Journal of Lasers,2013,40(6):0615002.杨丽丽,王玉田,鲁信琼.三维荧光光谱结合二阶校正法用于石油类污染物的识别和检测[J].中国激光,2013,40(6):0615002.
[11]Liu J,Wu H L,Fang D M,et al.Rapid determination of daunomycin hydrochloride in plasma and urine using three-dimensional fluorescence coupled with second-order calibration[J].Chinese Journal of Analytical Chemistry,2008,36(3):316-320.刘佳,吴海龙,方冬梅,等.三维荧光二阶校正法用于血浆和尿液中柔红霉素的快速测定[J].分析化学,2008,36(3):316-320.
[12]LüG C,Zhao W H,Wang J T.Applications of parallel factor analysis in feature extraction of excitation-emission matrix spectrum of dissolved organic matter in red tide algae growth process[J].Chinese Journal of Analytical Chemistry,2010,38(8):1144-1150.吕桂才,赵卫红,王江涛.平行因子分析在赤潮藻滤液三维荧光光谱特征提取中的应用[J].分析化学,2010,38(8):1144-1150.
[13]Liu H L,Wu X J,Tian G J.Three-dimensional fluorescence spectroscopy combined with parallel factor analysis as a complementary technique for green tea characterization[J].Chinese Journal of Lasers,2008,35(5):685-689.刘海龙,吴希军,田广军.三维荧光光谱技术及平行因子分析法在绿茶分析及种类鉴别中的应用[J].中国激光,2008,35(5):685-689.
[14]Guo W D,Yang L Y,Wang F L,et al.Parallel factor analysis for excitation emission matrix fluorescence spectroscopy of dissolved organic matter from a reservoir-type river[J].Spectroscopy and Spectral Analysis,2011,31(2):427-430.郭卫东,杨丽阳,王福利,等.水库型河流溶解有机物三维荧光光谱的平行因子分析[J].光谱学与光谱分析,2011,31(2):427-430.
[15]Christensen J H,Tomasi G.Practical aspects of chemometrics for oil spill fingerprinting[J].Journal of Chromatography A,2007,1169(1/2):1-22.
[16]Du W.Missing data recovery and alternating residual trilinearization applied to multivariate calibration and calibration transfer[D].Changsha:Hunan University,2016.杜文.多元校正及模型转移中的缺损数据重构和交替残差多线性方法研究[D].长沙:湖南大学,2016.
[17]Zhang Y.Applications of second-order calibration methods in fluorometric and chromatographic analysis[D].Changsha:Hunan University,2009.张燕.化学计量学二阶校正法在荧光和色谱分析中的应用[D].长沙:湖南大学,2009.
[18]Liu J.Second-order calibration methods applied to determination of antitumor drugs in complex systems[D].Changsha:Hunan University,2008.刘佳.化学计量学二阶校正法用于复杂体系抗癌药物的定量分析[D].长沙:湖南大学,2008.
[19]Deng H,Shang L P.Comparison between PARAFAC and SWATLD based on four components simultaneous determination[J].Spectroscopy and Spectral Analysis,2009,29(4):1088-1092.邓琥,尚丽平.基于四组分同时测定的PARAFAC和SWATLD算法及比较[J].光谱学与光谱分析,2009,29(4):1088-1092.
[20]Kang C.Chemical multi-way calibration fundamental theories and their applications to quantitative analysis in complex systems[D].Changsha:Hunan University,2015.康超.化学多维校正基础理论及其在复杂体系中的定量应用研究[D].长沙:湖南大学,2015.
[21]Du S X,Du Y F,Yuan Z B.Characteristic region selection methods for three-dimensional fluorescence spectrometry[J].Chinese Journal of Luminescence,2012,33(3):341-345.杜树新,杜阳锋,袁之报.三维荧光光谱的特征区域选择方法[J].发光学报,2012,33(3):341-345.