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CARSiPLS用于烟煤中水分与挥发分的近红外光谱测定
          
Determination of Moisture and Volatiles in Bitumite by NIR Combined with CARSiPLS

摘    要
将竞争自适应重加权采样(CARS)与区间偏最小二乘回归(iPLS)相结合的变量筛选建模方法CARSiPLS,用于烟煤中水分与挥发分的近红外光谱测定。以CARS逐步筛选出每个区间与待测量相关的变量,建立烟煤中水分与挥发分近红外光谱测定的偏最小二乘回归模型。结果表明:与PLS、iPLS相比,CARSiPLS可以显著减少变量数,同时提高模型预测性能;挥发分建模变量从1557个减少至15个,水分建模变量从1557个减少至317个;挥发分、水分的预测平均绝对百分误差分别从0.031 5降至0.018 4、从0.188 4降至0.094 6;挥发分、水分的预测均方差分别从0.010 8降至0.006 7、从0.005 0降至0.002 8。
标    签 近红外光谱   间隔偏最小二乘   竞争自适应重加权采样   水分   挥发分   烟煤   NIRS   interval PLS   competitive adaptive reweighted sampling   moisture   volatile   bitumite  
 
Abstract
A improved modeling method for selection of variables, i.e., CARSiPLS was proposed by combining the methods of competitive adaptive reweighted sampling (CARS) and internal partial least square regression (iPLS) and applied to the modelling in NIRS determination of moisture and volatiles in bitumite. PLS regression models for NIRS determination of moisture and volatiles in bitumite were established by stepwise selection of those variables related to the measurements from each interval by CARS. It was shown that as compared with PLS and iPLS, the number of variables was significantly reduced in CARSiPLS and the prediction performances of the models were also improved. In establishment of the models for moisture and volatiles, the number of variables was reduced from 1557 to 317 and 15 respectively. Values of MAPE and RMSEP were reduced remarkably from 0.031 5 to 0.018 4 and from 0.010 8 to 0.006 7 for volatile determinations, and from 0.188 4 to 0.094 6 and from 0.005 0 to 0.002 8 for moisture determinations.

中图分类号 O657.33   DOI 10.11973/lhjy-hx201706003

 
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所属栏目 试验与研究

基金项目 云南省教育厅一般项目(2012Y414);曲靖师范学院招标项目(2011ZB006)

收稿日期 2016/6/1

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备注杨晓丽(1980-),女,辽宁沈阳人,研究方向为计算化学,yangxl@mail.qjnu.edu.cn

引用该论文: YANG Xiaoli,HE Qiong. Determination of Moisture and Volatiles in Bitumite by NIR Combined with CARSiPLS[J]. Physical Testing and Chemical Analysis part B:Chemical Analysis, 2017, 53(6): 636~640
杨晓丽,何琼. CARSiPLS用于烟煤中水分与挥发分的近红外光谱测定[J]. 理化检验-化学分册, 2017, 53(6): 636~640


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参考文献
【1】苏彩珠,陈晓翔,黄文志,等.应用NIRS分析技术快速检测煤炭质量[J].检验检疫科学, 2007,17(6):34-35.
 
【2】FERRARI M, MOTTOLA L, QUARESIMA V. Principles, techniques, and limitations of near infrared spectroscopy[J]. Canadian Journal of Applied Physiology, 2004,29(4):463-487.
 
【3】MIKIO K, TADAYUKI T, TAKAHIRO A, et al. Application of near infrared spectroscopy to rapid analysis of coals[J]. Spectroscopy Letters, 2002,35(3):369-376.
 
【4】BONA M T, ANDRÉS J M. Coal analysis by diffuse reflectance near-infrared spectroscopy: Hierarchical cluster and linear discriminant analysis[J]. Talanta, 2007,72:1423-1431.
 
【5】DONG W K, JONG M L, JAE S K. Application of near infrared diffuse reflectance spectroscopy for on-line measurement of coal properties[J]. Korean Journal of Chemical Engineering, 2009,26(2):489-495.
 
【6】GELADI P, KOWALSKI B R. Partial least square regression: A tutorial[J]. Analytica Chimica Acta, 1986,185:1-17.
 
【7】WOLD S, MARTENS H, WOLD H. The multivariate calibration problem in chemistry solved by the PLS method[M]. Berlin: Springer, 1983:286-293.
 
【8】THOMAS E V, CHEM A. A primer on multivariate calibration[J]. Analytical Chemistry, 2008,66(15):795A-804A.
 
【9】NORGAARD L, SAUDLAND A, WAGNER J, et al. Interval partial least-squares regression (iPLS): A comparative chemometric study with an example from near-infrared spectroscopy[J]. Applied Spectroscopy, 2000,54(3):413-419.
 
【10】VÍEÉZSLAV C, DÉSIRÉ-LUC M, ONNO E N, et al. Elimination of uninformative variables for multivariate calibration[J]. Analytical Chemistry, 1996,68(21):3851-3858.
 
【11】LI H D, LIANG Y Z, XU Q S, et al. Key wavelengths screening using competitive adaptive reweighted sampling method for multivariate calibration[J]. Analytica Chimica Acta, 2009,648(1):77-84.
 
【12】ZHENG K Y, LI Q Q, WANG J J, et al. Stability competitive adaptive reweighted sampling (SCARS) and its applications to multivariate calibration of NIR spectra[J]. Chemometrics and Intelligent Laboratory Systems, 2012,112(6):48-54.
 
【13】JIANG J H, BERRY R J, SIESLER H W, et al. Wavelength interval selection in multicomponent spectral analysis by moving window partial least squares regression with applications to mid-infrared and near-infrared spectroscopic data[J]. Analytical Chemistry, 2002,74(14):3555-3565.
 
【14】DU Y P, LIANG Y Z, JIANG J H, et al. Spectral regions selection to improve prediction ability of PLS models by changeable size moving window partial least squares and searching combination moving window partial least squares[J]. Analytica Chimica Acta, 2004,501:183-191.
 
【15】常宏,李爱启,王洪伟,等.煤中水分的快速测定[J].煤质技术, 2004(2):50-52.
 
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