Evaluation of multiblock NIR/MIR PLS predictive models to detect adulteration of diesel/biodiesel blends by vegetal oil

被引:75
作者
Gaydou, V. [1 ]
Kister, J. [1 ]
Dupuy, N. [1 ]
机构
[1] Univ Paul Cezanne, CNRS, UMR6263, Equipe Grp Syst Chim Complexes AD2EM,ISM2, F-13397 Marseille 20, France
关键词
Diesel/biodiesel blends; Vegetal oil; NIR; MIR; PLS regression; Multiblock; INFRARED-SPECTROSCOPY; MULTIVARIATE; GASOLINE; ETHANOL; SULFUR; MIR;
D O I
10.1016/j.chemolab.2010.05.002
中图分类号
TP [自动化技术、计算机技术];
学科分类号
0812 ;
摘要
This work investigates the potential of using simultaneously near infrared (NIR) and mid infrared (MIR) spectroscopy for the quantification of vegetable oil in diesel/biodiesel blends. The two spectral ranges were used separately with PLS regressions. To combine the two pieces of information, first a concatenated matrix was used and then H-PLS and S-PLS models were constructed. The models were compared in term of prediction errors (RMSEP). The results obtained in NIR spectroscopy were better than the ones obtained with MIR spectroscopy (considering the influence of the pretreatment and of the selected variables range). The multiblock methodology seems to be of great interest in quantitative analysis with the simultaneous use of information from the MIR and NIR spectroscopy. (C) 2010 Elsevier B.V. All rights reserved.
引用
收藏
页码:190 / 197
页数:8
相关论文
共 30 条
[11]   Characterizing the uncertainty in near-infrared spectroscopic prediction of mixed oxygenate concentrations in gasoline: Sample-specific prediction intervals [J].
Faber, NM ;
Duewer, DL ;
Choquette, SJ ;
Green, TL ;
Chesler, SN .
ANALYTICAL CHEMISTRY, 1998, 70 (14) :2972-2982
[12]   Comparison of PLS algorithms in gasoline and monitoring with MIR and NIR [J].
Felício, CC ;
Brás, LP ;
Lopes, JA ;
Cabrita, L ;
Menezes, JC .
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 2005, 78 (1-2) :74-80
[13]  
Geladi P., 1988, J CHEMOM, V2, P231
[14]   PARTIAL LEAST-SQUARES PATH MODELING WITH LATENT-VARIABLES [J].
GERLACH, RW ;
KOWALSKI, BR ;
WOLD, HOA .
ANALYTICA CHIMICA ACTA-COMPUTER TECHNIQUES AND OPTIMIZATION, 1979, 3 (04) :417-421
[15]  
HOSKULDSSON A, 1996, BASIC THEORY, V1, P245
[16]   Feasibility study of discriminating the manufacturing process and sampling zone in ripened soft cheeses using attenuated total reflectance MIR and fiber optic diffuse reflectance VIS-NIR spectroscopy [J].
Karoui, R ;
Mouazen, AM ;
Ramon, H ;
Schoonheydt, R ;
De Baerdemaeker, J .
FOOD RESEARCH INTERNATIONAL, 2006, 39 (05) :588-597
[17]   HEURISTIC EVOLVING LATENT PROJECTIONS - RESOLVING 2-WAY MULTICOMPONENT DATA .1. SELECTIVITY, LATENT-PROJECTIVE GRAPH, DATASCOPE, LOCAL RANK, AND UNIQUE RESOLUTION [J].
KVALHEIM, OM ;
LIANG, YZ .
ANALYTICAL CHEMISTRY, 1992, 64 (08) :936-946
[18]   STATISTICAL PROCESS-CONTROL OF MULTIVARIATE PROCESSES [J].
MACGREGOR, JF ;
KOURTI, T .
CONTROL ENGINEERING PRACTICE, 1995, 3 (03) :403-414
[19]   Determination of ethanol in fuel ethanol and beverages by Fourier transform (FT)-near infrared and FT-Raman spectrometries [J].
Mendes, LS ;
Oliveira, FCC ;
Suarez, PAZ ;
Rubim, JC .
ANALYTICA CHIMICA ACTA, 2003, 493 (02) :219-231
[20]   Determination of methyl ester contents in biodiesel blends by FTIR-ATR and FTNIR spectroscopies [J].
Oliveira, Jefferson S. ;
Montalvao, Rafael ;
Daher, Leila ;
Suarez, Paulo A. Z. ;
Rubim, Joel C. .
TALANTA, 2006, 69 (05) :1278-1284