A PLS regression model using flame spectroscopy emission for determination of octane numbers in gasoline

被引:36
作者
de Paulo, Jaqueline M. [1 ]
Barros, Jose E. M. [2 ]
Barbeira, Paulo J. S. [1 ]
机构
[1] Inst Ciencias Exatas, Dept Quim, Jose Do Rio Preto, Brazil
[2] Univ Fed Minas Gerais, Dept Engn Mecan, Escola Engn, Av Antonio Carlos 6627, BR-31270901 Belo Horizonte, MG, Brazil
关键词
Octane numbers; Gasoline; PLS; Flame emission spectroscopy; LEAST-SQUARES REGRESSION; REID VAPOR-PRESSURE; PREDICTION;
D O I
10.1016/j.fuel.2016.02.033
中图分类号
TE [石油、天然气工业]; TK [能源与动力工程];
学科分类号
0807 ; 0820 ;
摘要
This paper presents a method for the prediction of MON (Motor Octane Number) and RON (Research Octane Number) of automotive gasoline using flame emission spectroscopy and multivariate calibration (partial least squares). We obtained low values of RMSEC (root mean square error of calibration) and RMSEP (root mean square error of prediction), of 0.14 and 0.56, respectively for MON, while these values for RON were 0.34 and 0.9. The technique is simple and fast, does not require pretreatment of samples and still produces low octane rating errors, making it a good alternative to the standard method used in quality control of automotive gasoline. (C) 2016 Elsevier Ltd. All rights reserved.
引用
收藏
页码:216 / 221
页数:6
相关论文
共 29 条
[11]   Differentiation of Gasoline Samples Using Flame Emission Spectroscopy and Partial Least Squares Discriminate Analysis [J].
de Paulo, Jaqueline M. ;
Barros, Jose E. M. ;
Barbeira, Paulo J. S. .
ENERGY & FUELS, 2014, 28 (07) :4355-4361
[12]   A study of adulteration in gasoline samples using flame emission spectroscopy and chemometrics tools [J].
de Paulo, Jaqueline M. ;
Mendes, Gisele ;
Barros, Jose E. M. ;
Barbeira, Paulo J. S. .
ANALYST, 2012, 137 (24) :5919-5924
[13]  
Flecher PE, 1997, SPECTROCHIM ACTA A, V53, P199, DOI 10.1016/S0584-8539(97)81434-1
[14]   Multivariate calibrations in gas chromatographic profiles for prediction of several physicochemical parameters of Brazilian commercial gasoline [J].
Flumignan, Danilo Luiz ;
Ferreira, Fabricio de Oliveira ;
Tininis, Aristeu Gomes ;
de Oliveira, Jose Eduardo .
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 2008, 92 (01) :53-60
[15]  
Gaydon AG., 1979, FLAMES THEIR STRUCTU
[16]   PARTIAL LEAST-SQUARES REGRESSION - A TUTORIAL [J].
GELADI, P ;
KOWALSKI, BR .
ANALYTICA CHIMICA ACTA, 1986, 185 :1-17
[17]  
Kalghatgi G, 2015, 2015010757 SAR
[18]   PREDICTION OF GASOLINE OCTANE NUMBERS FROM NEAR-INFRARED SPECTRAL FEATURES IN THE RANGE 660-1215 NM [J].
KELLY, JJ ;
BARLOW, CH ;
JINGUJI, TM ;
CALLIS, JB .
ANALYTICAL CHEMISTRY, 1989, 61 (04) :313-320
[19]   A linear-by-mole blending rule for octane numbers of n-heptane/iso-octane/toluene mixtures [J].
Knop, Vincent ;
Loos, Melanie ;
Pera, Cecile ;
Jeuland, Nicolas .
FUEL, 2014, 115 :666-673
[20]  
Lacava PT, 2010, METODOS EXPT ANALISE