The choice of the spectral region in the use of spectroscopic and chemometric methods.

被引：15

作者：

Oliveira, FCC ^{[1
]}

de Souza, ATPC ^{[1
]}

Dias, JA ^{[1
]}

Dias, SCL ^{[1
]}

Rubim, JC ^{[1
]}

机构：

[1] Univ Brasilia, Inst Quim, BR-70910970 Brasilia, DF, Brazil

来源：

QUIMICA NOVA | 2004年 / 27卷 / 02期

关键词：

FTNIR; PLS; spectral region selection;

D O I：

10.1590/S0100-40422004000200009

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A method is presented for the choice of spectral regions when absorption measurements are coupled to chemometric tools to perform quantitative analyses. The method is based on the spectral distribution of the relative standard deviation of concentration (s/c). It has been applied to the development of PLS-FTNIR calibration models for the determination of density and MON of gasoline, and ethanol content and density of ethanol fuel. The new method was also compared with the correlation (R-2) method and has proved to generate PLS calibration models that present better accuracy and precision than those based on R-2.

引用

页码：218 / 225

页数：8

共 47 条

[1]

[Anonymous], 1989, MULTIVARIATE CALIBRA

[2]

Barges N, 1998, ANALUSIS, V26, pM43

[3] Issues in development of NIR micro spectrometer system for on-line process monitoring of milk product [J].

Brennan, D ;

Alderman, J ;

Sattler, L ;

O'Connor, B ;

O'Mathuna, C .

MEASUREMENT, 2003, 33 (01) :67-74

[4] WAVELENGTH SELECTION IN MULTICOMPONENT NEAR-INFRARED CALIBRATION [J].

BROWN, PJ .

JOURNAL OF CHEMOMETRICS, 1992, 6 (03) :151-161

[5]

*BRUK OPT GMBH, 2000, SPECTR SOFTW OPUS 2, V3

[6] Application of a fiber-optic NIR-EFA sensor system for in situ monitoring of aromatic hydrocarbons in contaminated groundwater [J].

Buerck, J ;

Roth, S ;

Kraemer, K ;

Scholz, M ;

Klaas, N .

JOURNAL OF HAZARDOUS MATERIALS, 2001, 83 (1-2) :11-28

[7]

Buttner G, 1997, PROCESS CONTR QUAL, V9, P197

[8] Feasibility of simultaneous measurement of xylene isomers and other hydrocarbons in p-xylene production processes using near-infrared spectroscopy [J].

Chung, H ;

Lee, JS ;

Ku, MS .

APPLIED SPECTROSCOPY, 1998, 52 (06) :885-889

[9] Comparison of near-infrared and mid-infrared spectroscopy for the determination of distillation property of kerosene [J].

Chung, H ;

Ku, MS ;

Lee, JS .

VIBRATIONAL SPECTROSCOPY, 1999, 20 (02) :155-163

[10] Using chemometric methods and NIR spectrophotometry in the textile industry [J].

Cleve, E ;

Bach, E ;

Schollmeyer, E .

ANALYTICA CHIMICA ACTA, 2000, 420 (02) :163-167

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