Near-infrared spectroscopy and multivariate calibration for the quantitative determination of certain properties in the petrochemical industry

被引：120

作者：

Macho, S ^{[1
]}

Larrechi, MS ^{[1
]}

机构：

[1] Univ Rovira & Virgili, Dept Quim Analit & Quim Organ, E-43005 Tarragona, Spain

来源：

TRAC-TRENDS IN ANALYTICAL CHEMISTRY | 2002年 / 21卷 / 12期

关键词：

multivariate calibration; NIR spectroscopy; partial least squares (PLS); petrochemical industry; principal component regression (PCR);

D O I：

10.1016/S0165-9936(02)01202-5

中图分类号：

O65 [分析化学];

学科分类号：

070302 ; 081704 ;

摘要：

Near-infrared (NIR) spectroscopy in conjunction with chemometric techniques allows on-line monitoring in real time, which can be of considerable use in industry. If it is to be correctly used in industrial applications, generally some basic considerations need to be taken into account, although this does not always apply. This study discusses some of the considerations that would help evaluate the possibility of applying multivariate calibration in combination with NIR to properties of industrial interest. Examples of these considerations are whether there is a relation between the NIR spectrum and the property of interest, what the calibration constraints are and how a sample-specific error of prediction can be quantified. Various strategies for maintaining a multivariate model after it has been installed are also presented and discussed. (C) 2002 Published by Elsevier Science B.V. All rights reserved.

引用

页码：799 / 806

页数：8

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