Use of near-infrared spectrometry in control analyses of acrylic fibre manufacturing processes

被引:21
作者
Blanco, M [1 ]
Coello, J [1 ]
Iturriaga, H [1 ]
Maspoch, S [1 ]
Pagès, J [1 ]
机构
[1] Univ Autonoma Barcelona, Fac Ciencies, Unitat Quim Analit, Dept Quim, E-08193 Barcelona, Spain
关键词
NIR spectroscopy; multivariate calibration; acrylic fibres; thiocyanate determination;
D O I
10.1016/S0003-2670(98)00804-6
中图分类号
O65 [分析化学];
学科分类号
070302 ; 081704 ;
摘要
Near-infrared (NIR) spectroscopy was used in control analyses for sodium thiocyanate and 90 : 10 (w/w) acrylonitrile-vinyl acetate copolymer in spinning solutions used for manufacturing textile acrylic fibres. NIR spectra were recorded in the transflectance mode, using fibre optics and a ceramic disk as reflecting surface. Partial least-squares regression (PLSR) was used to construct models for both analytes, using the test set for external validation. Second-derivative and standard normal variate (SNV) spectra led to simplified and more robust models than conventional spectra. Two PLS 1 models for the individual determination of the analytes and a PLS2 model for their joint simultaneous determination are proposed. The errors obtained for the validation samples were 1.6% for NaSCN and 2.6% for the copolymer. The robustness of the proposed calibration models was confirmed by using them in control analyses of samples manufactured several months after the models were constructed. (C) 1999 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:291 / 298
页数:8
相关论文
共 17 条
[1]   NONINVASIVE MONITORING OF BULK-POLYMERIZATION USING SHORT-WAVELENGTH NEAR-INFRARED SPECTROSCOPY [J].
ALDRIDGE, PK ;
KELLY, JJ ;
CALLIS, JB ;
BURNS, DH .
ANALYTICAL CHEMISTRY, 1993, 65 (24) :3581-3585
[2]  
BELLON V, 1993, APPL SPECTROSC, V47, P812
[3]   Effect of data preprocessing methods in near-infrared diffuse reflectance spectroscopy for the determination of the active compound in a pharmaceutical preparation [J].
Blanco, M ;
Coello, J ;
Iturriaga, H ;
Maspoch, S ;
delaPezuela, C .
APPLIED SPECTROSCOPY, 1997, 51 (02) :240-246
[4]   NEAR-INFRARED STUDIES OF STRUCTURE OF WATER .1. PURE WATER [J].
BUIJS, K ;
CHOPPIN, GR .
JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (08) :2035-&
[5]   COMPENSATION FOR PARTICLE-SIZE EFFECTS IN NEAR-INFRARED REFLECTANCE [J].
BULL, CR .
ANALYST, 1991, 116 (08) :781-786
[6]   Determination of weight percent oxygen in commercial gasoline: A comparison between FT-Raman, FT-IR, and dispersive near-IR spectroscopies [J].
Cooper, JB ;
Wise, KL ;
Welch, WT ;
Bledsoe, RR ;
Sumner, MB .
APPLIED SPECTROSCOPY, 1996, 50 (07) :917-921
[7]  
DAVIES AMC, 1993, NIR NEWS, V4, P10
[8]  
Dhanoa M., 1994, Journal of Near Infrared Spectroscopy, V2, P43, DOI [10.1255/jnirs.30, DOI 10.1255/JNIRS.30]
[9]   ON THE SCALES ASSOCIATED WITH NEAR-INFRARED REFLECTANCE DIFFERENCE SPECTRA [J].
DHANOA, MS ;
LISTER, SJ ;
BARNES, RJ .
APPLIED SPECTROSCOPY, 1995, 49 (06) :765-772
[10]   PARTIAL LEAST-SQUARES REGRESSION - A TUTORIAL [J].
GELADI, P ;
KOWALSKI, BR .
ANALYTICA CHIMICA ACTA, 1986, 185 :1-17