Non-invasive identification of chemical compounds by energy dispersive X-ray fluorescence spectrometry, combined with chemometric methods of data evaluation

被引:15
作者
Henrich, A
Hoffmann, P
Ortner, HM
Greve, T
Itzel, H
机构
[1] Darmstadt Univ Technol, Fac Mat Sci, Dept Analyt Chem, D-64287 Darmstadt, Germany
[2] Merck KGaA, D-64271 Darmstadt, Germany
来源
FRESENIUS JOURNAL OF ANALYTICAL CHEMISTRY | 2000年 / 368卷 / 2-3期
关键词
D O I
10.1007/s002160000425
中图分类号
O65 [分析化学];
学科分类号
070302 ; 081704 ;
摘要
Chemicals from customers' returns have to be analyzed before they can be reused as raw materials in production. A procedure for non-invasive qualitative analysis of compounds in a closed container based on energy dispersive X-ray fluorescence (EDXRF) spectrometry is described. EDXRF was chosen as method for noninvasive analysis of chemicals through PE bottle walls without opening the bottle. This analysis aims for a quick proof of correspondence between the declaration of a reagent on the label of the bottle and its content. This analytical result cannot be achieved by a mere evaluation of characteristic element lines in EDXRF-spectra in combination with the method of matrix correction or the method of mean atomic number. These methods take into account only a small part of the total information available in an X-ray spectrum. It is shown here that valuable additional information is extractable from the spectral ranges of the Compton-scattering and Rayleigh-scattering areas by the use of methods of multivariate data analysis, especially by principle component analysis (PCA). Regularized dis criminant analysis (RDA) was employed to establish a classification scheme for unknown samples.
引用
收藏
页码:130 / 138
页数:9
相关论文
共 30 条
[1]   Regularised discriminant analysis (RDA) - Modelling for the binary discrimination between pollution types [J].
Baldovin, A ;
Wen, W ;
Massart, DL ;
Turello, A .
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 1997, 38 (01) :25-37
[2]   Analysis of human tissues by total reflection X-ray fluorescence. Application of chemometrics for diagnostic cancer recognition [J].
Benninghoff, L ;
vonCzarnowski, D ;
Denkhaus, E ;
Lemke, K .
SPECTROCHIMICA ACTA PART B-ATOMIC SPECTROSCOPY, 1997, 52 (07) :1039-1046
[3]   EXPERIMENTAL APPROACH TO THE ANALYSIS OF BINARY ALLOYS BY THE RAYLEIGH-COMPTON BACKSCATTER RATIO METHOD. [J].
Confalonieri, L. ;
Crippa, R. ;
Milazzo, M. .
International journal of radiation applications and instrumentation. Part A, Applied radiation and isotopes, 1987, 38 (02) :139-142
[4]  
FRANK I E, 1989, Journal of Chemometrics, V3, P463, DOI 10.1002/cem.1180030304
[5]   REGULARIZED DISCRIMINANT-ANALYSIS [J].
FRIEDMAN, JH .
JOURNAL OF THE AMERICAN STATISTICAL ASSOCIATION, 1989, 84 (405) :165-175
[6]  
GARRISON AA, 1992, P SOC PHOTO-OPT INS, V1681, P291, DOI 10.1117/12.137748
[7]   APPLICATION LIMITS IN USING BACKSCATTERED RADIATION FOR MATRIX CORRECTION IN X-RAY-FLUORESCENCE ANALYSIS [J].
GEORGE, R ;
SCHIEKEL, M .
JOURNAL OF RADIOANALYTICAL CHEMISTRY, 1983, 79 (02) :233-243
[8]  
H Compton A., 1935, XRAYS THEORY EXPT
[9]  
HENRICH A, 1999, THESIS DARMSTADT U T
[10]  
HIETALA M, 1989, ADV XRAY ANAL, V32, P49