Spectroscopic Monitoring of Batch Reactions for On-Line Fault Detection and Diagnosis

This paper presents the general methodology to use spectroscopic measurements directly for on-line process monitoring and detection and diagnosis of disturbances. An application of the on-line monitoring of a chemical batch reaction using UV−visible spectroscopy is discussed in detail. Successful hi...

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Bibliographic Details
Published in:Analytical chemistry (Washington) 2000-11, Vol.72 (21), p.5322-5330
Main Authors: Westerhuis, Johan A, Gurden, Stephen P, Smilde, Age K
Format: Article
Language:English
Subjects:
Chemical reactions
Chemistry
Exact sciences and technology
General and physical chemistry
Spectrum analysis
Theory of reactions, general kinetics
Theory of reactions, general kinetics. Catalysis. Nomenclature, chemical documentation, computer chemistry
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Summary:This paper presents the general methodology to use spectroscopic measurements directly for on-line process monitoring and detection and diagnosis of disturbances. An application of the on-line monitoring of a chemical batch reaction using UV−visible spectroscopy is discussed in detail. Successful historical batches are used to build a statistical model of the batch reaction. The model uses external information such as the pure spectra of the compounds and their concentration profiles to improve the interpretability. Control charts are developed for on-line monitoring of new batches. It is shown that this model is capable of detecting erroneous batches. In combination with contribution plots, the actual cause of the disturbances can be diagnosed.
ISSN:0003-2700
1520-6882
DOI:10.1021/ac000532y