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The Application of Multivariate Statistical Analysis and Batch Process Control in Industrial Processes

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The Application of Multivariate Statistical Analysis and Batch Process Control in Industrial Processes THE APPLICATION OF MULTIVARIATE STATISTICAL ANALYSIS AND BATCH PROCESS CONTROL IN INDUSTRIAL PROCESSES A THESIS SUBMITTED TO THE UNIVERSITY OF MANCHESTER FOR THE DEGREE OF DOCTOR OF PHILOSOPHY IN THE FACULTY OF ENGINEERING AND PHYSICAL SCIENCES 2010 Haisheng Lin School of Electrical and Electronic Engineering Contents Contents.................................................................................................................................... 2 List of Tables ........................................................................................................................... 5 List of Figures.......................................................................................................................... 6 Abstract...................................................................................................................................10 Declaration .............................................................................................................................11 Copyright Statement..............................................................................................................12 Acknowledgements................................................................................................................13 Abbreviation...........................................................................................................................14 Notations ................................................................................................................................16 Publications............................................................................................................................19 1 Introduction....................................................................................................................20 1.1 Background Statement.....................................................................................20 1.2 Contributions of this Thesis ............................................................................23 1.3 Structure of the Thesis.....................................................................................24 2 Literature Review on the Application of Multivariate Statistical Analysis Methods and Batch Process Control in Industrial Processes..............................................................26 2.1 Overview of Multivariate Statistical Analysis of Chemical Imaging Data..26 2.1.1 Chemical Imaging Techniques........................................................................26 2.1.2 General Application of Multivariate Analysis of Chemical Imaging Data..29 2.1.3 Application of Multivariate Statistical Analysis to Chemical Imaging of Pharmaceutical Tablets .................................................................................................33 2.2 Batch Process Control .....................................................................................36 2.3 Summary...........................................................................................................39 3 Application of Multivariate Statistical Analysis to Raman Images of a Common Pharmaceutical Tablet ...........................................................................................................40 3.1 Preliminary Methodology................................................................................40 3.1.1 Principal Component Analysis........................................................................41 3.1.2 Independent Component Analysis..................................................................42 3.2 Multivariate Data Analysis of Spectroscopic Data........................................46 2 3.2.1 Generation of Data and Pre-processing..........................................................47 3.2.2 Results ..............................................................................................................49 3.3 Application of Multivariate Statistical Analysis to Raman Images of a Pharmaceutical Tablet.......................................................................................................54 3.3.1 Data Acquisition and Pre-processing..............................................................54 3.3.2 Multivariate Data Analysis in Raman Images of a Common Pharmaceutical Tablet 60 3.3.3 Image Maps......................................................................................................68 3.4 Summary...........................................................................................................71 4 Trajectory Tracking of Batch Processes ......................................................................73 4.1 Model Predictive Control (MPC)....................................................................73 4.2 Batch Reactor Model.......................................................................................76 4.3 Control Methodology ......................................................................................80 4.3.1 Cascade Control (CC)......................................................................................80 4.3.2 Wavenumber-Based MPC Control (Wn-MPC).............................................81 4.3.3 PCA Score-Based MPC Control (Sc-MPC)...................................................82 4.4 Case Study........................................................................................................83 4.4.1 Prediction Model Identification ......................................................................84 4.4.2 Wavenumber Selection....................................................................................85 4.4.3 PCA Model Development ...............................................................................85 4.4.4 Results and Discussion....................................................................................86 4.5 Summary...........................................................................................................89 5 End-point Control of Batch Processes .........................................................................91 5.1 Preliminary Methodology................................................................................91 5.1.1 Partial Least Squares (PLS).............................................................................92 5.1.2 End-Point Control Algorithm..........................................................................93 5.2 Control Methodology ......................................................................................96 5.2.1 End-Point Control............................................................................................96 5.3 Case Study........................................................................................................98 5.3.1 Case Study 1: Disturbance Rejection .............................................................98 5.3.2 Case Study 2: Set Point Change....................................................................102 3 5.4 Summary.........................................................................................................115 6 Quality Control in Batch Processes Using a Proposed End-point Controller .........116 6.1 Disadvantages of the Flores-Cerrillo’s End-Point Controller.....................116 6.2 Proposed End-Point Controller.....................................................................118 6.3 End Product Quality Control of Batch Processes ........................................120 6.3.1 Case Study 1: Control of NIR Spectrum at a Specific Wavenumber.........120 6.3.2 Control of the Entire NIR Spectrum of End Product...................................127 6.4 Summary.........................................................................................................132 7 Conclusions and Future Work ....................................................................................134 7.1 Summary and Conclusions............................................................................134 7.1.1 Summary of Multivariate Statistical Analysis .............................................134 7.1.2 Summary of Batch Process Quality Control................................................135 7.2 Recommendations for Future Work .............................................................136 8 Reference .....................................................................................................................137 4 List of Tables Table 3.1: Cross-Correlation Coefficients between the Actual Concentrations of the Constituent Compounds and their Estimates Obtained using PCA and ICA Models for Dataset 1.............................................................................................51 Table 3.2: Cross-Correlation Coefficients between the Actual Concentrations of the Constituent Compounds and their Estimates Obtained using PCA and ICA Models for Dataset 2.............................................................................................53 Table 3.3: Correlation Coefficients between Reference Spectra................................58 Table 5.1 Control Performances of Sc-MPC and the End-Point Controller...........102 Table 5.2. The Comparison of Control Performance with Different Number of Batches.................................................................................................................108 Table 5.3 The Comparison of Control Performance with Different Decision Points ..............................................................................................................................109
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