An integrated online multivariate statistical process monitoring (MSPM), quality prediction, and fault diagnosis framework is developed for... Show moreAn integrated online multivariate statistical process monitoring (MSPM), quality prediction, and fault diagnosis framework is developed for batch processes. Batch data from I batches, with J process variables measured at K time points generate a three-way array of size I x K x J. Unfolding this three-way array into a two-way matrix of size IK x J by preserving the variable direction is advantageous for developing online MSPM methods because it does not require estimation of future portions of new batches. Two different multiway partial least squares (MPLS) models are developed. The first model (MPLSV) is developed between the data matrix (IK x J) and the local batch time (or an indicator variable) for online MSPM. The second model (MPLSB) is developed between the rearranged data matrix in the batch direction (I x KJ) and the final quality matrix for online prediction of end-of-batch quality. The problem of discontinuity in process variable measurements due to operation switching (or moving to a different phase) that causes problems in alignment and modeling is addressed. Control limits on variable contribution plots are used to improve fault diagnosis capabilities of the MSPM framework. Case studies from a simulated fed-batch penicillin fermentation illustrate the implementation of the methodology. Endnote format citation for DOI:10.1021/ie0208218 Show less
Slight changes in raw material properties or operating conditions during critical periods of operation of batch and semi-batch polymerization... Show moreSlight changes in raw material properties or operating conditions during critical periods of operation of batch and semi-batch polymerization reactors may have a strong influence on reaction mechanism and impact final product quality. Online process monitoring, fault detection, fault diagnosis, and product quality prediction in real-time ensure safe reactor operation and warn operators about excursions from normal operation that may lead to deterioration in product properties. Multivariate statistical process monitoring and quality prediction using multiway principal components analysis and multiway partial least squares have been successful in detecting abnormalities in process operation and product quality. When abnormal process operation is detected, fault diagnosis tools are used to determine the source cause of the deviation. Illustrative case studies are presented via simulated polyvinyl acetate polymerization. Endnote format citation for DOI:10.1002/masy.200450210 Show less
