Trends in Analytical Chemistry 83 (2016) 39–52
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Trends in Analytical Chemistry j o u r n a l h o m e p a g e : w w w. e l s e v i e r. c o m / l o c a t e / t r a c
Process control with compact NMR Klas Meyer a, Simon Kern a, Nicolai Zientek a, Gisela Guthausen b, Michael Maiwald a,* a
Bundesanstalt für Materialforschung und -prüfung (BAM), Division Process Analytical Technology, Richard-Willstaetter-Straße 11, 12489 Berlin, Germany Pro2NMR, Institute of Mechanical Process Engineering and Mechanics and Institute of Biological Interfaces 4, KIT, Adenauerring 20 b, 76131 Karlsruhe, Germany b
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Keywords: Process control Compact NMR Process analytical technology Low-field NMR spectroscopy Low-field NMR relaxometry Flow-NMR Data analysis Chemometrics Advanced process control Industrie 4.0
A B S T R A C T
Compact nuclear magnetic resonance (NMR) instruments make NMR spectroscopy and relaxometry accessible in industrial and harsh environments for reaction and process control. An increasing number of applications are reported. To build an interdisciplinary bridge between “process control” and “compact NMR”, we give a short overview on current developments in the field of process engineering such as modern process design, integrated processes, intensified processes along with requirements to process control, model based control, or soft sensing. Finally, robust field integration of NMR systems into processes environments, facing explosion protection or integration into process control systems, are briefly discussed. © 2016 Elsevier B.V. All rights reserved.
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Introduction ........................................................................................................................................................................................................................................................... Process control ..................................................................................................................................................................................................................................................... 2.1. Contemporary process engineering ................................................................................................................................................................................................. 2.2. Integrated process design and intensified processes ................................................................................................................................................................ 2.2.1. Intensified continuous processes .................................................................................................................................................................................... 2.2.2. Integrated processes ............................................................................................................................................................................................................ 2.2.3. Towards continuous pharmaceutical manufacturing ............................................................................................................................................... 2.2.4. Flow chemistry ...................................................................................................................................................................................................................... 2.3. Contemporary automation and process control ......................................................................................................................................................................... 2.4. Current and future requirements to process sensors ................................................................................................................................................................ Compact NMR spectroscopy in process control ....................................................................................................................................................................................... 3.1. Quantitative NMR spectroscopy of technical mixtures ............................................................................................................................................................ 3.2. Compact NMR spectroscopy hardware developments ............................................................................................................................................................. 3.2.1. Current market situation .................................................................................................................................................................................................... 3.2.2. Instrument quality assessment ........................................................................................................................................................................................ 3.2.3. Principal approaches towards online NMR flow probes ......................................................................................................................................... 3.3. Application of compact NMR spectroscopy for process control ........................................................................................................................................... 3.4. Data pretreatment and evaluation .................................................................................................................................................................................................. 3.4.1. Data processing ..................................................................................................................................................................................................................... 3.4.2. Methodologies for data evaluation and modeling .................................................................................................................................................... Compact time domain NMR in process control ........................................................................................................................................................................................ 4.1. Time domain NMR approaches ......................................................................................................................................................................................................... 4.2. Field applications of time domain NMR ........................................................................................................................................................................................ 4.2.1. Moving samples .................................................................................................................................................................................................................... 4.2.2. Food processing ..................................................................................................................................................................................................................... 4.2.3. Polymers and composite materials ................................................................................................................................................................................
* Corresponding author.Tel.: +49 30 8104-1140. E-mail address:
[email protected] (M. Maiwald). http://dx.doi.org/10.1016/j.trac.2016.03.016 0165-9936/© 2016 Elsevier B.V. All rights reserved.
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