Zhang, F, Liu, T, Wang, XZ et al. (2 more authors) (2017) Comparative study on ATR-FTIR calibration models for monitoring solution concentration in cooling crystallization. Journal of Crystal Growth, 459. pp. 50-55. ISSN 1873-5002
Abstract
In this paper calibration model building based on using an ATR-FTIR spectroscopy is investigated for in-situ measurement of the solution concentration during a cooling crystallization process. The cooling crystallization of L-glutamic Acid (LGA) as a case is studied here. It was found that using the metastable zone (MSZ) data for model calibration can guarantee the prediction accuracy for monitoring the operating window of cooling crystallization, compared to the usage of undersaturated zone (USZ) spectra for model building as traditionally practiced. Calibration experiments were made for LGA solution under different concentrations. Four candidate calibration models were established using different zone data for comparison, by using a multivariate partial least-squares (PLS) regression algorithm for the collected spectra together with the corresponding temperature values. Experiments under different process conditions including the changes of solution concentration and operating temperature were conducted. The results indicate that using the MSZ spectra for model calibration can give more accurate prediction of the solution concentration during the crystallization process, while maintaining accuracy in changing the operating temperature. The primary reason of prediction error was clarified as spectral nonlinearity for in-situ measurement between USZ and MSZ. In addition, an LGA cooling crystallization experiment was performed to verify the sensitivity of these calibration models for monitoring the crystal growth process.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | © 2016 Elsevier B.V. This is an author produced version of a paper published in Journal of Crystal Growth. Uploaded in accordance with the publisher's self-archiving policy. |
Keywords: | Solution concentration; Cooling crystallization; ATR-FTIR spectra; Model calibration; Metastable zone; L-glutamic acid |
Dates: |
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Institution: | The University of Leeds |
Academic Units: | The University of Leeds > Faculty of Engineering & Physical Sciences (Leeds) > School of Chemical & Process Engineering (Leeds) |
Depositing User: | Symplectic Publications |
Date Deposited: | 13 Feb 2017 10:52 |
Last Modified: | 17 Nov 2017 01:38 |
Published Version: | https://doi.org/10.1016/j.jcrysgro.2016.11.064 |
Status: | Published |
Publisher: | Elsevier |
Identification Number: | 10.1016/j.jcrysgro.2016.11.064 |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:112218 |