Quantitative Raman spectroscopy for the Ioncell® process  Part 2—quantification of ionic liquid degradation products and improvement of prediction performance through interval PLS

Loading...
Thumbnail Image
Journal Title
Journal ISSN
Volume Title
A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
Date
2020-11
Major/Subject
Mcode
Degree programme
Language
en
Pages
12
9813-9824
Series
Cellulose, Volume 27, issue 17
Abstract
One of the main issues associated with ionic liquids (ILs) is their recyclability. Viable recycling concepts can only be developed if one knows what is in the IL mixtures and solutions. In our previous work, we showed that it is possible to quantify water and 1.5-diazabicyclo[4.3.0]non-5-enium acetate [DBNH][OAc] IL components in liquid mixtures using Raman spectroscopy. In this regard, we considered Raman spectroscopy as a promising analytical method for the inline monitoring and control of the Ioncell® process. In the present work, we push the limits of this analytical method further by extending it to more complex and realistic liquid mixtures including the hydrolysis product 1-(3-aminopropyl)-2-pyrrolidone (APP) that can be formed upon the reaction of 5-diazabicyclo[4.3.0]non-5-ene (DBN) with water. Quantifying APP is important in order to measure the extent of the hydrolysis reaction and apply the right corrective measures to reverse the reaction and to maintain the process within the optimal working conditions. The simultaneous quantification of the four components (Acetic acid, DBN, APP and H2O) in typical Ioncell® liquid streams is investigated using Raman spectroscopy. The sensitivity of the Raman method in quantifying APP is also highlighted in comparison with refractometry, which is widely applied to measure IL concentration in aqueous mixtures. Finally, we propose simple modifications on the multivariate partial least square regression model based on a variable selection algorithm to enhance the accuracy of the predicted calibration values.
Description
Keywords
Chemometrics, Ioncell process, Ionic liquid, Raman spectroscopy
Other note
Citation
Guizani , C , Hellstén , S , Witos , J , Mäkelä , M , Hummel , M & Sixta , H 2020 , ' Quantitative Raman spectroscopy for the Ioncell ® process  Part 2—quantification of ionic liquid degradation products and improvement of prediction performance through interval PLS ' , Cellulose , vol. 27 , no. 17 , pp. 9813-9824 . https://doi.org/10.1007/s10570-020-03466-2