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

dc.contributorAalto-yliopistofi
dc.contributorAalto Universityen
dc.contributor.authorGuizani, Chamseddine
dc.contributor.authorHellstén, Sanna
dc.contributor.authorWitos, Joanna
dc.contributor.authorMäkelä, Mikko
dc.contributor.authorHummel, Michael
dc.contributor.authorSixta, Herbert
dc.contributor.departmentDepartment of Bioproducts and Biosystems
dc.date.accessioned2021-01-25T10:11:07Z
dc.date.available2021-01-25T10:11:07Z
dc.date.issued2020-11
dc.description.abstractOne 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.en
dc.description.versionPeer revieweden
dc.format.extent12
dc.format.extent9813-9824
dc.format.mimetypeapplication/pdf
dc.identifier.citationGuizani , 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/s10570-020-03466-2en
dc.identifier.doi10.1007/s10570-020-03466-2
dc.identifier.issn0969-0239
dc.identifier.issn1572-882X
dc.identifier.otherPURE UUID: 46efd5eb-1bb0-4a38-9645-d644f4c48b23
dc.identifier.otherPURE ITEMURL: https://research.aalto.fi/en/publications/46efd5eb-1bb0-4a38-9645-d644f4c48b23
dc.identifier.otherPURE LINK: http://www.scopus.com/inward/record.url?scp=85091493199&partnerID=8YFLogxK
dc.identifier.otherPURE FILEURL: https://research.aalto.fi/files/55035032/Guizani2020_Article_QuantitativeRamanSpectroscopyF.pdf
dc.identifier.urihttps://aaltodoc.aalto.fi/handle/123456789/102137
dc.identifier.urnURN:NBN:fi:aalto-202101251447
dc.language.isoenen
dc.publisherSPRINGER
dc.relation.ispartofseriesCelluloseen
dc.relation.ispartofseriesVolume 27, issue 17en
dc.rightsopenAccessen
dc.subject.keywordChemometrics
dc.subject.keywordIoncell process
dc.subject.keywordIonic liquid
dc.subject.keywordRaman spectroscopy
dc.titleQuantitative Raman spectroscopy for the Ioncell® process  Part 2—quantification of ionic liquid degradation products and improvement of prediction performance through interval PLSen
dc.typeA1 Alkuperäisartikkeli tieteellisessä aikakauslehdessäfi
dc.type.versionpublishedVersion
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