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Prediction of formaldehyde and residual methanol concentration in formalin using near infrared spectroscopy

2022-03-03Artigo de investigação Acesso restrito
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dc.contributor.authorMagalhães, Roberto
dc.contributor.authorPaiva, Nádia
dc.contributor.authorFerra, João M
dc.contributor.authorMagalhães, Fernão D
dc.contributor.authorMartins, Jorge Manuel
dc.contributor.authorCarvalho, Luisa
dc.date.accessioned2026-08-20T10:05:22Z
dc.date.available2026-08-20T10:05:22Z
dc.date.issued2022-03-03en_US
dc.date.updated2026-08-18T23:20:13Z
dc.description.abstractAmino resins are produced by two main processes: the strong acid process and the alkaline-acid process. Both use formaldehyde and a base (e.g. sodium hydroxide) in their formulation. In this work, Forward Interval Partial Least Squares methodology was applied to create prediction models for the determination of the concentration of formaldehyde and residual methanol (that is present in the formaldehyde solution) used in the production of amino resins. Near infrared (NIR) spectra were acquired at two different temperatures: 18 and 35°C. A Partial Least Squares calibration models were established with the measured values from reference methods: namely, sodium sulfite (formaldehyde) and gas chromatography (methanol). The performances of the best models were compared using the root mean square error of cross validation (RMSECV) and coefficient of determination for prediction (r2 ). The best results obtained a r2 above 0.994. The RMSECV values obtained were 0.063% (m/m) and 0.031% (m/m) for the formaldehyde and methanol concentration, respectively. External validation was performed using different formaldehyde solution samples. The NIR methodology presented in this work proved to be effective and enables a significant time reduction, when compared to the reference methods, in the measurement of formaldehyde and methanol concentrations.eng
dc.description.versionN/A
dc.identifier.citationMagalhães R, Paiva N, Ferra JM, Magalhães FD, Martins JM, Carvalho LH. Prediction of formaldehyde and residual methanol concentration in formalin using near infrared spectroscopy. Journal of Near Infrared Spectroscopy. 2022;30(3):160-168. doi:10.1177/09670335221078355
dc.identifier.doi10.1177/09670335221078355en_US
dc.identifier.issn0967-0335en_US
dc.identifier.issn1751-6552en_US
dc.identifier.slugcv-prod-2967683
dc.identifier.urihttp://hdl.handle.net/10400.19/10084
dc.language.isoeng
dc.peerreviewedyes
dc.rights.uriN/A
dc.subjectNear infrared spectroscopy
dc.subjectmultivariate analysis
dc.subjectchemometrics
dc.subjectformaldehyde
dc.subjectmethanol
dc.titlePrediction of formaldehyde and residual methanol concentration in formalin using near infrared spectroscopyen_US
dc.typeresearch articleen_US
dspace.entity.typePublication
oaire.citation.issue3
oaire.citation.startPage096703352210783
oaire.citation.titleJournal of Near Infrared Spectroscopyen_US
oaire.citation.volume30
oaire.versionhttp://purl.org/coar/version/c_970fb48d4fbd8a85
person.familyNameMartins
person.familyNameCarvalho
person.givenNameJorge Manuel
person.givenNameLuisa
person.identifier.orcid0000-0002-1189-0497
person.identifier.orcid0000-0003-4557-7113
rcaap.cv.cienciaid6916-048F-9FD3 | Luísa Maria Hora de Carvalho
rcaap.rightsrestrictedAccessen_US
relation.isAuthorOfPublication843fe3ed-d71c-4115-9880-391b21de3644
relation.isAuthorOfPublicationf03fa799-1335-4bf0-92ba-4a7aeb96537c
relation.isAuthorOfPublication.latestForDiscovery843fe3ed-d71c-4115-9880-391b21de3644

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