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In situ monitoring of polyurethane cure using fibre-optical FT-NIR spectroscopy

Laboratoire Matériaux Macromoléculaires, INSA Lyon, UMR CNRS 5627, IMP 20 av. A. Einstein, 69621 Villeurbanne Cedex, France, samira.benali{at}umh.ac.be

D. Bertrand

Unité de Sensométrie et de Chemiométrie, ENITIAA-INRA, Rue de la Géraudière B.P 44322 Nantes Cedex 03, France

J. Dupuy

Laboratoire Matériaux Macromoléculaires, INSA Lyon, UMR CNRS 5627, IMP 20 av. A. Einstein, 69621 Villeurbanne Cedex, France

G. Lachenal

Laboratoire des Matériaux Plastiques et des Biomatériaux, UCBL, UMR CNRS 5627 IMP, 43, bd du 11 novembre 1918, 69622 Villeurbanne Cedex, France

A. Maazouz

Laboratoire Matériaux Macromoléculaires, INSA Lyon, UMR CNRS 5627, IMP 20 av. A. Einstein, 69621 Villeurbanne Cedex, France

In-line monitoring of the reaction extent of polyurethane during a reactive injection moulding (RIM) process is carried out using fibre-optic near infrared (NIR) spectroscopy. Up to 250 transmission spectra are recorded during the reaction. Univariate and multivariate analysis of transmittance spectra were used to calculate the chemical conversion. A good agreement is observed between first principal component of principal component analysis (PCA), and univariate (Beer—Lambert) results. It is observed that, in this case, the PCA method can provide a good practical estimation of the time-concentration profile during the reaction, without the need of the time-consuming calibration methods. The scores of PC1 are merely linearly correlated to the level of conversion and contain enough information for the quantitative analysis. As expected interactions and hydrogen-bonding play an important role. Hence the spectral region of PCA analysis has to be carefully selected to obtain a good agreement with the Beer—Lambert law. The NIR spectroscopy and the PCA are easy-to-use techniques for on line monitoring of polyurethane reactions and these results open up a low cost effective opportunity for monitoring the fast RIM process.

Key Words: chemometrics • near infrared spectroscopy • polyurethane reactive system • reaction injection moulding.

References

• Andrew, J.J. and Hancewicz, T.M. 1998: Rapid analysis of Raman image data using two-way multivariate curve resolution . Applied Spectroscopy 52, 797 .[CrossRef][Web of Science]
• Aries, R.E., Sellors, J. and Spragg, R.A. 1998: In Davies, A.M.C. and Creaser, C.S., editors. Analytical applications of spectroscopy II. Royal Society of Chemistry .
• Aust, J.F., Booksh, K.S., Stellman, C.M., Parnas, R.S. and Myrick, M.L. 1997: Precise determination of percent cure of epoxide polymers and composites via fibers-optics raman spectroscopy and multivariate analysis . Applied Spectroscopy. 51, 247 .[CrossRef][Web of Science]
• Benali, S., 2001: Etude cinétique et rhéologique des systèmes polyuréthanes — Application au suivi in-situ du procédé RIM. PhD thesis, Institut Nationale des Sciences Appliquées of Lyon .
• Benali, S., Bouchet, J. and Lachenal, G. 2004: Chemeorheology: a new design for simultaneous rheological and Fourier transform near infrared analysis . Journal of Near Infrared Spectroscopy 12, 5 .[Web of Science]
• Benali, S., Bertrand, D., Dupuy, J. and Lachenal, G. 2005: Simultaneous near infrared spectroscopy and dynamic rheological analysis for process monitoring of reactive polymers . Spectroscopy Europe 17, 18 .
• Bertrand, D. and Dufour, E. 2000: La spectroscopie Infrarouge et ses Applications Analytiques. Tec&Doc .
• Blanco, M., Coello, J., Itturiaga, H., Maspoch, S. and Villegas, N. 1999: Kinetic spectrophotometric determination of hydrocortisone acetate in a pharmaceutical preparation by use of partial least-squares regression . Analyst 124, 911—915 .[CrossRef][Medline] [Order article via Infotrieve]
• Brimmer, P., Monfre, S. and De Thomas, F.A. 1992: In Murray, I and Cowes I.A., editors. Making light work: Advancing NIR spectroscopy. VCH , 554—65.
• Chabert, B., Lachenal, G. and Vinh-Tung, C. 1995: Epoxy resins and epoxy blends studied by near infrared spectroscopy . Macromolecular Symposia. 94, 145 .[Web of Science]
• Chalmer, J.M. 2000: Spectroscopy in process analysis. Sheffield Academic Press .
• Coello, J., Fragga, J.M.G., Iturriaga, H., Maspoch, S. and Pages, J. 1997: Determination of finishing oils in acrylique fibres by near-infrared reflectance spectrometry . Analyst 122, 777—81 .[CrossRef]
• Coleman, M.M., Lee, K.H., Skrovanek, D.J. and Painter, P.C. 1986: Hydrogen bonding in polymers. 4. Infrared temperature studies of a simple polyurethane . Macromolecules 19, 2149—57 .[CrossRef][Web of Science]
• Corti, P., Ceramelli, L., Dreassi, E. and Matti, S. 1999: Near infrared transmittance analysis for the assay of solid pharmaceutical dosage forms . Analyst 124, 755—58 .[CrossRef][Medline] [Order article via Infotrieve]
• Cuesta, F.S., Rutan, S.C., Garcia, M.D.G. and Massart, D.L. 1997: Resolution of multicomponent overlaped peak by the orthogonal projection approach, evolving factor analysis and window factor analysis. Chemometrics and Intelligent Laboratory System 36, 153 .
• De Thomas, F.A., Hall, J.W. and Monfre, S.L. 1994: Real-time monitoring of polyurethane production using near-infrared spectroscopy . Talanta 41, 425—31 .[Medline] [Order article via Infotrieve]
• Dittmar, K., Siesler, H.W. and Fresenius, J. 1998: Near-infrared light-fiber spectroscopic reaction monitoring of the synthesis of diphenylurethane . Analytical Chemistry 362, 109 .
• Dreassi, E., Ceramelli, G., Fabbri, L., Vocioni, F., Bartalini, and Corti, P. 1997: Application of near-infrared reflectance spectrometry in the study of atopy. part 1. investigation of skin spectra . Analyst 122, 767—70 .[CrossRef][Medline] [Order article via Infotrieve]
• Dupuy, J., Benali, S., Maazouz, A., Lachenal, G. and Bertrand, D. 2002: FT-NIR monitoring of a scattering polyurethane manufactured by reaction injection molding (RIM): Univariate and multivariate analysis versus kinetic predictions . Macromolecular Symposia 184, 249—60 .[CrossRef][Web of Science]
• Furusjö, E. and Danielsson, L.G. 1998: A method for the determination of reaction mechanisms and rate constants from two-way spectroscopic data . Analytica Chimica Acta 373, 83—94 .[CrossRef][Web of Science]
• Furusjö, E. and Danielsson, L.G. 2000: Target testing procedure for determining chemical kinetics from spectroscopic data with absorption shifts and baseline drift. Chemometrics and Intellient Laboratory Systems 50, 63—73 .
• Hansen, M.G. and Vedula, S. 1998: In-line fiber-optic near-infrared spectroscopy: Monitoring of rheological properties in an extrusion process. Part I. Journal of Applied Polymer Science 68, 859 .
• Joliffe, I.T. 1996: Principal component analysis. Springer Verlab .
• Laasonen, M., Rantanen, J., HarmiaPulkinen, T., Michiels, E., Hiltunen, R., Räsänen, M. and Vuorela, H. 2001: Near infrared reflectance spectroscopy for the fast identification of PVC-based films . Analyst 126, 1122—28 .[CrossRef][Medline] [Order article via Infotrieve]
• Lachenal, G. and Osaki, Y. 1999: Advantage of near infrared spectroscopy for the analysis of polymers and composites . Macromolecular Symposia 141, 283—92 .[Web of Science]
• Long, S.D., Dawood, I., Coates, P.D. and Johnson, A.F. 1995: Influence of reaction injection moulding (RIM) processing variables on the mechanical properties of a commercial linear segmented polyamide . Plastics, Rubber and Composits Processing and Applications 23, 161 .
• Macosko, C.W. 1994: RIM: Fundamentals of reaction injection moulding. Hanser Publishing .
• Maeda, H., Osaki, Y., Tanaka, M., Hayashi, N. and Kojima, T. 1995: Near infrared spectroscopy and chemometrics studies of temperature-dependent spectral variations of water: Relationship between spectral changes and hydrogen bonds . Journal of Near Infrared Spectroscopy 3, 191—201 .
• Martens, H. and Naes, T. 1989: Multivariation calibration. John Wiley & Sons .
• Miller, C.E. and Eichinger, B.E. 1991: Analysis of reaction-injection-molded polyurethane by near-infrared diffuse reflectance spectroscopy. Journal of Applied Polymer Science 42, 2169 .
• Norris, T., Aldridge, P.K. and Sekulic, S.S. 1997: Determination of end-points for polymorph conversions of crystalline organique compounds using on-line near-infrared spectroscopy . Analyst 122, 549 .[CrossRef]
• Priester, R.D. Jr, Mc Clusky, J.J.V., Cortelk, D.I., Carleton, P.S. and Porter, J.R. 1994: In mold RIM kinetics via mid-infrared fiber optic FT-IR . Journal of Reinforced Plastics and Composites 13, 68—86 .[Medline] [Order article via Infotrieve]
• Quinn, A.C., Gemperline, P.J., Baker, B., Zhu, M. and Walker, D.S. 1999: Fiber-optic UV/visible composition monitoring for process control of batchreactions. Chemometrics and Intelligent Laboratory Systems 45, 214 .
• Rey, L., Galy, J., Sautereau, H., Lachenal, G., Henry, D. and Vial, J. 2000: Near-infrared spectroscopy for in situ cure monitoring of dimethacrylate-based networks . Applied Spectroscopy 54, 39 .[CrossRef][Web of Science]
• Sasic, S., Kita, Y., Furukawa, T., Siesler, H.W. and Osaki, Y. 2000: Monitoring the melt-extrusion transesterification of ethylenevinylacetate copolymer by self-modeling curve resolution analysis of on-line near-infrared spectra . Analyst 125, 2315 .[CrossRef][Medline] [Order article via Infotrieve]
• Sandorfy, C. 1979: Overtones and combination tones: Application to the study of molecular associations. In Theophanides, Th. M, editor, Infrared and Raman spectroscopy of biological molecules. D. Reidel , 305—18.
• Stevenson, I., Lachenal, G. and Celette, N. 2001: Near-infrared transmittance spectroscopy for radiochemical ageing of EPDM . Analyst 126, 2201—206 .[CrossRef][Medline] [Order article via Infotrieve]
• Thomson, M.A., Melling, P.J. and Stepski, A.M. 2001: Real time monitoring of isocyanate chemistry using fibre-optic FTIR probe . Polymer Preprints 42, 310—11 .
• Wulfert, F., Kok, W.T. and Smilde, A.K. 1998: Influence of temperature on vibrational spectra and consequences for the predictive ability of multivariate models . Analytical Chemistry 70, 1761—67 .

Transactions of the Institute of Measurement and Control, Vol. 29, No. 5, 417-429 (2007)
DOI: 10.1177/0142331207079812


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