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The Strathprints institutional repository is a digital archive of University of Strathclyde's Open Access research outputs. Strathprints provides access to thousands of Open Access research papers by University of Strathclyde researchers, including by researchers from the Department of Computer & Information Sciences involved in mathematically structured programming, similarity and metric search, computer security, software systems, combinatronics and digital health.

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In-line monitoring of esterification using a miniaturised mid-Infrared spectrometer

Littlejohn, D. and McGill, C.A. and Ferguson, R.H. and Nordon, A. and Donoghue, K.G. (2003) In-line monitoring of esterification using a miniaturised mid-Infrared spectrometer. Analyst, 128. pp. 1467-1470. ISSN 0003-2654

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Abstract

A miniaturised mid-infrared (MIR) spectrometer attached directly to an in-line immersion probe with an attenuated total reflectance crystal has been used to monitor the progression of the batch reaction of crotonic acid and 2-butanol in toluene. Univariate calibration, using the signal at 1188 cm−1 in the 2nd derivative spectrum, gave accurate (average error, 1.6%) and precise (average relative standard deviation, 5.2%) estimation of 2-butyl crotonate concentrations in the range 0.08–0.49 mol dm−3. Calibration by partial least squares was of no additional benefit in this application. The performance of in-line MIR spectrometry was comparable to that of an off-line reference gas chromatography method and superior to that of other in-line process analysis techniques (near-infrared, Raman or UV-visible spectrometries).