Determination of acetonitrile and ethanol in water by guided microwave spectroscopy with multivariate calibration.
The feasibility of using guided microwave spectroscopy (GMS) utilizing the frequency range 0.25-3.20 GHz, was combined with multivariate calibration for the determination of acetonitrile or ethanol concentration in water. A wide range of different concentrations was used (up to 30% v/v). Partial least squares (PLS) and weighted ridge regression (WRR) was applied to generate a model for prediction, based upon the microwave spectra. A high level of collinearity was observed in both of the sample data sets and this was reduced by background subtraction. The prediction ability for the two types of regression models were found to be comparable with the percentage error of prediction (PEP) being approximately 2.5% for the acetonitrile samples and 1.1% for ethanol samples.
Walmsley
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Department of Chemistry, Faculty of Science and the Environment, University of Hull, Cottingham Road, Hull, UK HU6 7RX. a.d.walmsley@chem.hull.ac.uk
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