Modelling Temperature-induced Spectral Variations in Chemical Process Monitoring

With a view to ensuring the validity of multivariate calibration models in the presence of temperature variations, a new methodology, individual contribution standardization (ICS), is proposed to correct for temperature-induced spectral variations. The methodology was applied to shortwave NIR spectral data sets recorded at different temperatures. The results showed that ICS can almost eliminate temperature effects resulting in calibration models that exhibit good predictive performance. Compared with other methods, such as continuous piecewise direct standardization, ICS has the advantages of easy implementation, simple selection of the calibration model and less restrictions on the training samples. Copyright 2004 IFAC