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摘要
Spectral soft modelling is a straightforward approach to analyse vibrational spectra obtained from process monitoring using IR or Raman spectroscopy. However, when unexpected species, i.e. species that have not been included in the calibration, contribute to the signal, the data evaluation may lead to significant errors in the determined mixture composition. We present a simple procedure that allows detection of such unexpected species and in many cases their identification as well. The evaluation approach is based on a systematic and dynamic piecewise spectral fitting algorithm facilitating the quantification of the calibrated species and the detection of unexpected ones.
- 出版日期2012-6
