Iterative quantitative evaluation of atmospheric FTIR-spectra obtained in open path monitoring

Computer Science

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Effects Of Clouds And Water, Ice Crystal Phenomena

Scientific paper

Open path monitoring using mobile FTIR-spectrometers is an efficient technique for air pollution analysis. Emphasis is laid on chemometric aspects for improved quantitative evaluation of mid-infrared atmospheric spectra. Multivariate techniques offer several advantages over univariate signal processing due to lower detection limits and less liability to interferences. Effects from atmospheric pressure and temperature variations, spectral wavenumber shifts and different resolutions are quantified using classical least squares regression. Iterative spectral exhaustion is considered relying on a set of reference spectra covering a range of concentrations to cope with non-linear absorbance dependencies. The spectral residuals due to model deficiencies are dependent on resolution, apodization and atmospheric measurement conditions and must be compared with possible residuals of unknown components not included in the modelling steps.

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