Forschungs- & Entwicklungsinformationsdienst der Gemeinschaft - CORDIS

FP5

THALOZ Berichtzusammenfassung

Project ID: EVK2-CT-2001-00104
Gefördert unter: FP5-EESD
Land: Germany

Analytical method development: principal and independent components analysis of overlapping spectra in the context of multichannel time-resolved absorption spectroscopy

The separation of overlapping absorption spectra in the context of multichannel time-resolved absorption spectroscopy and chemical kinetics is a particular case in the general problem of splitting the observed data into several linear components. Here, principal and independent components analysis are applied to kinetic data of iodine–ozone chemistry, which contains overlapping spectra of different absorbers. The objective of this work is to demonstrate a method, which in spite of this overlap is able to extract separated time traces of such absorbers. These time traces are clearly a pre-requisite for any further accurate quantitative analysis. The statistical properties of data recordings obtained from flash photolysis of I2 and O3 have been studied to check if the requirements of the model are fulfilled. Results of separation in appropriate spectral windows displaying overlapped vibrational features are presented. Validation is made using prior information and conventional techniques.

Citation: Juan Carlos Gomez Martin, Peter Spietz, Johannes Orphal and John P. Burrows, Principal and independent components analysis of overlapping spectra in the context of multichannel time-resolved absorption spectroscopy, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Volume 60, Issue 11, September 2004, Pages 2673-2693

Kontakt

John Philip BURROWS, (Professor and Head of Research Group)
Tel.: +49-421-2184548
Fax: +49-421-2184555
E-Mail-Adresse
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