Application of Independent Component Analysis to Chemical Reactions
نویسندگان
چکیده
The analysis of kinetic data monitored using spectroscopic techniques and its resolution into its unknown components is described. Independent Component Analysis (ICA) can be considered a calibration free technique with the outcome of the analyses being the spectral profiles of the unknown species. This enables the realisation of qualitative information concerning the identification of the number and type of components present within the reaction mixture over time. The ICA approaches of FastICA and JADE and the calibration free technique of multivariate curve resolution-alternating least squares were applied to the mixture spectra of a first order synthetic reaction. For all approaches the signal was successfully separated from the constituent components.
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