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Kinetics and Catalysis

, Volume 45, Issue 4, pp 455–466 | Cite as

On One Method of Parameter Estimation in Chemical Kinetics Using Spectra with Unknown Spectral Components

  • O. E. Rodionova
  • A. L. Pomerantsev
Article

Abstract

The method of successive estimation of regression parameters, which is widely used in nonlinear regression analysis, is applied to obtain kinetic information from spectral data for the case when the spectra of individual components are unknown. Using a model example with a two-step successive reaction, the reliability of the algorithm is demonstrated. To compare the proposed method with other known methods for estimating kinetic parameters literature data are used. All simulations were done using a new software for nonlinear regression analysis: FITTER. The proposed approach is especially useful when the spectra of reaction components are unknown and when formal calibration methods do not provide desirable accuracy.

Keywords

Physical Chemistry Regression Analysis Parameter Estimation Kinetic Parameter Spectral Data 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© MAIK “Nauka/Interperiodica” 2004

Authors and Affiliations

  • O. E. Rodionova
  • A. L. Pomerantsev

There are no affiliations available

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