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Towards Parameter Identification for Large Chemical Reaction Systems

  • U. Nowak
  • P. Deuflhard
Part of the Progress in Scientific Computing book series (PSC, volume 2)

Abstract

A standard task in the modelling of chemical reaction systems (CRS) is the identification of rate constants in the kinetic equations from given experimental data — which is the often so-called inverse problem (IP) of chemical kinetics (as opposed to simulation, the direct problem). For sufficiently complex CRS, the modelling problem itself is already rather intricate. So there is a need for user-oriented software that allows the chemist to concentrate on the chemistry of his process under investigation. As a first step in this direction, simulation packages have been developed — such as FACSIMILE [5], CHEMKIN [15] or LARKIN [10,3].

Keywords

Incompatibility Factor Complex Chemical Reaction System Sparse Matrix Technique Stiff Integrator Parameter Identification Technique 
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

© Birkhäuser Boston 1983

Authors and Affiliations

  • U. Nowak
  • P. Deuflhard

There are no affiliations available

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