Abstract
Recent methods for mechanism reduction convert large detailed chemical reaction mechanisms into small systems of differential or differential-algebraic equations. A possible further step is the parameterization of reaction mechanisms, i.e. the description of chemical kinetics by explicit functions, obtained by numerical fitting to the numerical solution of differential equations. A new parameterization procedure, based on orthonormal polynomials, is described which is well applicable for fitting high-order polynomials having few effective parameters. A program is provided for the generation of multivariate Horner equations. The method is illustrated by the parameterization of a recent version of the Oregonator, a skeleton model of the oscillating Belousov—Zhabotinsky reaction.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
