Chemical Reaction Systems Sensitivity Study
SYSTEMS SCIENCE AND SOFTWARE LA JOLLA CA
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A method has been developed to investigate the sensitivity of the solutions of large sets of coupled, non-linear rate equations to uncertainities in the rate coefficients. This method is based on varying all the rate coefficients simultaneously through the introduction of a parameter in such a way that the output concentrations become periodic functions of this parameter at any given time t. The concentration of the chemical species are then Fourier analysed at time t. The amount of numerical integration required is considerably less than that required in tests of sensitivity where one varies one rate coefficient at a time. The Fourier method developed in this paper is not limited to chemical rate equation, but can be applied to the study of the sensitivity of any large system of coupled, non-linear differential equations with respect to the uncertainties in the modeling parameters. The method is successfully applied to a five reaction system describing 6000 K dissociation of air and the nine reaction combustion of H2 and O2 at 2000 K.
- Physical Chemistry