Chemical Reaction Systems Sensitivity Study

Abstract

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.

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Document Details

Document Type
Technical Report
Publication Date
Sep 01, 1973
Accession Number
AD0766817

Entities

People

  • J. H. Schaibly

Organizations

  • Utility Systems Science and Software (United States)

Tags

Communities of Interest

  • Materials and Manufacturing Processes

DTIC Thesaurus Topics

  • Accuracy
  • Algorithms
  • Chemical Kinetics
  • Chemical Reactions
  • Chemistry
  • Computers
  • Couplings
  • Differential Equations
  • Distribution Functions
  • Equations
  • Error Analysis
  • Fourier Analysis
  • High Temperature
  • Numerical Analysis
  • Numerical Integration
  • Periodic Functions
  • Test And Evaluation

Readers

  • Computational Modeling and Simulation
  • Fluid Dynamics.
  • Molecular Photonics/Laser Physics