acuoci / OpenSMOKEpp_KineticOptimizer

Optimization of kinetic parameters of reactions included in a detailed kinetic mechanism

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OpenSMOKE++ KineticOptimizer

Optimization of kinetic parameters of reactions included in a detailed kinetic mechanism

The OpenSMOKE++ Kinetic Optimizer is a tool for optimizing the kinetic parameters (frequency factor, temperature exponent, and activation energy) of reactions included in a detailed kinetic mechanism to better fit experimental data and/or data coming from a more detailed/accurate kinetic mechanism.

In the current version the optimization is carried out by minimizing the distance of ignition delay times calculated in the following systems:

  • batch reactors (adiabatic or with heat exchange)
  • plug flow reactors (adiabatic or with heat exchange)

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Optimization of kinetic parameters of reactions included in a detailed kinetic mechanism


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