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Generation of Skeletal Chemical Mechanisms of Liquid Hydrocarbon Fuels for CFD Applications

Generation of Skeletal Chemical Mechanisms of Liquid Hydrocarbon Fuels for CFD Applications

Monday 07/02/2022
  • Alon Naor
  • Work towards MSc degree under the supervision of Asst.Prof. Dan Michaels (AE/Technion) Counsellor Asst.Prof. Alon Grinberg Dana (ChemEng/Technion)
  • Department of Aerospace Engineering
  • Technion – Israel Institute of Technology
  • The talk will be given in English

This work suggests and demonstrates a method for generating reduced chemical kinetic mechanisms for aviation fuels. Small but accurate mechanisms are needed for use in Computational Fluid Dynamics (CFD) combustion applications, saving complex and expensive lab experiments. The focus is on the ability to predict flame stabilization in premixed pre-vaporized gas turbine combustors on elevated pressures and high temperature conditions, which describe practical combustion. Initially, the Reaction Mechanism Generator is used for generating a detailed mechanism at compositions and conditions of interest, for which experimental data may be limited or nonexistent. Subsequently, a path flux analysis algorithm is used to generate reduced mechanisms with different numbers of species.  Finally, laminar premixed flame, opposed jet premixed flame, and auto-ignition calculations are used to select the smallest mechanism with an acceptable error. The method was implemented to generate reduced mechanisms of key fuel components – propane, n-dodecane, methyl-cyclo-hexane, and surrogate of JP-8 aviation fuel at an elevated pressure of 20 atm. The work includes validations with the limited available experimental data and sensitivity analyses. The reduced mechanisms presented satisfactory performances compared to existing ones, despite their much smaller size. With the suggested process, one can generate new skeletal chemical mechanisms which predict quite well the combustion phenomena of interest at the actual combustor conditions. This is especially useful when relevant experimental data is not available for model optimization. The new approach can be used to improve the representation of the chemical kinetic process of real jet fuels in CFD simulations.

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