![]() ► Define or select a chemistry set – Thermodynamic data – Gas-phase reactions – Surface reactions – Transport-property data Using CHEMKIN requires a chemistry set, reactor definition, and operating conditions ► Choose a reactor model ► Define the geometry ► Specify operating conditions Provides accurate information about reacting system – Trace species emissions » (parts per billion or smaller)Īccurate handling of kinetics time and length scales Complex dependency between major & minor species Dominant reaction paths Sensitivity of results to reaction parameters de facto standard for describing elementary kineticsĬomputational time for single reactor ~ seconds-minutes – PC, Linux, UNIX 5ĭetailed kinetics are critical for accurately modeling chemical systems Exhaust-gas emissions Ignition phenomena Engine knock Flame-speed Flammability limits Catalytic lightoff Chemical conversion Fuel reforming Material deposition Plasma processing 6 ![]() The CHEMKIN approach provides efficient solutions with very short set-up time Supports large chemical kinetic mechanisms – 100s of species – 1000s of reactions Plug-flow Reactor (PFR) Perfectly Stirred Reactor (PSR) Partially Stirred Reactor ![]() Outline Brief Introduction – What is CHEMKIN? CHEMKIN 4.1 – released July 2006 – – – – – –Īll New Graphical Post-processing Parameter-study Facility Particle Tracking Module (optional) More Complex Reactor Networks New Chemistry Formulations Reactor Model EnhancementsĬHEMKIN® software allows focus on chemistry using engineering approximations Introducing CHEMKIN 4.1 Ellen Meeks CHEMKIN in Combustion Workshop August 6, 2006 ![]()
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January 2023
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