Detailed kinetic modeling of autocatalysis in methane pyrolysis

摘要: A detailed kinetic model is developed to explain the observed acceleration in rates of product formation during pyrolysis methane at 0.58 atm and 1038 K. This model, obtained by a systematic simplification much larger one, consists 44 reactions involving 25 species. The includes number chemically activated complexes formed radical addition recombination reactions, with for unimolecular reaction bimolecular stabilization these energized evaluated QRRK formalism. combination rate analysis as well sensitivity used show that lead surprisingly rapid production cyclopentadiene very low extents conversion ({approx} 0.1%) dissociation accounts rate. An optimization procedure was obtain an accurate description kinetics without compromising theoretical plausibility constants.