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Mechanistic Modelling of the Catalytic Pyrolysis of Methylcyclohexane
Author(s) -
Singh Om. V.,
Pant K. K.
Publication year - 2003
Publication title -
the canadian journal of chemical engineering
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.404
H-Index - 67
eISSN - 1939-019X
pISSN - 0008-4034
DOI - 10.1002/cjce.5450810509
Subject(s) - methylcyclohexane , catalysis , pyrolysis , kinetics , cracking , chemistry , thermodynamics , fluid catalytic cracking , decomposition , product distribution , mechanism (biology) , reaction mechanism , computational chemistry , organic chemistry , physics , quantum mechanics
A detailed chemical kinetic mechanism describing the thermal and catalytic cracking of methylcyclohexane over a 12CaO.7Al 2 O 3 catalyst is presented. The model is based on balanced equations for both molecular and radical species describing an experimental fixed‐bed reactor system. The mechanistic model is based on overall first‐order decomposition kinetics, which satisfactorily describes experimental data. The simulated product distributions show a reasonably good agreement with the experimental results and confirm the hypothesis that the catalyst does not affect the pyrolysis mechanism and only increases the rate of the initiation steps.