Network simulation of catalytic cracking reactions

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In this work we present a new semi-lumped model for cracking of paraffins. The model involves simulation of the ensemble of reactions taking place during catalytic cracking of paraffins. The reaction scheme is detailed to the carbon atom number level, i.e., in this approach all molecules having the same carbon atom number are lumped together. A large number of reactions between all these species are taken into account, ranging from cracking, hydride transfer and chain growth—eventually leading to coking. The rate constants for all these reactions are described in a nine parameter system of equations that describes the way the kinetic rate constants change with the carbon atom number of both reactant and, when necessary, products. The significance of the nine rate constant parameters is discussed.