Modeling of thermal cracking kinetics—I: Thermal cracking of ethane, propane and their mixtures

Abstract

Molecular reaction schemes for the thermal cracking of ethane, propane and their mixtures have been derived from observed product distribution, radical mechanisms, and thermodynamic principles. The rate parameters were determined in a systematic way by estimation techniques minimizing a multi-response objective function. Discrimination between rival models was based upon physical criteria and statistical tests. The reaction scheme obtained by the superposition of single component cracking also satisfactorily fits the data for the cracking of mixtures of ethane and propane.