A catalyst acid property-included stoichiometric coefficient model for catalytic pyrolysis of hydrocarbon mixtures

Process modeling is considered an effective way to achieve refined management in the petrochemical industry, and is also the foundation and necessary link of intelligent chemical platform construction. This study aims to the simulation of the formation of gaseous products for the catalytic pyrolysis of representative naphtha compositions using a stoichiometric coefficient model. Firstly, the interaction mechanism of n/cyclo-paraffins was investigated using a pseudo-first-order kinetic model, and the cracking activity of hydrocarbon mixtures was quantified using the carbon number and cyclo-paraffin content. Subsequently, a database of the stoichiometric coefficients of the gaseous products was constructed. Considering the acid properties of the catalysts, a catalyst acid property-included stoichiometric coefficient model was developed to adapt to varying feedstock composition and catalyst systems, which could reflect gaseous production in the catalytic pyrolysis of multi-component mixed hydrocarbons. Moreover, the simulation using the present model shows that the production of light olefins in the catalytic pyrolysis of mixed hydrocarbons can be increased under the optimized catalyst acid properties. Hence, this study aims to provides theoretical guidance for the prediction of product distribution as well as the design and selection of catalysts used in the catalytic pyrolysis processes for multi-component mixed hydrocarbon.