A functional group-based approach containing catalyst properties to modeling catalytic pyrolysis of multiple hydrocarbon mixtures

The intricate composition of naphtha poses a significant challenge in formulating a comprehensive modeling approach for the production of light olefins. In this study, the intricate composition of the feedstock was described based on the weight percentage of the functional groups. At the same time, the distribution variations of the pyrolysis products were characterized using their stoichiometric coefficients (SCs). Consequently, a functional group-based approach was proposed to model the catalytic pyrolysis of multiple hydrocarbon mixtures over ZSM-5 based catalysts by establishing a quantitative correlation between the composition of the functional groups and the SCs of the pyrolysis products. Furthermore, a comprehensive functional group-based approach was developed to integrate catalyst properties by relating their acidity to the SCs of pyrolysis products. This modeling approach allows for precise forecasting of product compositions across a range of feedstocks and catalyst systems, with a maximum error of 1.15 wt%. In addition, this modeling method can also be used to optimize feedstock blends and tailor acid properties to maximize light olefin production, highlighting its potential for use in various hydrocarbon mixtures.