Mechanistic model for the catalytic cracking of n-hexane over calcium aluminate catalysts for producing light alkenes

Abstract

A detailed chemical kinetic mechanism describing the thermal and catalytic cracking of n-hexane over a 12CaO·7Al2O3 catalyst is presented. The model was based on balance equations for both molecular and radical species describing an experimental bench scale fixed bed reactor system. Using Gear's algorithm for solving the differential equations, a satisfactory fit of experimental results was obtained both at low residence time where the alkenes are the main products and at high residence time where the formation of hydrogen plus carbon monoxide predominates.