A molecular kinetic model for catalytic pyrolysis process of FCC gasoline in a pulsating reactionchromatograph equipment was developed by the structureoriented lumping (SOL)method combined with Monte Carlo (MC)simulationSOL was applied here to describe the structure of hydrocarbons and establish reaction networkSeven structure vectors were designed to construct the hydrocarbon molecules that existed in gasolineNinetytwo kinds of hydrocarbons covering most in FCC gasoline were generated as fundamental molecules and 2000 molecules were drawn out as a whole to represent the composition of FCC gasoline from those 92 kinds whose numbers were determined by mole fractionsBy integral calculating each molecule reaction probability using the MC method
the product distribution could be obtainedEleven typical hydrocarbons involved basically in pyrolysis reactions were chosen as model compoundsThe rules of their reactions were studied
and a reaction framework was established and reaction rate constants were calculated on the basis of such rulesThe results showed that the simulation method of combining SOL and MC for constructing molecular kinetic model was advisableThe simulated product yields fitted well with the experimental resultsRelative errors of most product yields were less than 10%This model also had an ability to predict product yields when prolonging the reaction time.