Kinetics of complex reaction systems such as DCC-Ⅰ on molecular scale were simulated by the method which combined Monte Carlo simulation and Structural Oriented Lumping

75 reaction rules including the reactions of paraffins

olefins

naphthenics and aromatics were made to build the reaction networks of complex reaction system DCC-Ⅰ. For the sake of comparing the simulation result data

the Joback Group Contribution method was used to divide the product molecules to gas

liquid petroleum gas(LPG)

gasoline

light cycle oil(LCO)

heavy cycle oil(HCO) and coke. The results showed that the relationship of products yields with the extent of reaction was reasonable.The yields and properties of major products

propylene and gasoline

to an optimized extent of reaction gave good agreement with the plant data

which showed that the reaction rules and the reaction network could reflect the characters of DCC-Ⅰ very well.