MOLECULAR KINETICS OF COMPLEX REACTION SYSTEMS(II) SIMULATION OF DEEP CATALYTIC CRACKING
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