The molecular kinetic model for catalytic cracking of waste oil was developed by the structure-oriented lumping (SOL) method combined with Monte Carlo simulation. 17 structural vectors were designed to construct the waste oil molecules

and 1000 molecules were drawn out as a whole to represent the composition. Then

simulated annealing algorithm was used to optimize the raw material matrix. Moreover

the 12 reaction rules were added to the reaction of the waste oil system and Materials Studio 8.0 was used to calculate the rate constant. Finally

the construction of the molecular kinetic model was completed. The results show that the properties of feedstock and the distribution of the product can be predicted very well. The absolute error between the simulated values and the experimental values is within a reasonable range

suggesting that the calculated rate constant and the formulated reaction rules are reasonable.