A Novel Kinetic Model for Complex Reaction Systems in Molecular Level: Part 1. Monte Carlo Simulation of Feedstock

Abstract

The kinetics of complex reaction systems were studied in molecular level with the combined method of Monte Carlo simulation and structural oriented lumping by focusing on deep catalytic cracking. A method to transform the plant regular analytical data for a complex feedstock into a set (1,000) of representative molecules was developed. Each molecule was expressed as a vector with 19 attributes. The results of model simulation showed that these 1,000 molecules well reflected the characters of feedstock, and their average properties gave a good agreement with the plant data.