Composition-based Modeling for Predicting Olefin Yields of Naphtha Steam Cracking by the Monte Carlo Method.

A composition based model, constructed from the Monte Carlo method, for predicting ethylene, propylene, and butadiene yields in naphtha steam cracking process was developed. Seven structure vectors and 68 reaction rules have been designed to describe molecular composition and reactions. The Monte Carlo method was applied to simulate the cracking process. Seven kinds of model compounds, one kind of their mixtures, and straight-run naphtha have been used, respectively, as feedstock of the simulation at industry operating conditions to verify the validity of the proposed model. The results indicated that predicted data agreed well with the experimentally observed data. [ABSTRACT FROM AUTHOR]