文摘
The tough market situation for ethylene production has accelerated the development of a morerigorous and reliable cracking model. However, thermal cracking of naphtha has such numerousreaction routes and intermediate radicals and molecules that the detailed reaction mechanismhas not yet been determined. This research is aimed at developing a rigorous but practicalreaction mechanism for an industrial cracker model. First, the reaction mechanism set fornaphtha cracking is generated on the basis of major reaction classes in pyrolysis and feedcomponents. To reduce the computational load, the reaction mechanism set is reduced usingthe eigenvalue-eigenvector decomposition method. To compensate for the uncertainty in thekinetic parameters for a plant, the mechanism is customized based on the results of a sensitivityanalysis. The constructed reaction mechanism can be used to optimize the operating conditionsof the naphtha cracker by precise estimation of the production yield of a given naphtha samplewith a manageable computational load and flexibility toward industrial practices.