Comprehensive Numerical Simulation Of Free Radical Reactions Mechanism Of N-pentane Thermal Cracking

Hydrocarbon steam pyrolysis kinetic model is an important aspect of the impact the accuracy of the thermal cracking process.Due to the characteristics of free radicals reaction of thermal cracking,so far,the progress of experimental study on free radical mechanism of single hydrocarbon molecules is very slow.With the development of computer techology and sofeware,numerical simulation has become an important scientific research methods except of experimental research.In this paper,the primary and secondary reactions of n-pentane was simulated by theoretical methods of numerical simulation.First,the existing dynamics data of the primary reaction of n-pentane which does not comply with thermal cracking law were analyzed and re-simulated.The anomalous data which different from experimental results were explained.After calculation of the Aspen plus software,a new product has been obtained with the experimental results of n-pentane thermal cracking;Then the mechanism of 1-pentene,2-pentene and 1-butylene thermal cracking was studied with this new method,and the law of the three olifens has been obtained.Finally the product distribution of the total thermal cracking reaction of n-pentane has been calculated with the combination of a new thermal cracking primary data of n-pentane and the thermal cracking data of 2-pentene and 1-butylene.Simulated data is consistent with the experimental data.According to the study of free redial mechasim of n-pentane thermal cracking,the study of hydrocarbon steam pyrolysis radical mechanism can be speeded up with the new theoretical method propsed in this paper.The progress of the study of hydrocarbons thermal cracking Dynamics Model can be solved on the premise of saving manpower and financial resources.