Development of a Mechanistic Model for Pyrolysis of Naphtha

A detailed free-radical kinetic model has been developed to represent pyrolysis of naphtha in tubular reactors. The temperature range is about 600-870C. The kinetic model consists of 150 reactions involving 40 different chemical specis. In addition, more than 80 reactions are proposed to complete the kinetic model. The Gear method is applied to solve stiff differential equations obtained from material, heat and momentum balances. The agreement between calculated and industrial data reported by Arak Petrochemical Complex (Tehran) is reasonably good.