A molecular kinetic model for naphtha steam cracking based on structure oriented lumping

被引：0
|
作者：
Shen B. [1 ]
Tian L. [1 ]
Liu J. [1 ]
机构：
[1] State Key Laboratory of Chemical Engineering, East China University of Science and Technology
来源：
Shiyou Xuebao, Shiyou Jiagong/Acta Petrolei Sinica (Petroleum Processing Section) | 2010年 / 26卷 / SUPPL. 1期
关键词：
Kinetics; Naphtha steam cracking; Reaction networks; Structure oriented lumping;
D O I：
10.3969/j.issn.1001-8719.2010.z1.042
中图分类号：
学科分类号：
摘要：
A structure oriented lumping model for naphtha steam cracking has been developed by representing feedstock molecules and constructing reaction networks with structure oriented Lumping method, calculating reaction rate constant with Materials Studio software and solving kinetic differential equations with fourth-fifth-order Runge-Kutta algorithm. Seven structure vectors and 74 reaction rules have been designed to describe molecular composition and their reactions. The model can predict product distribution of different naphtha steam cracking processes at various operating conditions. Simulation results indicated that predicted data agreed well with the experimental results. Relative errors of the yields for ethylene and propylene were not more than 8%. Model also has a certain ability to predict non-main products like methane.
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页码：218 / 225
页数：7
相关论文
共 12 条
  • [1] (2000)
  • [2] Niaei A., Towfighi J., Khataee A.R., Et al., The use of ANN and the mathematical model for prediction of the main product yields in the thermal cracking of naphtha, Petroleum Science and Technology, 25, pp. 967-982, (2007)
  • [3] Dente M., Ranzi E., Goossens A.G., Detailed prediction of olefin yields from hydrocarbon pyrolysis through a fundamental simulation model(SPYRO), Computer & Chemical Engineering, 3, pp. 61-75, (1979)
  • [4] Sadrameli S.M., Green A.E.S., Systematics and modeling representations of naphtha thermal cracking for olefin production, J Anal Appl Pyrolysis, 73, pp. 305-313, (2005)
  • [5] Quann R.J., Jaffe S.B., Structure-oriented lumping: Describing the chemistry of complex hydrocarbon mixtures, Ind Eng Chem Res, 31, pp. 2483-2497, (1992)
  • [6] Quann R.J., Jaffe S.B., Building useful models of complex reaction systems in petroleum refining, Chemical Engineering Science, 51, 10, pp. 1615-1635, (1996)
  • [7] Belohlav Z., Zamostny P., Herink T., The kinetic model of thermal cracking for olefins production, Chemical Engineering and Processing, 42, pp. 461-473, (2003)
  • [8] Allara D.L., Shaw R., A compilation of kinetic parameters for the thermal degradation of n-alkane molecules, J Phys Chem Ref Data, 9, 3, pp. 523-559, (1980)
  • [9] van Speybroeck V., Reyniers M.F., Marin C.B., Et al., The kinetics of cyclization reactions on polyaromatics from first principles, Chemphyscem, 3, pp. 863-870, (2002)
  • [10] (2004)
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