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Challenges of modeling steam cracking of heavy feedstocks

Kevin Van Geem (UGent) , Marie-Françoise Reyniers (UGent) and Guy Marin (UGent)
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Abstract
Today single event microkinetic (SEMK) models for steam cracking of hydrocarbons allow simulating the conversion of heavy fractions. The key challenge to model the cracking behavior of these heavy feedstocks is related to feedstock reconstruction. The latter depends on the required level of molecular detail of the reaction network and of the feedstock characterization/ reconstruction model. This is illustrated for gas condensate feedstocks. Comparison of yield predictions with yields obtained in a pilot plant illustrate how uncertainties in the feedstock characterization propagate to the simulation results. The combination of a SEMK model and the feedstock reconstruction method based on maximization of the Shannon entropy allows to obtain accurate simulation results, provided that the specific density, the global PIONA weight or volume fractions, and the initial, 50% and final boiling point are known. Specifying less commercial indices results in a decrease of the agreement between simulated and experimentally obtained product yields. The developed methodology can be extended in a straightforward way to any heavy feedstock.
Keywords
MONOMOLECULAR REACTION SYSTEMS, 2-DIMENSIONAL GAS-CHROMATOGRAPHY, COMPLEX-REACTION SYSTEMS, THERMAL-CRACKING, CATALYTIC CRACKING, MOLECULAR RECONSTRUCTION, HYDROCARBON PYROLYSIS, PRODUCT DISTRIBUTIONS, AUTOMATIC-GENERATION, COMPUTER-GENERATION

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Chicago
Van Geem, Kevin, Marie-Françoise Reyniers, and Guy Marin. 2008. “Challenges of Modeling Steam Cracking of Heavy Feedstocks.” Oil & Gas Science and Technology-revue De L Institut Francais Du Petrole 63 (1): 79–94.
APA
Van Geem, K., Reyniers, M.-F., & Marin, G. (2008). Challenges of modeling steam cracking of heavy feedstocks. OIL & GAS SCIENCE AND TECHNOLOGY-REVUE DE L INSTITUT FRANCAIS DU PETROLE, 63(1), 79–94. Presented at the International Conference on Molecular Structure of Heavy Oils and Coal Liquefaction Products.
Vancouver
1.
Van Geem K, Reyniers M-F, Marin G. Challenges of modeling steam cracking of heavy feedstocks. OIL & GAS SCIENCE AND TECHNOLOGY-REVUE DE L INSTITUT FRANCAIS DU PETROLE. 2008;63(1):79–94.
MLA
Van Geem, Kevin, Marie-Françoise Reyniers, and Guy Marin. “Challenges of Modeling Steam Cracking of Heavy Feedstocks.” OIL & GAS SCIENCE AND TECHNOLOGY-REVUE DE L INSTITUT FRANCAIS DU PETROLE 63.1 (2008): 79–94. Print.
@article{409153,
  abstract     = {Today single event microkinetic (SEMK) models for steam cracking of hydrocarbons allow simulating the conversion of heavy fractions. The key challenge to model the cracking behavior of these heavy feedstocks is related to feedstock reconstruction. The latter depends on the required level of molecular detail of the reaction network and of the feedstock characterization/ reconstruction model. This is illustrated for gas condensate feedstocks. Comparison of yield predictions with yields obtained in a pilot plant illustrate how uncertainties in the feedstock characterization propagate to the simulation results. The combination of a SEMK model and the feedstock reconstruction method based on maximization of the Shannon entropy allows to obtain accurate simulation results, provided that the specific density, the global PIONA weight or volume fractions, and the initial, 50\% and final boiling point are known. Specifying less commercial indices results in a decrease of the agreement between simulated and experimentally obtained product yields. The developed methodology can be extended in a straightforward way to any heavy feedstock.},
  author       = {Van Geem, Kevin and Reyniers, Marie-Fran\c{c}oise and Marin, Guy},
  issn         = {1294-4475},
  journal      = {OIL \& GAS SCIENCE AND TECHNOLOGY-REVUE DE L INSTITUT FRANCAIS DU PETROLE},
  language     = {eng},
  location     = {Lyon, France},
  number       = {1},
  pages        = {79--94},
  title        = {Challenges of modeling steam cracking of heavy feedstocks},
  url          = {http://dx.doi.org/10.2516/ogst:2007084},
  volume       = {63},
  year         = {2008},
}

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