Ghent University Academic Bibliography

Advanced

Kinetic modeling of coke formation during steam cracking

SANDRA WAUTERS and Guy Marin UGent (2002) INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH. 41(10). p.2379-2391
abstract
A kinetic model for coke formation during steam cracking based on elementary reactions between gas-phase components and the coke surface is described. Hydrogen abstraction by gas-phase radicals results in radical surface species which can add to gas-phase alkenes and alkynes. Cyclization and dehydrogenation leads to the incorporation of carbon atoms into the coke layer. The kinetics of the coke formation reactions are determined from those of corresponding gas-phase reactions provided that the presence of a solid phase is accounted for via a correction factor based on collision theory. The number of required kinetic parameters is substantially reduced by applying the structural contribution technique. Predicted trends and the most important reaction pathways are analyzed at conditions corresponding to ethane cracking with ethene, ethyne, propene, and propyne as coke precursors and H, CH3, C2H5, and C3H5 as gas-phase radicals. Abstraction of hydrogen atoms and the addition of radical surface species to alkenes have the largest effect on the coke formation rate.
Please use this url to cite or link to this publication:
author
organization
year
type
journalArticle (original)
publication status
published
subject
keyword
SURFACE, RADICALS, DEPOSITION, RELATIVE RATES, COMPUTER-GENERATION, SEMIEMPIRICAL METHODS, THERMAL-CRACKING, DENSITY-FUNCTIONAL THEORY, POLYCYCLIC AROMATIC-HYDROCARBONS, BOND-DISSOCIATION-ENERGIES
journal title
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
Ind. Eng. Chem. Res.
volume
41
issue
10
pages
2379 - 2391
Web of Science type
Article
Web of Science id
000175505800003
JCR category
ENGINEERING, CHEMICAL
JCR impact factor
1.247 (2002)
JCR rank
12/126 (2002)
JCR quartile
1 (2002)
ISSN
0888-5885
DOI
10.1021/ie010822k
language
English
UGent publication?
yes
classification
A1
id
161341
handle
http://hdl.handle.net/1854/LU-161341
date created
2004-01-14 13:39:00
date last changed
2017-03-09 12:39:15
@article{161341,
  abstract     = {A kinetic model for coke formation during steam cracking based on elementary reactions between gas-phase components and the coke surface is described. Hydrogen abstraction by gas-phase radicals results in radical surface species which can add to gas-phase alkenes and alkynes. Cyclization and dehydrogenation leads to the incorporation of carbon atoms into the coke layer. The kinetics of the coke formation reactions are determined from those of corresponding gas-phase reactions provided that the presence of a solid phase is accounted for via a correction factor based on collision theory. The number of required kinetic parameters is substantially reduced by applying the structural contribution technique. Predicted trends and the most important reaction pathways are analyzed at conditions corresponding to ethane cracking with ethene, ethyne, propene, and propyne as coke precursors and H, CH3, C2H5, and C3H5 as gas-phase radicals. Abstraction of hydrogen atoms and the addition of radical surface species to alkenes have the largest effect on the coke formation rate.},
  author       = {WAUTERS, SANDRA and Marin, Guy},
  issn         = {0888-5885},
  journal      = {INDUSTRIAL \& ENGINEERING CHEMISTRY RESEARCH},
  keyword      = {SURFACE,RADICALS,DEPOSITION,RELATIVE RATES,COMPUTER-GENERATION,SEMIEMPIRICAL METHODS,THERMAL-CRACKING,DENSITY-FUNCTIONAL THEORY,POLYCYCLIC AROMATIC-HYDROCARBONS,BOND-DISSOCIATION-ENERGIES},
  language     = {eng},
  number       = {10},
  pages        = {2379--2391},
  title        = {Kinetic modeling of coke formation during steam cracking},
  url          = {http://dx.doi.org/10.1021/ie010822k},
  volume       = {41},
  year         = {2002},
}

Chicago
WAUTERS, SANDRA, and Guy Marin. 2002. “Kinetic Modeling of Coke Formation During Steam Cracking.” Industrial & Engineering Chemistry Research 41 (10): 2379–2391.
APA
WAUTERS, S., & Marin, G. (2002). Kinetic modeling of coke formation during steam cracking. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 41(10), 2379–2391.
Vancouver
1.
WAUTERS S, Marin G. Kinetic modeling of coke formation during steam cracking. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH. 2002;41(10):2379–91.
MLA
WAUTERS, SANDRA, and Guy Marin. “Kinetic Modeling of Coke Formation During Steam Cracking.” INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH 41.10 (2002): 2379–2391. Print.