Kinetic modeling of coke formation during steam cracking

Industrial and Engineering Chemistry Research

Volumn 41, Issue 10, 2002, Pages 2379-2391

  Wauters, S ^a,b   Marin, G B ^a  

^a GHENT UNIVERSITY   (Belgium)

^b BASF Belgium SA   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

CRACK INITIATION; DEHYDROGENATION; OLEFINS;

CYCLIZATION;

COKE;

ACETYLENE; ALKENE; ALKYNE; COKE; ETHANE; ETHYLENE; HYDROGEN; PROPYLENE;

COKE; CRACKING; KINETICS; MATHEMATICAL MODELING; STEAM;

ARTICLE; CHEMICAL REACTION; CYCLIZATION; GAS; HYDROGENATION; KINETICS; MODEL; SOLID STATE; WATER VAPOR;

EID: 0037093125     PISSN: 08885885     EISSN: None     Source Type: Journal    
DOI: 10.1021/ie010822k     Document Type: Article

References (63)

1. Coke formation in the thermal cracking of hydrocarbons
2. Filamentous Carbon
3. A physical and chemical examination of an ethene steam cracker coke and of the underlying pyrolysis tube
4. Influence of metal surface and sulfur addition on coke deposition in the thermal cracking of hydrocarbons
5. Coke formation in the thermal cracking of hydrocarbons. 4 Modeling of coke formation in naphtha cracking
6. Kinetics of coke deposition in the thermal cracking of propane
7. Coke deposition in the thermal cracking of ethane
8. Coke formation in the pyrolysis of n-hexane
9. Formation of pyrolytic carbon during the pyrolysis of ethane at high conversions
10. The kinetics of the low-pressure chemical vapor deposition of polycrystalline silicon from silane
11. Microstructure evolution in diamond CVD: Computer simulations of 111 surface site formation on a growing diamond-100 surface
12. On surface growth mechanism of soot particles
13. Computer generation of reaction paths and rate equations in the thermal cracking of normal and branched paraffins
14. Modeling of the kinetics of complex processes based upon elementary steps
15. Kinetic modeling of the thermal cracking of hydrocarbons. 1. Calculation of frequency factors
16. Kinetic modeling of the thermal cracking of hydrocarbons. 2. Calculation of activation energies
17. Detailed surface and gas-phase chemical kinetics of diamond deposition
18. Use of quantum mechanical models in studies of reaction mechanisms
19. Unified approach for molecular dynamics and density-functional theory
20. Density functional theory, calculations of potential energy surfaces and reaction paths
21. Evaluation of transition state properties by density functional theory
22. Brønsted acid site models for zeolites: A comparative density functional, Hartree-Fock and semi-empirical molecular orbital study
23. Special Issue MOPAC - A semiempirical molecular-orbital program
24. Optimization of parameters for semi-empirical methods. 2. Application
25. Semiempirical quantum chemical methods: Testing of physicochemical properties of acyclic and aromatic compounds
26. MORATE - A program for direct dynamics calculation of chemical reaction rates by semiempirical molecular orbital theory
27. Estimating molecular collision diameters using computational methods
28. Calculation of the activation energy of chemical reactions on the basis of the additivity principle
29. Tendencies of aromatization in steam cracking of hydrocarbons
30. Comment on quantum transition state theory
31. Relationships between the kinetic parameters of decomposition rates of radicals in the thermal cracking of paraffins
32. A topological method for determining the external symmetry number of molecules
33. Simulation of surface reactions
34. Coke formation during pyrolysis: Roles of residence time, reactor geometry, and time of operation
35. Reversibility of homolytic aromatic substitution: The reaction of p-xylene with phenyl radicals
36. Thermally induced cyclodehydrogenation of biaryls: A simple radical reaction or a sequence of rearrangements?
37. 2-elimination
38. Relative rates of coke formation from hydrocarbons in steam cracking of naphtha. 2. Paraffins, naphthenes, monoolefins, diolefins and cycloolefins, acetylenes
39. Relative rates of coke formation from hydrocarbons in steam cracking of naphtha. 3. Aromatic hydrocarbons
40. Computer generation of a network of elementary steps for coke formation during the thermal cracking of hydrocarbons
41. Extension of semiempirical methods to simulation of surfaces
42. The C-H bond dissociation energies of polycyclic aromatic hydrocarbons
43. Reactivity of polycyclic aromatic aryl radicals
44. Prediction of carbon-hydrogen bond dissociation energies for polycyclic aromatic hydrocarbons of arbitrary size
45. Enthalpies of formation of benzenoid aromatic molecules and radicals
46. Energetics and site specificity of the homolytic C-H bond cleavage in benzenoid hydrocarbons: An ab initio electronic structure study
47. Hydrocarbon bond dissociation energies
48. High-temperature reactions of CH3. 2. H-abstraction from alkanes
49. Thermolysis of Model compounds for coal. 3. Radical chain decomposition of 1,3-diphenylpropane and 1,4-diphenylbutane
50. A shock tube investigation of major pathways in the high-temperature pyrolysis of benzene
51. Rate constants for abstraction of hydrogen from benzene, toluene, and cyclopentane by methyl and ethyl radicals over the temperature range 650-770 K
52. Evaluated kinetic data for combusion modelling. Supplement I
53. Mechanism and rate of hydrogen atom attack on toluene at high temperature
54. Cyclic alkyl radical isomerisation: A correction to the literature
55. Ab initio study of radical reactions: Cyclization pathways for the butylbenzene radical (II)