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Detailed Modeling of PAH Profiles in a Sooting Low-Pressure Acetylene Flame
Abstract
A detailed modeling study of the formation of polycyclic aromatic hydrocarbons in a burner-stabilized low-pressure sooting 23.6 % C2 H2-21.4% 02-Ar flame of Bockhorn and co-workers is reported. The model predicts the correct orders of magnitude and relative appearances of the concentration peaks, but overstates the decline of the species concentrations in the post-flame zone. Imprecise knowledge of the thermochemical data and unknown details of the oxidation of hydrocarbon radicals are the reasons identifed for the latter. The main reaction pathways for cyclization and growth of polycyclic aromatics and the results of the sensitivity tests are in close agreement with those of the previous modeling study of acetylene oxidation under shock-tube conditions. An additional factor that is important in the. flame environment is the diffusion of hydrogen atoms from the main reaction zone into a cooler preflame region
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Cited by
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Wang, H. (2011) · Proceedings of the Combustion Institute · doi:10.1016/j.proci.2010.09.009 · Cited by 1,208
Richter, H., & Howard, J. B. (2002) · Physical Chemistry Chemical Physics · doi:10.1039/b110089k · Cited by 332
Poisoning and deactivation of palladium catalysts
Albers, P., Pietsch, J., & Parker, S. F. (2001) · Journal of Molecular Catalysis A: Chemical · doi:10.1016/s1381-1169(01)00154-6 · Cited by 323
Betowski, L. D., Enlow, M., Riddick, L., & Aue, D. H. (2006) · The Journal of Physical Chemistry A · doi:10.1021/jp065785v · Cited by 49
Metadata
- Authors
- FRENKLACH, M., & WARNATZ, J.
- Venue
- Combustion Science and Technology
- Publisher
- Informa UK Limited
- Published
- 1987-02
- Volume
- 51
- Issue
- 4-6
- Pages
- 265-283
- ISSN
- 0010-2202 (ISSN-L)
- 1563-521X
- OpenAlex
- W2001359264
- Cited by
- 429
- References
- 0
- FWCI
- 13.09
- Type
- journal article
- Language
- en
- Open access
- closed
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- CoChat. (2026). Citation check: Detailed Modeling of PAH Profiles in a Sooting Low-Pressure Acetylene Flame. https://app.cochat.ai/papers/10.1080/00102208708960325
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- FRENKLACH, M., & WARNATZ, J. (1987). Detailed Modeling of PAH Profiles in a Sooting Low-Pressure Acetylene Flame. Combustion Science and Technology. https://doi.org/10.1080/00102208708960325
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