Laminar burning velocities of pyrrole/air flames : Experimental and comprehensive modeling study
(2022) In Combustion and Flame 245.- Abstract
Adiabatic laminar burning velocities for pyrrole/air flames were experimentally determined using the heat flux method, over equivalence ratios ranging from 0.6 to 1.3, at atmospheric pressure and initial temperature of 338 K. The detailed kinetic model of the authors was extended by the reactions of pyrrole and its intermediates based on previous theoretical studies and analogies to reactions of similar species. A comparison of new experimental and computational results using the present and the CRECK detailed chemical kinetic mechanisms was conducted and discussed. A modification of the rate constant of reaction C4H5N+OH[dbnd]H2O+PYRLYL was suggested that dramatically improved the present model... (More)
Adiabatic laminar burning velocities for pyrrole/air flames were experimentally determined using the heat flux method, over equivalence ratios ranging from 0.6 to 1.3, at atmospheric pressure and initial temperature of 338 K. The detailed kinetic model of the authors was extended by the reactions of pyrrole and its intermediates based on previous theoretical studies and analogies to reactions of similar species. A comparison of new experimental and computational results using the present and the CRECK detailed chemical kinetic mechanisms was conducted and discussed. A modification of the rate constant of reaction C4H5N+OH[dbnd]H2O+PYRLYL was suggested that dramatically improved the present model performance. The present and the CRECK models were then compared with other experimental targets available in the literature. Some discrepancies between experiments and model predictions and among models themselves were observed. Notwithstanding, the present model showed overall good performances in reproducing laminar burning velocities, speciation data in reactors, and ignition delay times in shock tubes. Sensitivity analyses were performed to delineate the importance of different reaction classes in pyrrole chemistry and to underline possible sources of the observed disagreements.
(Less)
- author
- Lubrano Lavadera, Marco LU ; Chen, Jundie LU and Konnov, Alexander A. LU
- organization
- publishing date
- 2022-11
- type
- Contribution to journal
- publication status
- published
- subject
- keywords
- Detailed kinetic mechanism, Fuel-NO, Heat flux method, Laminar burning velocity, Pyrrole
- in
- Combustion and Flame
- volume
- 245
- article number
- 112350
- publisher
- Elsevier
- external identifiers
-
- scopus:85137627831
- ISSN
- 0010-2180
- DOI
- 10.1016/j.combustflame.2022.112350
- language
- English
- LU publication?
- yes
- id
- 4e961ea7-b7ef-4254-bcec-78117bd571eb
- date added to LUP
- 2022-11-30 09:35:18
- date last changed
- 2023-11-19 07:32:12
@article{4e961ea7-b7ef-4254-bcec-78117bd571eb,
abstract = {{<p>Adiabatic laminar burning velocities for pyrrole/air flames were experimentally determined using the heat flux method, over equivalence ratios ranging from 0.6 to 1.3, at atmospheric pressure and initial temperature of 338 K. The detailed kinetic model of the authors was extended by the reactions of pyrrole and its intermediates based on previous theoretical studies and analogies to reactions of similar species. A comparison of new experimental and computational results using the present and the CRECK detailed chemical kinetic mechanisms was conducted and discussed. A modification of the rate constant of reaction C<sub>4</sub>H<sub>5</sub>N+OH[dbnd]H<sub>2</sub>O+PYRLYL was suggested that dramatically improved the present model performance. The present and the CRECK models were then compared with other experimental targets available in the literature. Some discrepancies between experiments and model predictions and among models themselves were observed. Notwithstanding, the present model showed overall good performances in reproducing laminar burning velocities, speciation data in reactors, and ignition delay times in shock tubes. Sensitivity analyses were performed to delineate the importance of different reaction classes in pyrrole chemistry and to underline possible sources of the observed disagreements.</p>}},
author = {{Lubrano Lavadera, Marco and Chen, Jundie and Konnov, Alexander A.}},
issn = {{0010-2180}},
keywords = {{Detailed kinetic mechanism; Fuel-NO; Heat flux method; Laminar burning velocity; Pyrrole}},
language = {{eng}},
publisher = {{Elsevier}},
series = {{Combustion and Flame}},
title = {{Laminar burning velocities of pyrrole/air flames : Experimental and comprehensive modeling study}},
url = {{http://dx.doi.org/10.1016/j.combustflame.2022.112350}},
doi = {{10.1016/j.combustflame.2022.112350}},
volume = {{245}},
year = {{2022}},
}