Measurements of laminar burning velocities and kinetic modelling of two symmetrical ketones : di-ethyl ketone and di-isopropyl ketone
(2024) In Combustion and Flame 268.- Abstract
Laminar burning velocities (SL) of di-ethyl ketone (DEK) + air and di-isopropyl ketone (DIPK) + air mixtures were measured using the heat flux method at 305-358 K and equivalence ratios of 0.7–1.4 under atmospheric pressure. Data inconsistency was found between the present SL of di-ethyl ketone + air mixtures and those reported in the literature. Moreover, existing DEK and DIPK combustion kinetic models notably deviate from the present SL measurements. Therefore, a new kinetic model for DEK and DIPK combustion was proposed, in which the base mechanism is NUIG 1.1 and the DEK and DIPK sub-model was adapted from our previous works. The present model captures present SL data well, the temperature... (More)
Laminar burning velocities (SL) of di-ethyl ketone (DEK) + air and di-isopropyl ketone (DIPK) + air mixtures were measured using the heat flux method at 305-358 K and equivalence ratios of 0.7–1.4 under atmospheric pressure. Data inconsistency was found between the present SL of di-ethyl ketone + air mixtures and those reported in the literature. Moreover, existing DEK and DIPK combustion kinetic models notably deviate from the present SL measurements. Therefore, a new kinetic model for DEK and DIPK combustion was proposed, in which the base mechanism is NUIG 1.1 and the DEK and DIPK sub-model was adapted from our previous works. The present model captures present SL data well, the temperature dependence factors α of SL with the equivalence ratio were compared against available studies and kinetic model calculations, and the present measurements agree with the model predictions. The present mechanism was then validated by comparing with the SL data, ignition delay times, and species profiles of DEK oxidation and DIPK pyrolysis reported in the literature. From the model analysis, it was shown that the absence/significant weakening of the C2H4→CH2→2 H pathway is the main reason for the underestimation of SL by the existing DEK models. Updating of the rate constants of DIPK radicals isomerization and decomposition reactions yields more reasonable product branching ratios, thus not only improving the DIPK SL predictions but also the species profile predictions. DEK flames propagate faster than that of DIPK, since the main oxidation intermediate of DEK (C2H4) has higher reactivity than that of DIPK (C3H6). Novelty and significance statement DEK and DIPK are representative symmetrical ketones and promising biofuel candidates. A large amount of ignition delay time and speciation data of DEK and DIPK combustion have been reported. However, the SL measurements are rather limited and their temperature dependences have not been investigated. In this work, new SL measurements were reported covering wide ranges of initial mixture temperatures and equivalence ratios. The consistency of the present SL results and earlier data from the literature was evaluated and the need for kinetic model improvement was demonstrated. A uniform kinetic model for DEK and DIPK combustion was proposed and the reactivity of DEK and DIPK was compared and analyzed.
(Less)
- author
- Lin, Qianjin LU ; Chen, Jundie LU ; Hu, Xianzhong LU ; Zou, Chun and Konnov, Alexander A. LU
- organization
- publishing date
- 2024-10
- type
- Contribution to journal
- publication status
- published
- subject
- keywords
- Burning velocity, Di-ethyl ketone, Di-isopropyl ketone, Heat flux method, Kinetic model
- in
- Combustion and Flame
- volume
- 268
- article number
- 113614
- publisher
- Elsevier
- external identifiers
-
- scopus:85199254146
- ISSN
- 0010-2180
- DOI
- 10.1016/j.combustflame.2024.113614
- language
- English
- LU publication?
- yes
- id
- 2abafa69-6ea0-441a-bc45-f75f3c2d6f8a
- date added to LUP
- 2024-09-03 13:32:29
- date last changed
- 2024-09-10 08:09:03
@article{2abafa69-6ea0-441a-bc45-f75f3c2d6f8a,
abstract = {{<p>Laminar burning velocities (S<sub>L</sub>) of di-ethyl ketone (DEK) + air and di-isopropyl ketone (DIPK) + air mixtures were measured using the heat flux method at 305-358 K and equivalence ratios of 0.7–1.4 under atmospheric pressure. Data inconsistency was found between the present S<sub>L</sub> of di-ethyl ketone + air mixtures and those reported in the literature. Moreover, existing DEK and DIPK combustion kinetic models notably deviate from the present S<sub>L</sub> measurements. Therefore, a new kinetic model for DEK and DIPK combustion was proposed, in which the base mechanism is NUIG 1.1 and the DEK and DIPK sub-model was adapted from our previous works. The present model captures present S<sub>L</sub> data well, the temperature dependence factors α of S<sub>L</sub> with the equivalence ratio were compared against available studies and kinetic model calculations, and the present measurements agree with the model predictions. The present mechanism was then validated by comparing with the S<sub>L</sub> data, ignition delay times, and species profiles of DEK oxidation and DIPK pyrolysis reported in the literature. From the model analysis, it was shown that the absence/significant weakening of the C<sub>2</sub>H<sub>4</sub>→CH<sub>2</sub>→2 H pathway is the main reason for the underestimation of S<sub>L</sub> by the existing DEK models. Updating of the rate constants of DIPK radicals isomerization and decomposition reactions yields more reasonable product branching ratios, thus not only improving the DIPK S<sub>L</sub> predictions but also the species profile predictions. DEK flames propagate faster than that of DIPK, since the main oxidation intermediate of DEK (C<sub>2</sub>H<sub>4</sub>) has higher reactivity than that of DIPK (C<sub>3</sub>H<sub>6</sub>). Novelty and significance statement DEK and DIPK are representative symmetrical ketones and promising biofuel candidates. A large amount of ignition delay time and speciation data of DEK and DIPK combustion have been reported. However, the S<sub>L</sub> measurements are rather limited and their temperature dependences have not been investigated. In this work, new S<sub>L</sub> measurements were reported covering wide ranges of initial mixture temperatures and equivalence ratios. The consistency of the present S<sub>L</sub> results and earlier data from the literature was evaluated and the need for kinetic model improvement was demonstrated. A uniform kinetic model for DEK and DIPK combustion was proposed and the reactivity of DEK and DIPK was compared and analyzed.</p>}},
author = {{Lin, Qianjin and Chen, Jundie and Hu, Xianzhong and Zou, Chun and Konnov, Alexander A.}},
issn = {{0010-2180}},
keywords = {{Burning velocity; Di-ethyl ketone; Di-isopropyl ketone; Heat flux method; Kinetic model}},
language = {{eng}},
publisher = {{Elsevier}},
series = {{Combustion and Flame}},
title = {{Measurements of laminar burning velocities and kinetic modelling of two symmetrical ketones : di-ethyl ketone and di-isopropyl ketone}},
url = {{http://dx.doi.org/10.1016/j.combustflame.2024.113614}},
doi = {{10.1016/j.combustflame.2024.113614}},
volume = {{268}},
year = {{2024}},
}