Experimental and Kinetic Modeling Study of Laminar Burning Velocities of Cyclopentanone and Its Binary Mixtures with Ethanol and n-Propanol
(2020) In Energy and Fuels 34(9). p.11408-11416- Abstract
Cyclopentanone is a promising biofuel that can enable more efficient engine operation and increase the fuel economy of the light duty fleet over current and planned technology developments. While the ignition of cyclopentanone has been investigated in detail, more studies on the laminar burning velocities of cyclopentanone are called for. In this work, the laminar burning velocities of cyclopentanone (C5H8O) have been measured using the heat flux and spherical flame methods at 1 atm, equivalence ratios from 0.7 to 1.6, and initial temperatures of 328, 353, and 428 K. To further investigate the relationship between the molecular structure and laminar burning velocity, identical experiments were also performed for binary mixtures of... (More)
Cyclopentanone is a promising biofuel that can enable more efficient engine operation and increase the fuel economy of the light duty fleet over current and planned technology developments. While the ignition of cyclopentanone has been investigated in detail, more studies on the laminar burning velocities of cyclopentanone are called for. In this work, the laminar burning velocities of cyclopentanone (C5H8O) have been measured using the heat flux and spherical flame methods at 1 atm, equivalence ratios from 0.7 to 1.6, and initial temperatures of 328, 353, and 428 K. To further investigate the relationship between the molecular structure and laminar burning velocity, identical experiments were also performed for binary mixtures of cyclopentanone with ethanol and n-propanol at 1:1 (mol). The consistency between the experimental data sets obtained in this work and literature data sets has been evaluated. A recently published mechanism of cyclopentanone was used for simulation after adopting the submechanism of n-propanol. Good agreement has been seen between experimental and simulated results for all flames. To qualitatively explain the characteristics of the laminar burning velocity of cyclopentanone and the differences with those of ethanol and n-propanol, sensitivity analysis and reaction pathway analysis have been performed to compare the chemistry of the fuels under flame conditions, which revealed how the molecular structure of cyclopentanone could affect its laminar burning velocity. Compared to ethanol and n-propanol, cyclopentanone does not have primary carbon atoms in its molecule, leading to lower production of methyl radicals. Meanwhile, the carbonyl group in the cyclopentanone molecule is mostly released as CO in the decomposition of multiple intermediates accompanied by the production of unsaturated C2 and C4 species, especially C2H4 and C2H3. Both features contribute to the high laminar burning velocity of cyclopentanone.
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- author
- Zhang, Kuiwen ; Capriolo, Gianluca LU ; Kim, Gihun ; Almansour, Bader ; Terracciano, Anthony C. ; Vasu, Subith S. ; Pitz, William J. and Konnov, Alexander A. LU
- organization
- publishing date
- 2020-09-17
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Energy and Fuels
- volume
- 34
- issue
- 9
- pages
- 9 pages
- publisher
- The American Chemical Society (ACS)
- external identifiers
-
- scopus:85095407650
- ISSN
- 0887-0624
- DOI
- 10.1021/acs.energyfuels.0c01565
- language
- English
- LU publication?
- yes
- id
- 57f953d0-9416-4506-984d-32240d8abcb1
- date added to LUP
- 2020-11-17 10:59:04
- date last changed
- 2022-04-26 21:54:34
@article{57f953d0-9416-4506-984d-32240d8abcb1,
abstract = {{<p>Cyclopentanone is a promising biofuel that can enable more efficient engine operation and increase the fuel economy of the light duty fleet over current and planned technology developments. While the ignition of cyclopentanone has been investigated in detail, more studies on the laminar burning velocities of cyclopentanone are called for. In this work, the laminar burning velocities of cyclopentanone (C5H8O) have been measured using the heat flux and spherical flame methods at 1 atm, equivalence ratios from 0.7 to 1.6, and initial temperatures of 328, 353, and 428 K. To further investigate the relationship between the molecular structure and laminar burning velocity, identical experiments were also performed for binary mixtures of cyclopentanone with ethanol and n-propanol at 1:1 (mol). The consistency between the experimental data sets obtained in this work and literature data sets has been evaluated. A recently published mechanism of cyclopentanone was used for simulation after adopting the submechanism of n-propanol. Good agreement has been seen between experimental and simulated results for all flames. To qualitatively explain the characteristics of the laminar burning velocity of cyclopentanone and the differences with those of ethanol and n-propanol, sensitivity analysis and reaction pathway analysis have been performed to compare the chemistry of the fuels under flame conditions, which revealed how the molecular structure of cyclopentanone could affect its laminar burning velocity. Compared to ethanol and n-propanol, cyclopentanone does not have primary carbon atoms in its molecule, leading to lower production of methyl radicals. Meanwhile, the carbonyl group in the cyclopentanone molecule is mostly released as CO in the decomposition of multiple intermediates accompanied by the production of unsaturated C2 and C4 species, especially C2H4 and C2H3. Both features contribute to the high laminar burning velocity of cyclopentanone. </p>}},
author = {{Zhang, Kuiwen and Capriolo, Gianluca and Kim, Gihun and Almansour, Bader and Terracciano, Anthony C. and Vasu, Subith S. and Pitz, William J. and Konnov, Alexander A.}},
issn = {{0887-0624}},
language = {{eng}},
month = {{09}},
number = {{9}},
pages = {{11408--11416}},
publisher = {{The American Chemical Society (ACS)}},
series = {{Energy and Fuels}},
title = {{Experimental and Kinetic Modeling Study of Laminar Burning Velocities of Cyclopentanone and Its Binary Mixtures with Ethanol and n-Propanol}},
url = {{http://dx.doi.org/10.1021/acs.energyfuels.0c01565}},
doi = {{10.1021/acs.energyfuels.0c01565}},
volume = {{34}},
year = {{2020}},
}