Experimental and Kinetic Modeling Study of Laminar Burning Velocities of Cyclopentanone and Its Binary Mixtures with Ethanol and n-Propanol
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 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. Here, 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 themore »
- Authors:
-
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
- Lund Univ. (Sweden)
- Univ. of Central Florida, Orlando, FL (United States)
- The Public Authority for Applied Education and Training, Shuwaikh (Kuwait)
- Publication Date:
- Research Org.:
- Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)
- Sponsoring Org.:
- USDOE Office of Energy Efficiency and Renewable Energy (EERE); Swedish Research Council (SRC)
- OSTI Identifier:
- 1762903
- Report Number(s):
- LLNL-JRNL-813061
Journal ID: ISSN 0887-0624; 1020926
- Grant/Contract Number:
- AC52-07NA27344; EE0007984; 2015-04042
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Energy and Fuels
- Additional Journal Information:
- Journal Volume: 34; Journal Issue: 9; Journal ID: ISSN 0887-0624
- Publisher:
- American Chemical Society (ACS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 09 BIOMASS FUELS; cyclopentanone; laminar burning velocity; ethanol; n-propanol; kinetic model
Citation Formats
Zhang, Kuiwen, Capriolo, Gianluca, Kim, Gihun, Almansour, Bader, Terracciano, Anthony C., Vasu, Subith S., Pitz, William J., and Konnov, Alexander A. Experimental and Kinetic Modeling Study of Laminar Burning Velocities of Cyclopentanone and Its Binary Mixtures with Ethanol and n-Propanol. United States: N. p., 2020.
Web. doi:10.1021/acs.energyfuels.0c01565.
Zhang, Kuiwen, Capriolo, Gianluca, Kim, Gihun, Almansour, Bader, Terracciano, Anthony C., Vasu, Subith S., Pitz, William J., & Konnov, Alexander A. Experimental and Kinetic Modeling Study of Laminar Burning Velocities of Cyclopentanone and Its Binary Mixtures with Ethanol and n-Propanol. United States. https://doi.org/10.1021/acs.energyfuels.0c01565
Zhang, Kuiwen, Capriolo, Gianluca, Kim, Gihun, Almansour, Bader, Terracciano, Anthony C., Vasu, Subith S., Pitz, William J., and Konnov, Alexander A. Wed .
"Experimental and Kinetic Modeling Study of Laminar Burning Velocities of Cyclopentanone and Its Binary Mixtures with Ethanol and n-Propanol". United States. https://doi.org/10.1021/acs.energyfuels.0c01565. https://www.osti.gov/servlets/purl/1762903.
@article{osti_1762903,
title = {Experimental and Kinetic Modeling Study of Laminar Burning Velocities of Cyclopentanone and Its Binary Mixtures with Ethanol and n-Propanol},
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.},
abstractNote = {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. Here, 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.},
doi = {10.1021/acs.energyfuels.0c01565},
journal = {Energy and Fuels},
number = 9,
volume = 34,
place = {United States},
year = {Wed Jul 29 00:00:00 EDT 2020},
month = {Wed Jul 29 00:00:00 EDT 2020}
}
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