Title: 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 » 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.« less

Authors:

Zhang, Kuiwen  ^[1];

• Search DOE PAGES for author "Zhang, Kuiwen"
• Search DOE PAGES for ORCID "0000-0002-2460-2036"

Capriolo, Gianluca ^[2]; Kim, Gihun ^[3]; Almansour, Bader ^[4]; Terracciano, Anthony C. ^[3]; Vasu, Subith S.  ^[3];

• Search DOE PAGES for author "Vasu, Subith S."
• Search DOE PAGES for ORCID "0000-0002-4164-3163"

Pitz, William J.  ^[1];

• Search DOE PAGES for author "Pitz, William J."
• Search DOE PAGES for ORCID "0000-0003-4238-4500"

Konnov, Alexander A.  ^[2]

• Search DOE PAGES for author "Konnov, Alexander A."
• Search DOE PAGES for ORCID "0000-0002-8287-1592"

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+ Show Author Affiliations

1. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
2. Lund Univ. (Sweden)
3. Univ. of Central Florida, Orlando, FL (United States)
4. The Public Authority for Applied Education and Training, Shuwaikh (Kuwait)

Publication Date:

Wed Jul 29 00:00:00 EDT 2020

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