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An experimental, theoretical, and modeling study of the ignition behavior of cyclopentanone

Journal Article · · Proceedings of the Combustion Institute
 [1];  [2];  [3];  [4];  [4];  [2];  [3];  [5]
  1. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); University of Central Florida
  2. National Univ. of Ireland, Galway (Ireland)
  3. Univ. of Central Florida, Orlando, FL (United States)
  4. Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
  5. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
+ Show Author Affiliations
The ignition delay times of cyclopentanone in air were measured using a high pressure shock tube (HPST) and a rapid compression machine (RCM) over the temperature range of 794–1368 K at P = 15 and 30 bar and at equivalence ratios of 0.5, 1.0 and 2.0. To provide more insight into the oxidation of cyclopentanone, CO time-histories during cyclopentanone oxidation in a shock tube at high temperatures and various pressures were also measured. In addition, quantum chemistry calculations have been performed to calculate the reaction rates for the olefin +HO2 elimination reactions of fuel peroxyl radical decomposition reactions, which were suggested as critical reaction pathways for the oxidation of cyclopentanone in previous studies. Based on these experimental and theoretical investigations, a detailed kinetic model has been developed and validated using the experimental data. Here, the model has satisfactorily reproduced the ignition delay times in the RCM and shock tube, and CO histories in the shock tube over the wide range of temperature, pressure and equivalence ratio. Rate of production and sensitivity analyses were performed to determine the important reaction pathways and critical reactions that affect the predicted reactivity of cyclopentanone at the condition investigated.
Research Organization:
Univ. of Central Florida, Orlando, FL (United States)
Sponsoring Organization:
USDOE; USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Bioenergy Technologies Office
Grant/Contract Number:
AC52-07NA27344; EE0007982
OSTI ID:
1763713
Alternate ID(s):
OSTI ID: 1703020
Journal Information:
Proceedings of the Combustion Institute, Journal Name: Proceedings of the Combustion Institute Journal Issue: 1 Vol. 37; ISSN 1540-7489
Publisher:
ElsevierCopyright Statement
Country of Publication:
United States
Language:
English

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Cited By (1)

Measuring the effectiveness of high-performance Co-Optima biofuels on suppressing soot formation at high temperature journal February 2020

Figures / Tables (7)

Fig. 1(p. 7)figure Fig. 1
Fig. 2(p. 8)figure Fig. 2
Table 1(p. 9)table Table 1
Fig. 3(p. 11)figure Fig. 3
Fig. 4(p. 13)figure Fig. 4
Fig. 5(p. 15)figure Fig. 5
Fig. 6(p. 16)figure Fig. 6

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Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Ab initio calculation
CO time-history
Cyclopentanone
Detailed kinetic model
Ignition delay