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Numerical study of the transition between slow reaction and ignition in a cylindrical vessel

Melguizo-Gavilanes, J. and Boettcher, P. A. and Mével, R. and Shepherd, J. E. (2019) Numerical study of the transition between slow reaction and ignition in a cylindrical vessel. Combustion and Flame, 204 . pp. 116-136. ISSN 0010-2180.

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A numerical study of a transiently (uniformly/non-uniformly) heated cylindrical reactor was performed using a computationally inexpensive one-step model capable of capturing the experimentally observed transition behavior from slow to fast reaction. The methodology used to find the kinetic parameters of the simplified model was described in detail. A parametric study using a control volume (0-D) thermal ignition model provided transition maps due to changes in heating rate, initial pressure and composition. Two-dimensional reactive Navier-Stokes equations were used to examine the fluid mechanics and chemical reaction leading to slow or fast consumption of the mixture. During uniform heating, a dynamic buoyancy flow is induced in which the mixture rises along the walls and turns at the centerline creating two well defined vortical structures. Once significant chemical heat release is generated, the flow reverses. During non-uniform heating, the flow field is composed of two large vortices in the center of the vessel, and two sets of smaller vortices trapped at the top and bottom of the reactor. Depending on the heating rate, and irrespective of the mode of heating, the mixture undergoes either slow oxidation or ignition whereby a flame that propagates from the top of the vessel consumes the mixture.

Item Type:Article
Related URLs:
URLURL TypeDescription
Melguizo-Gavilanes, J.0000-0001-5174-6003
Mével, R.0000-0002-0032-350X
Shepherd, J. E.0000-0003-3181-9310
Additional Information:© 2019 The Combustion Institute. Published by Elsevier Inc. Received 16 May 2018, Revised 12 October 2018, Accepted 21 December 2018, Available online 19 March 2019. The simulations shown and writing of this manuscript were carried out while JM-G was supported by the Natural Sciences and Engineering Research Council of Canada (NSERC) Postdoctoral Fellowship Program. RM was supported by a start-up package from the Center of Combustion and Energy and Tsinghua University and the 1000 Talents of China plan. This work used the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by the National Science Foundation grant number ACI-1548562.
Funding AgencyGrant Number
Natural Sciences and Engineering Research Council of Canada (NSERC)UNSPECIFIED
Center of Combustion and EnergyUNSPECIFIED
Tsinghua UniversityUNSPECIFIED
1000 Young Talents ProgramUNSPECIFIED
Subject Keywords:Low temperature ignition; Transition slow-fast reaction; Industrial safety; Simplified chemical kinetics model
Record Number:CaltechAUTHORS:20190320-073756446
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Official Citation:J. Melguizo-Gavilanes, P.A. Boettcher, R. Mével, J.E. Shepherd, Numerical study of the transition between slow reaction and ignition in a cylindrical vessel, Combustion and Flame, Volume 204, 2019, Pages 116-136, ISSN 0010-2180, (
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:93976
Deposited By: Tony Diaz
Deposited On:20 Mar 2019 15:42
Last Modified:24 Aug 2020 17:43

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