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A multi-zone chemistry mapping approach for direct numerical simulation of auto-ignition and flame propagation in a constant volume enclosure

Jangi, Mehdi LU ; Yu, Rixin LU and Bai, Xue-Song LU (2012) In Combustion Theory and Modelling 16(2). p.221-249
Abstract
A direct numerical simulation (DNS) coupling with multi-zone chemistry mapping (MZCM) is presented to simulate flame propagation and auto-ignition in premixed fuel/air mixtures. In the MZCM approach, the physical domain is mapped into a low-dimensional phase domain with a few thermodynamic variables as the independent variables. The approach is based on the fractional step method, in which the flow and transport are solved in the flow time steps whereas the integration of the chemical reaction rates and heat release rate is performed in much finer time steps to accommodate the small time scales in the chemical reactions. It is shown that for premixed mixtures, two independent variables can be sufficient to construct the phase space to... (More)
A direct numerical simulation (DNS) coupling with multi-zone chemistry mapping (MZCM) is presented to simulate flame propagation and auto-ignition in premixed fuel/air mixtures. In the MZCM approach, the physical domain is mapped into a low-dimensional phase domain with a few thermodynamic variables as the independent variables. The approach is based on the fractional step method, in which the flow and transport are solved in the flow time steps whereas the integration of the chemical reaction rates and heat release rate is performed in much finer time steps to accommodate the small time scales in the chemical reactions. It is shown that for premixed mixtures, two independent variables can be sufficient to construct the phase space to achieve a satisfactory mapping. The two variables can be the temperature of the mixture and the specific element mass ratio of H atom for fuels containing hydrogen atoms. An aliasing error in the MZCM is investigated. It is shown that if the element mass ratio is based on the element involved in the most diffusive molecules, the aliasing error of the model can approach zero when the grid in the phase space is refined. The results of DNS coupled with MZCM (DNS-MZCM) are compared with full DNS that integrates the chemical reaction rates and heat release rate directly in physical space. Application of the MZCM to different mixtures of fuel and air is presented to demonstrate the performance of the method for combustion processes with different complexity in the chemical kinetics, transport and flame-turbulence interaction. Good agreement between the results from DNS and DNS-MZCM is obtained for different fuel/air mixtures, including H-2/air, CO/H-2/air and methane/air, while the computational time is reduced by nearly 70%. It is shown that the MZCM model can properly address important phenomena such as differential diffusion, local extinction and re-ignition in premixed combustion. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
differential diffusion, auto-ignition, flame, premixed, multi-zone chemistry mapping, direct numerical simulation
in
Combustion Theory and Modelling
volume
16
issue
2
pages
221 - 249
publisher
Taylor & Francis
external identifiers
  • wos:000301715700002
  • scopus:84858600846
ISSN
1364-7830
DOI
10.1080/13647830.2011.608858
language
English
LU publication?
yes
id
c309eb56-660e-4328-85bb-e36b8ad43aca (old id 2515326)
date added to LUP
2012-05-15 15:25:23
date last changed
2017-09-03 03:02:40
@article{c309eb56-660e-4328-85bb-e36b8ad43aca,
  abstract     = {A direct numerical simulation (DNS) coupling with multi-zone chemistry mapping (MZCM) is presented to simulate flame propagation and auto-ignition in premixed fuel/air mixtures. In the MZCM approach, the physical domain is mapped into a low-dimensional phase domain with a few thermodynamic variables as the independent variables. The approach is based on the fractional step method, in which the flow and transport are solved in the flow time steps whereas the integration of the chemical reaction rates and heat release rate is performed in much finer time steps to accommodate the small time scales in the chemical reactions. It is shown that for premixed mixtures, two independent variables can be sufficient to construct the phase space to achieve a satisfactory mapping. The two variables can be the temperature of the mixture and the specific element mass ratio of H atom for fuels containing hydrogen atoms. An aliasing error in the MZCM is investigated. It is shown that if the element mass ratio is based on the element involved in the most diffusive molecules, the aliasing error of the model can approach zero when the grid in the phase space is refined. The results of DNS coupled with MZCM (DNS-MZCM) are compared with full DNS that integrates the chemical reaction rates and heat release rate directly in physical space. Application of the MZCM to different mixtures of fuel and air is presented to demonstrate the performance of the method for combustion processes with different complexity in the chemical kinetics, transport and flame-turbulence interaction. Good agreement between the results from DNS and DNS-MZCM is obtained for different fuel/air mixtures, including H-2/air, CO/H-2/air and methane/air, while the computational time is reduced by nearly 70%. It is shown that the MZCM model can properly address important phenomena such as differential diffusion, local extinction and re-ignition in premixed combustion.},
  author       = {Jangi, Mehdi and Yu, Rixin and Bai, Xue-Song},
  issn         = {1364-7830},
  keyword      = {differential diffusion,auto-ignition,flame,premixed,multi-zone chemistry mapping,direct numerical simulation},
  language     = {eng},
  number       = {2},
  pages        = {221--249},
  publisher    = {Taylor & Francis},
  series       = {Combustion Theory and Modelling},
  title        = {A multi-zone chemistry mapping approach for direct numerical simulation of auto-ignition and flame propagation in a constant volume enclosure},
  url          = {http://dx.doi.org/10.1080/13647830.2011.608858},
  volume       = {16},
  year         = {2012},
}