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CFD modeling of pyrolysis oil combustion using finite rate chemistry

Fooladgar, Ehsan ; Brackmann, Christian LU ; Mannazhi, Manu LU ; Ögren, Yngve ; Bengtsson, Per Erik LU orcid ; Wiinikka, Henrik and Tóth, Pál (2021) In Fuel 299.
Abstract

This paper reports the first Computational Fluid Dynamics (CFD) model developed for biomass pyrolysis oil spray combustion using Finite-Rate Chemistry (FRC) approach. To make the CFD calculations feasible, a reduced mechanism for modeling the combustion of biomass Fast Pyrolysis Oil (FPO) based on the POLIMI 1412 mechanism and a model for eugenol oxidation was developed. The reduced mechanism consisted of 200 reactions and 71 species. This level of complexity was found to be a good tradeoff between predictive power and computational cost such that the reduced model could be used in CFD modeling. The predictive power of the reduced mechanism was demonstrated via 0D (adiabatic, premixed, constant pressure reactor), 1D (laminar counterflow... (More)

This paper reports the first Computational Fluid Dynamics (CFD) model developed for biomass pyrolysis oil spray combustion using Finite-Rate Chemistry (FRC) approach. To make the CFD calculations feasible, a reduced mechanism for modeling the combustion of biomass Fast Pyrolysis Oil (FPO) based on the POLIMI 1412 mechanism and a model for eugenol oxidation was developed. The reduced mechanism consisted of 200 reactions and 71 species. This level of complexity was found to be a good tradeoff between predictive power and computational cost such that the reduced model could be used in CFD modeling. The predictive power of the reduced mechanism was demonstrated via 0D (adiabatic, premixed, constant pressure reactor), 1D (laminar counterflow flame) and 3D (CFD of a methane-air flat-flame piloted FPO spray flame) calculations. Results from CFD were compared against experimental data from non-intrusive optical diagnostics. The reduced model was successfully used in CFD calculations—the computational cost was approximately 2 orders of magnitude higher than that of a simplified model. Using the reduced mechanism, the concentration of pollutants, minor combustion products, and flame radicals could be predicted—this is added capability compared to already existing models. The CFD model using the reduced mechanism showed quantitative predictive power for major combustion products, flame temperature, some pollutants and temperature, and qualitative predictive power for flame radicals and soot.

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author
; ; ; ; ; and
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
Biomass, Chemical kinetics, Computational Fluid Dynamics, Fast Pyrolysis Oil, Finite-Rate Chemistry, Laser diagnostics, Spray combustion
in
Fuel
volume
299
article number
120856
publisher
Elsevier
external identifiers
  • scopus:85105060454
ISSN
0016-2361
DOI
10.1016/j.fuel.2021.120856
language
English
LU publication?
yes
id
cc796e25-3ec1-41da-8fed-9ad69cbcb48c
date added to LUP
2021-05-25 15:26:48
date last changed
2022-04-27 02:03:29
@article{cc796e25-3ec1-41da-8fed-9ad69cbcb48c,
  abstract     = {{<p>This paper reports the first Computational Fluid Dynamics (CFD) model developed for biomass pyrolysis oil spray combustion using Finite-Rate Chemistry (FRC) approach. To make the CFD calculations feasible, a reduced mechanism for modeling the combustion of biomass Fast Pyrolysis Oil (FPO) based on the POLIMI 1412 mechanism and a model for eugenol oxidation was developed. The reduced mechanism consisted of 200 reactions and 71 species. This level of complexity was found to be a good tradeoff between predictive power and computational cost such that the reduced model could be used in CFD modeling. The predictive power of the reduced mechanism was demonstrated via 0D (adiabatic, premixed, constant pressure reactor), 1D (laminar counterflow flame) and 3D (CFD of a methane-air flat-flame piloted FPO spray flame) calculations. Results from CFD were compared against experimental data from non-intrusive optical diagnostics. The reduced model was successfully used in CFD calculations—the computational cost was approximately 2 orders of magnitude higher than that of a simplified model. Using the reduced mechanism, the concentration of pollutants, minor combustion products, and flame radicals could be predicted—this is added capability compared to already existing models. The CFD model using the reduced mechanism showed quantitative predictive power for major combustion products, flame temperature, some pollutants and temperature, and qualitative predictive power for flame radicals and soot.</p>}},
  author       = {{Fooladgar, Ehsan and Brackmann, Christian and Mannazhi, Manu and Ögren, Yngve and Bengtsson, Per Erik and Wiinikka, Henrik and Tóth, Pál}},
  issn         = {{0016-2361}},
  keywords     = {{Biomass; Chemical kinetics; Computational Fluid Dynamics; Fast Pyrolysis Oil; Finite-Rate Chemistry; Laser diagnostics; Spray combustion}},
  language     = {{eng}},
  month        = {{09}},
  publisher    = {{Elsevier}},
  series       = {{Fuel}},
  title        = {{CFD modeling of pyrolysis oil combustion using finite rate chemistry}},
  url          = {{http://dx.doi.org/10.1016/j.fuel.2021.120856}},
  doi          = {{10.1016/j.fuel.2021.120856}},
  volume       = {{299}},
  year         = {{2021}},
}