Modeling of Metal Particle Combustion : Detailed Numerical Studies of Micron-sized Iron and Aluminum Particles
(2025)- Abstract
- Metal fuels can be promising candidates as alternative energy sources and renewable energy carriers within the metal-fuel cycle. They feature high energy density, low environmental impact, and broad production and application. One challenge in metal particle combustion lies in its multi-physics complexity compared to traditional hydrocarbon fuels. This thesis intends to investigate the combustion physics of a single Iron (Fe) or Aluminum (Al) particle with currently available and self-designed modeling tools.
One novelty of this thesis is the construction of a generalized single metal particle combustion scheme, including sub-stages of solid-phase oxidation, melting, liquid-phase oxidation, evaporation, gas-phase oxidation, and... (More) - Metal fuels can be promising candidates as alternative energy sources and renewable energy carriers within the metal-fuel cycle. They feature high energy density, low environmental impact, and broad production and application. One challenge in metal particle combustion lies in its multi-physics complexity compared to traditional hydrocarbon fuels. This thesis intends to investigate the combustion physics of a single Iron (Fe) or Aluminum (Al) particle with currently available and self-designed modeling tools.
One novelty of this thesis is the construction of a generalized single metal particle combustion scheme, including sub-stages of solid-phase oxidation, melting, liquid-phase oxidation, evaporation, gas-phase oxidation, and solidification/condensation. Relevant reactants and products are identified for each sub-stage, and the kinetic rate is quantified. The constructed combustion scheme can characterize the vapor phase reaction dominated Al combustion and the heterogeneous surface reaction dominated Fe combustion.
Another novelty is the proposal of two models based on the OpenFOAM-7 platform: the metal “Point particle model” within the Lagrangian-Eulerian framework and the “Boundary layer resolved model” within the Eulerian framework, from different aspects of the above-generalized combustion scheme. The metal “Point particle model” intends to capture the whole combustion process of single Fe / Al particles. For Fe modeling, the predicted temperature evolution of a single Fe particle shows a similar trend to the experimental radiant intensity curve. The proposed conjecture of “super-cooled solidification” explains the experimentally observed radiant intensity jump. For Al, a “Melt-ejection-Model”(MEM) is proposed to explain the observed pre-ignition phenomenon. The simulated Ignition Delay Time (IDT) statistically correlates well with experimental data. The detailed flame structure of a micron-sized Al droplet in hot steam-dominated environments is simulated with the “Boundary layer resolved model”. Good agreement with experiment data is observed in the flame temperature for all the droplet sizes, and in the flame stand-off ratio and the Stefan flow velocity for the small droplet size group. Lastly, this thesis provides the first comprehensive review and analysis of Al / O2 / H2O gas-phase combustion kinetics in a “real-case” droplet combustion simulation based on the “Boundary layer resolved model”.
It is hoped that this thesis can provide new foundational insights as well as some analyzing models for readers interested in the combustion kinetics and modeling of single metal particles. (Less)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/25c49103-f64a-4db3-91f6-8767adb1cfb3
- author
- Qiu, Yue LU
- supervisor
- opponent
-
- Prof. Hasse, Christian, Technical University Darmstadt, Germany.
- organization
- publishing date
- 2025
- type
- Thesis
- publication status
- published
- subject
- keywords
- Metal fuel, Micron-sized particle, Numerical modeling, Combustion kinetics, Flame structure
- pages
- 218 pages
- publisher
- Division of Combustion Physics, Department of Physics, Lund University
- defense location
- Lecture Hall Rydbergsalen, Department of Physics, Professorsgatan 1, Faculty of Engineering LTH, Lund University, Lund.
- defense date
- 2025-04-04 09:00:00
- ISBN
- 978-91-8104-418-8
- 978-91-8104-417-1
- language
- English
- LU publication?
- yes
- id
- 25c49103-f64a-4db3-91f6-8767adb1cfb3
- date added to LUP
- 2025-03-12 16:15:56
- date last changed
- 2025-06-16 09:15:33
@phdthesis{25c49103-f64a-4db3-91f6-8767adb1cfb3,
abstract = {{Metal fuels can be promising candidates as alternative energy sources and renewable energy carriers within the metal-fuel cycle. They feature high energy density, low environmental impact, and broad production and application. One challenge in metal particle combustion lies in its multi-physics complexity compared to traditional hydrocarbon fuels. This thesis intends to investigate the combustion physics of a single Iron (Fe) or Aluminum (Al) particle with currently available and self-designed modeling tools.<br/>One novelty of this thesis is the construction of a generalized single metal particle combustion scheme, including sub-stages of solid-phase oxidation, melting, liquid-phase oxidation, evaporation, gas-phase oxidation, and solidification/condensation. Relevant reactants and products are identified for each sub-stage, and the kinetic rate is quantified. The constructed combustion scheme can characterize the vapor phase reaction dominated Al combustion and the heterogeneous surface reaction dominated Fe combustion.<br/>Another novelty is the proposal of two models based on the OpenFOAM-7 platform: the metal “Point particle model” within the Lagrangian-Eulerian framework and the “Boundary layer resolved model” within the Eulerian framework, from different aspects of the above-generalized combustion scheme. The metal “Point particle model” intends to capture the whole combustion process of single Fe / Al particles. For Fe modeling, the predicted temperature evolution of a single Fe particle shows a similar trend to the experimental radiant intensity curve. The proposed conjecture of “super-cooled solidification” explains the experimentally observed radiant intensity jump. For Al, a “Melt-ejection-Model”(MEM) is proposed to explain the observed pre-ignition phenomenon. The simulated Ignition Delay Time (IDT) statistically correlates well with experimental data. The detailed flame structure of a micron-sized Al droplet in hot steam-dominated environments is simulated with the “Boundary layer resolved model”. Good agreement with experiment data is observed in the flame temperature for all the droplet sizes, and in the flame stand-off ratio and the Stefan flow velocity for the small droplet size group. Lastly, this thesis provides the first comprehensive review and analysis of Al / O2 / H2O gas-phase combustion kinetics in a “real-case” droplet combustion simulation based on the “Boundary layer resolved model”.<br/>It is hoped that this thesis can provide new foundational insights as well as some analyzing models for readers interested in the combustion kinetics and modeling of single metal particles.}},
author = {{Qiu, Yue}},
isbn = {{978-91-8104-418-8}},
keywords = {{Metal fuel; Micron-sized particle; Numerical modeling; Combustion kinetics; Flame structure}},
language = {{eng}},
publisher = {{Division of Combustion Physics, Department of Physics, Lund University}},
school = {{Lund University}},
title = {{Modeling of Metal Particle Combustion : Detailed Numerical Studies of Micron-sized Iron and Aluminum Particles}},
url = {{https://lup.lub.lu.se/search/files/210257274/Yue_Qiu_-_WEBB.pdf}},
year = {{2025}},
}