Ignition and combustion of a single iron particle with impurities in hot post-flame gas flow

F Peng, C Kong, H Liu, X Mi, S Xu, Y Liu, W Cai - Combustion and Flame, 2024 - Elsevier
Micron-sized iron particles are promising carbon-free fuels. Efforts have been made to
understand the combustion process of pure iron particles. However, it is not well-established …

Investigation of Iron Nanoparticle Oxidation under External Electrostatic Fields Using Reactive Molecular Dynamics

EM Kritikos, A Giusti - The Journal of Physical Chemistry C, 2024 - ACS Publications
A reactive molecular dynamics (MD) study of iron nanoparticle oxidation under externally
applied electrostatic fields is performed, with a focus on the role of charge transfers and …

[HTML][HTML] Temperature of burning iron microparticles with in-situ resolved initial sizes

D Ning, T Li, B Böhm, A Dreizler - Combustion and Flame, 2024 - Elsevier
Simultaneous, in-situ, optical diagnostics are performed to measure initial diameters and the
temporal temperature evolution of iron microparticles burning in hot laminar oxidizing …

Micro-explosion of burning iron particles with carbon impurity

F Peng, H Liu, C Kong, X Mi, B Tian, Y Zheng, S Xu… - Combustion and …, 2025 - Elsevier
Micron-sized iron particles are promising carbon-free fuels, which can provide stable and
clear energy by combustion. Micro-explosion, a phenomenon that the burning particle …

[HTML][HTML] A numerical study of internal transport in oxidizing liquid core–shell iron particles

LC Thijs, MA Van Ende, JA van Oijen, P de Goey… - Combustion and …, 2025 - Elsevier
In an effort to improve the understanding of the rate-limiting mechanisms in liquid iron
particle combustion, this study investigates the impact of internal transport within a core …

Quantifying reaction rates in methane oxidation: atomistic simulations at high temperature

Y Mao, Y Zhang - Journal of Physics D: Applied Physics, 2024 - iopscience.iop.org
This study presents a comprehensive analysis of methane oxidation at high temperatures
(2500 K–3500 K)—a critical process in atmospheric chemistry and energy production …

Development of an Atomic Cluster Expansion potential for iron and its oxides

B Bienvenu, M Todorova, J Neugebauer… - arxiv preprint arxiv …, 2024 - arxiv.org
The combined structural and electronic complexity of iron oxides poses many challenges to
atomistic modeling. To leverage limitations in terms of the accessible length and time scales …

[HTML][HTML] Investigation of the effect of electrostatic fields and iron nanoparticles on hydrogen-oxygen combustion

E Saridede, EM Kritikos, A Giusti - Proceedings of the Combustion Institute, 2024 - Elsevier
The combustion of hydrogen–oxygen systems with iron nanoparticles and external
electrostatic fields is investigated using reactive molecular dynamics simulations with the …