Critical temperature for nanoparticle cloud formation during combustion of single micron-sized iron particle

Ning, Daoguan; Shoshin, Yuriy; Oijen, J.A. van; Finotello, Giulia; Goey, de Lph Philip

doi:10.1016/j.combustflame.2022.112296

Cited by 21 publications

(17 citation statements)

References 10 publications

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“…Recent literature mainly considers the role of metals as energy carriers, − in heat and power generation processes, ,− and addresses also life-cycle analyses . Several metals are being discussed with numerous studies on iron ,− and aluminum, ,− also considering, e.g, lithium and magnesium. ,, Alumina combustion can be performed in air or in water, with the latter providing also hydrogen as a product. ,,, Hydrogen production on demand at any desired location, at different scales, from the highly exothermic reactions of light metals (Al, Mg, Li) with water could be a significant technological advantage. , A schematic view of an aluminum-based power generation process is shown in Figure …”

Section: Fuels For a Carbon-reduced Perspectivementioning

confidence: 99%

“…Metal combustion has been studied with regard to propellants, , but as part of potential circular, noncarbon energy-related processes, such investigations have experienced increasing attention only quite recently. Regarding direct combustion of iron particles in air, recent studies have been devoted to ignition of Fe particles, ,, analysis of the combustion process, also including measurement of particle concentrations and temperature, ,− ,− inspection of properties of the (combusted) particles, , and potential regeneration strategies of the resulting iron oxide . From controlled experiments with single particles, different particle sizes, and oxygen concentrations, new phenomena were revealed such as nanoparticle cloud formation during the combustion of a single micron-sized iron particle, and phase changes of the particles within the combustion process …”

Section: Fuels For a Carbon-reduced Perspectivementioning

confidence: 99%

“…Insight is needed into the oxygen interaction with the particle, phase changes, solid- and liquid-state reactions during the oxidation, heat exchange between particles and surrounding gas, and further aspects, to conceive a physico-chemically sound, reliable model of the process that could serve as a basis for upscaling . Experimental investigations whose results could support mechanism development have only just begun to appear. − …”

Section: Fuels For a Carbon-reduced Perspectivementioning

confidence: 99%

“…Regarding direct combustion of iron particles in air, recent studies have been devoted to ignition of Fe particles, 554,555,557 analysis of the combustion process, also including measurement of particle concentrations and temperature, 549,551−554,556−558 inspection of properties of the (combusted) particles, 556,557 and potential regeneration strategies of the resulting iron oxide. 550 From controlled experiments with single particles, different particle sizes, and oxygen concentrations, new phenomena were revealed such as nanoparticle cloud formation during the combustion of a single micron-sized iron particle, 558 and phase changes of the particles within the combustion process. 557 Compared to ignition and combustion of solid fuels like coal or biomass where evaporation of volatile matter upon heating plays a role, the process is different for metal particles.…”

Section: Metal Fuelsmentioning

confidence: 99%

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Combustion, Chemistry, and Carbon Neutrality

Kohse‐Höinghaus

2023

Chem. Rev.

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Combustion is a reactive oxidation process that releases energy bound in chemical compounds used as fuels�energy that is needed for power generation, transportation, heating, and industrial purposes. Because of greenhouse gas and local pollutant emissions associated with fossil fuels, combustion science and applications are challenged to abandon conventional pathways and to adapt toward the demand of future carbon neutrality. For the design of efficient, low-emission processes, understanding the details of the relevant chemical transformations is essential. Comprehensive knowledge gained from decades of fossil-fuel combustion research includes general principles for establishing and validating reaction mechanisms and process models, relying on both theory and experiments with a suite of analytic monitoring and sensing techniques. Such knowledge can be advantageously applied and extended to configure, analyze, and control new systems using different, nonfossil, potentially zero-carbon fuels. Understanding the impact of combustion and its links with chemistry needs some background. The introduction therefore combines information on exemplary cultural and technological achievements using combustion and on nature and effects of combustion emissions. Subsequently, the methodology of combustion chemistry research is described. A major part is devoted to fuels, followed by a discussion of selected combustion applications, illustrating the chemical information needed for the future.

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Section: Fuels For a Carbon-reduced Perspectivementioning

confidence: 99%

Section: Fuels For a Carbon-reduced Perspectivementioning

confidence: 99%

Section: Fuels For a Carbon-reduced Perspectivementioning

confidence: 99%

Section: Metal Fuelsmentioning

confidence: 99%

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Combustion, Chemistry, and Carbon Neutrality

Kohse‐Höinghaus

2023

Chem. Rev.

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“…To design and improve real-world iron-fuel burners, an in-depth understanding of the fundamentals underlying the combustion of single iron particles is required. In the past few years, the number of more detailed experimental − and theoretical studies − regarding the combustion of single iron particles has increased drastically. In this early research on iron particle combustion, a good agreement between experiments and theoretical models for low gas temperature (300 K) and low oxygen concentration cases (up to X O2 = 0.21) was obtained.…”

Section: Introductionmentioning

confidence: 99%

Effect of Fe–O ReaxFF on Liquid Iron Oxide Properties Derived from Reactive Molecular Dynamics

Thijs,

Kritikos,

Giusti

et al. 2023

J. Phys. Chem. A

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As iron powder nowadays attracts research attention as a carbon-free, circular energy carrier, molecular dynamics (MD) simulations can be used to better understand the mechanisms of liquid iron oxidation at elevated temperatures. However, prudence must be practiced in the selection of a reactive force field. This work investigates the influence of currently available reactive force fields (ReaxFFs) on a number of properties of the liquid iron–oxygen (Fe–O) system derived (or resulting) from MD simulations. Liquid Fe–O systems are considered over a range of oxidation degrees Z O , which represents the molar ratio of O/(O + Fe), with 0 < Z O < 0.6 and at a constant temperature of 2000 K, which is representative of the combustion temperature of micrometric iron particles burning in air. The investigated properties include the minimum energy path, system structure, (im)miscibility, transport properties, and the mass and thermal accommodation coefficients. The properties are compared to experimental values and thermodynamic calculation results if available. Results show that there are significant differences in the properties obtained with MD using the various ReaxFF parameter sets. Based on the available experimental data and equilibrium calculation results, an improved ReaxFF is required to better capture the properties of a liquid Fe–O system.

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Carrier-Phase DNS of Ignition and Combustion of Iron Particles in a Turbulent Mixing Layer

Luu,

Shamooni,

Kronenburg

et al. 2024

Flow Turbulence Combust

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Three-dimensional carrier-phase direct numerical simulations (CP-DNS) of reacting iron particle dust clouds in a turbulent mixing layer are conducted. The simulation approach considers the Eulerian transport equations for the reacting gas phase and resolves all scales of turbulence, whereas the particle boundary layers are modelled employing the Lagrangian point-particle framework for the dispersed phase. The CP-DNS employs an existing sub-model for iron particle combustion that considers the oxidation of iron to FeO and that accounts for both diffusion- and kinetically-limited combustion. At first, the particle sub-model is validated against experimental results for single iron particle combustion considering various particle diameters and ambient oxygen concentrations. Subsequently, the CP-DNS approach is employed to predict iron particle cloud ignition and combustion in a turbulent mixing layer. The upper stream of the mixing layer is initialised with cold particles in air, while the lower stream consists of hot air flowing in the opposite direction. Simulation results show that turbulent mixing induces heating, ignition and combustion of the iron particles. Significant increases in gas temperature and oxygen consumption occur mainly in regions where clusters of iron particles are formed. Over the course of the oxidation, the particles are subjected to different rate-limiting processes. While initially particle oxidation is kinetically-limited it becomes diffusion-limited for higher particle temperatures and peak particle temperatures are observed near the fully-oxidised particle state. Comparing the present non-volatile iron dust flames to general trends in volatile-containing solid fuel flames, non-vanishing particles at late simulation times and a stronger limiting effect of the local oxygen concentration on particle conversion is found for the present iron dust flames in shear-driven turbulence.

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Critical temperature for nanoparticle cloud formation during combustion of single micron-sized iron particle

Cited by 21 publications

References 10 publications

Combustion, Chemistry, and Carbon Neutrality

Combustion, Chemistry, and Carbon Neutrality

Effect of Fe–O ReaxFF on Liquid Iron Oxide Properties Derived from Reactive Molecular Dynamics

Carrier-Phase DNS of Ignition and Combustion of Iron Particles in a Turbulent Mixing Layer

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