Improvement of heat- and mass transfer modeling for single iron particles combustion using resolved simulations

Thijs, L.C.; Gool, C.E.A.G. van; Ramaekers, Wjs Giel; Kuerten, Johannes G.M.; Oijen, J.A. van; Goey, de Lph Philip

doi:10.1080/00102202.2022.2089030

Cited by 13 publications

(6 citation statements)

References 32 publications

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“…( 8), and QO 2 the energy transfer due to oxygen consumption at particle temperature. The convective heat transfer time scale follows Ranz-Marshall (1952) with A Sherwood and Nusselt number correction is applied to account for Stefan flow (Spalding 1979;Bird et al 2002;Thijs et al 2022) such that Sh * replaces Sh in the expression for k d and Nu * is used instead of Nu in Eq. ( 16).…”

Section: Solid Phasementioning

confidence: 99%

“…Soo et al (2015) proposed a kinetically-and diffusion-limited model for iron that was later extended by Hazenberg and van Oijen (2021), considering the major oxidation step of Fe to FeO. Recently, Thijs et al (2022) and Mich et al (2023) extended this model by deriving improved heat and mass transfer correlations from fully-resolved particle simulations (Thijs et al 2022) and studying polydispersity effects on single particle combustion in the Euler-Lagrange framework (Mich et al 2023). Mi et al (2022) proposed an alternative iron combustion model that describes the growth of iron oxide layers consisting of FeO and Fe 3 O 4 by a parabolic rate law.…”

Section: Introductionmentioning

confidence: 99%

“…Direct numerical simulations (DNS) are essential to investigate these processes in detail. While fully-resolved DNS, that resolves all particle boundary layers, is only possible for single particles (Thijs et al 2022) and small particle groups, the carrier-phase direct numerical simulation (CP-DNS) approach provides a good trade-off between accuracy and efficiency for particle cloud combustion. CP-DNS resolves all scales of turbulence and the flame, but employs sub-models for the momentum, heat and mass transfer across the boundary layers between the bulk gas phase and the Lagrangian point particles.…”

Section: Introductionmentioning

confidence: 99%

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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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Section: Solid Phasementioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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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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“…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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“…Note that the 1/2 rule is used instead of the 1/3 rule, as in the Hazenberg model. In the work of Thijs et al [29] it is observed that the 1/2 rule is more accurate if one includes physical phenomena such as slip velocity and Stefan flow. The following expression for the diffusion coefficient of oxygen is used:…”

mentioning

confidence: 99%

Particle Equilibrium Composition model for iron dust combustion

Gool

Thijs

Ramaekers

et al. 2023

Applications in Energy and Combustion Science

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Improvement of heat- and mass transfer modeling for single iron particles combustion using resolved simulations

Cited by 13 publications

References 32 publications

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

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

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

Particle Equilibrium Composition model for iron dust combustion

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