A comparison of mechanistic models for the combustion of iron microparticles and their application to polydisperse iron-air suspensions

Exploring the oxidation behavior of undiluted and diluted iron particles for energy storage: Mössbauer spectroscopic analysis and kinetic modeling

“…The iron microparticles are simulated utilizing a 0D state-of-the-art iron particle model, including curvature correction and a parabolic rate law for oxidation. 47 The model is implemented in an in-house C++ code 48 and numerically solved with CVODE from the Sundials suite. 49 The parabolic rate constants are determined with ANSYS® optiSLang 50 by minimization of the mean squared error between model prediction and experimental data for the species mass fractions.…”

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

“…During the oxidation process FeO is produced according to Although higher oxidation states of iron (Fe 3 O 4 and Fe 2 O 3 ) exist, we limit ourselves to the sole production of FeO. This is because a recent set of iron combustion sub-models is based on the same assumption (Hazenberg and van Oijen 2021;Thijs et al 2023;Mich et al 2023;Wen et al 2023) such that limiting ourselves to FeO results in a better comparability of our data to these recent references. These existing FeO sub-models represent the most important oxidation physics (kinetic and/or diffusion limitation) and have been successfully validated against experimental data.…”

“…During the simultaneous presence of both Fe and FeO, their thermophysical properties ( , c p and h s ) need to be defined. In this work, the densities are calculated in analogy to Mich et al (2023). The remaining thermophysical properties are taken from the NIST database (Chase 1998) and described by the Shomate equations.…”

“…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.…”

“…Hemamalini et al (2023) considered reacting iron particle clouds in a double shear layer configuration by CP-DNS and provided a qualitative impression of early-time iron cloud combustion. Here, we conduct CP-DNS of a reacting iron particle cloud in a turbulent mixing layer by using the First Order Surface Kinetics (FOSK) iron combustion sub-model proposed by Mich et al (2023). Our objectives are to…”