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PreprintCC BYChemRxiv

Role of water in hydrogen-based iron oxide reduction: effects on pore evolution and gas transport

  • Kartik Sunil Umate1
  • Yang Bai1,2,3
  • Bob Svendsen1,4
  • Dierk Raabe1
4 affiliations
  1. 1Circular Metallurgy and Alloy Design, Max Planck Institute for Sustainable Materials GmbH, Max-Planck-Straße 1,, Düsseldorf, Germany, 40237
  2. 2School of Advanced Engineering
  3. 3Great Bay University
  4. 4Material Mechanics, RWTH Aachen University, Schinkelstr. 2, Aachen, Germany, 52062
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Abstract

Hydrogen-based direct reduction offers a low-emission route to ironmaking. Oxygen removal reduces the mass and volume of the solid, creating pores that provide pathways for hydrogen supply and removal of the water produced. Water accumulation within these evolving pores can inhibit further reduction. Here, we develop a phase-field model coupling water generation, transport, and reaction inhibition to pore evolution during wüstite-to-ferrite reduction. The simulations show that water accumulation slows reduction and allows pores to coarsen. Increasing the pore volume fraction accelerates reduction but does not prevent water accumulation when its removal from the pores is limited. Simulating gas diffusion through the resulting fixed pore structures shows that coarser morphologies have higher directional effective diffusivity even at comparable pore fractions. These findings motivate pellet-scale models that account for how reduction history shapes pore morphology and thereby influences gas transport.

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Cite

BibTeXRIS
BibTeX
@misc{umate2026role,
  title = {{Role of water in hydrogen-based iron oxide reduction: effects on pore evolution and gas transport}},
  author = {Kartik Sunil Umate and Yang Bai and Bob Svendsen and Dierk Raabe},
  howpublished = {ChemRxiv},
  year = {2026},
  month = oct,
  doi = {10.26434/chemrxiv.15011021/v1},
  url = {https://chemrxiv.org/doi/full/10.26434/chemrxiv.15011021/v1},
  note = {CC BY},
}
RIS
TY  - UNPB
TI  - Role of water in hydrogen-based iron oxide reduction: effects on pore evolution and gas transport
AU  - Kartik Sunil Umate
AU  - Yang Bai
AU  - Bob Svendsen
AU  - Dierk Raabe
PY  - 2026
DA  - 2026/10/25
PB  - ChemRxiv
DO  - 10.26434/chemrxiv.15011021/v1
UR  - https://chemrxiv.org/doi/full/10.26434/chemrxiv.15011021/v1
AB  - Hydrogen-based direct reduction offers a low-emission route to ironmaking. Oxygen removal reduces the mass and volume of the solid, creating pores that provide pathways for hydrogen supply and removal of the water produced. Water accumulation within these evolving pores can inhibit further reduction. Here, we develop a phase-field model coupling water generation, transport, and reaction inhibition to pore evolution during wüstite-to-ferrite reduction. The simulations show that water accumulation slows reduction and allows pores to coarsen. Increasing the pore volume fraction accelerates reduction but does not prevent water accumulation when its removal from the pores is limited. Simulating gas diffusion through the resulting fixed pore structures shows that coarser morphologies have higher directional effective diffusivity even at comparable pore fractions. These findings motivate pellet-scale models that account for how reduction history shapes pore morphology and thereby influences gas transport.
ER  -