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Gas-solid reactions are cornerstones of many catalytic and redox processes that will underpin the energy and sustainability transition. The specific case of hydrogen-based iron oxide reduction is the foundation to render the global steel…
Chemical looping water splitting systems operate at relatively high temperatures (450-800 degree C) to produce, purify, or store hydrogen by the cyclic reduction and oxidation (redox) of a solid oxygen carrier. Therefore, to improve…
The reduction of iron ore with carbon-carriers is one of the largest sources of greenhouse gas emissions in the industry, motivating global activities to replace the coke-based blast furnace reduction by hydrogen-based direct reduction…
The formation of energetically favourable and metastable mineral phases within the Fe-H2O system controls the long-term mobility of iron complexes as well as other aqueous phase constituents in natural aquifers, soils and other…
The effect of hydrogen on the fracture behaviour of austenitic stainless steel has been investigated in the past [1][2]. It has been reported that fracture initiates by void formation at inclusions and regions of enhanced strain…
The phase behavior of hydrocarbon fluids confined in porous media has been reported to deviate significantly from that in the bulk environment due to the existence of sub-10nm pores. Though experiments and simulations have measured the…
Metal-organic frameworks (MOFs) are porous materials formed by interconnected metal atoms via organic linkers, resulting in high surface area and tuneable porosity, making them exceptional candidates for CO2 capture. However, their…
The role of porous structure and glass density in response to compressive deformation of amorphous materials is investigated via molecular dynamics simulations. The disordered, porous structures were prepared by quenching a high-temperature…
Traces of water can profoundly alter the dielectric response of functional oxides, yet such effects have remained largely unrecognized in systems where colossal dielectric behaviour has been widely reported. Here, we investigate the impact…
Mineral dissolution in porous media is classically partitioned into static regimes within the Pe-Da plane, but this framework fails to capture the dissolution behavior of structurally complex rocks. Using three-dimensional micro-continuum…
The kinetics of phase transition processes often governs the resulting material microstruc-ture. Using optical microscopy, we here investigate the formation and stabilization of a po-rous crystalline microstructure forming in low-salt…
Hydrogen is key in reducing greenhouse gas emissions in materials production. At the same time, it significantly affects mechanical properties, often causing unwanted embrittlement. However, rather than solely addressing these…
Solvent-mediated solid-solid phase transformations often result in the formation of a porous medium, which may be stable on long time scales or undergo ripening and consolidation. We have studied replace- ment processes in the KBr-KCl-H2O…
We study reactive transport in a stressed porous media, where dissolution of the solid matrix causes two simultaneous, competing effects: pore enlargement (chemical deformation), and pore compaction due to mechanical weakening. A novel,…
Depleted carbonate hydrocarbon reservoirs are promising sites for geological CO2 storage, yet the presence of residual hydrocarbons introduces complex pore-scale interactions that influence the dynamics of solid dissolution. This study…
It has been known for a long time that the adsorption and condensation of gas cause elastic deformation of the porous matrix. The reversible formation of an adsorbed film, which precedes capillary condensation, results in an extension of…
Numerous aqueous systems host elements in multiple redox states, with wide ranging implications such as their influence on the formation/dissolution of minerals, water toxicity, and nutrient cycling. To uncover governing mechanisms and…
In a world where capture and separation processes represent above 10% of global energy consumption, novel porous materials, such as Metal-Organic Frameworks (MOFs) used in adsorption-based processes are a promising alternative to dethrone…
Combining density-functional theory and thermodynamics we compute the phase diagram of surface structures of rutile RuO2 (110) in equilibrium with water vapor in the complete range of experimentally accessible gas phase conditions. Through…
Phase transitions inside the pores of an aerogel are investigated by modelizing the aerogel structure by diffusion-limited cluster-cluster aggregation on a cubic lattice in a finite box and considering $q$-states Potts variables on the…