相关论文: Effect of Pore Formation on Redox-Driven Phase Tra…
In the perspective of long term geological storage, high level nuclear wastes will be overpacked in low carbon steel containers. In that context, we have studied the influence of oxygen dissolved in water on iron corrosion. Therefore,…
Steelmaking contributes 8% to the total CO2 emissions globally, primarily due to coal-based iron ore reduction. Clean hydrogen-based ironmaking has variable performance because the dominant gas-solid reduction mechanism is set by the…
In order to improve the hydrogen storage properties of calcium hydride (CaH2), we have tuned its thermodynamical properties through fluorination. Using ab-initio total energy calculations based on density functional theory, the structural…
One of the key risks for a Carbon Capture Storage (CCS) is injectivity decline. Evaporation of the connate brine in near-wellbore region during CO2 injection may result in drying-up the rock yielding the mobilisation and migration of clay…
Despite the fundamental importance of solid--solid transitions for metallurgy, ceramics, earth science, reconfigurable materials, and colloidal matter, the details of how materials transform between two solid structures are poorly…
When reactive fluids flow through a dissolving porous medium, conductive channels form, leading to fluid breakthrough. This phenomenon is important in geologic carbon storage, where the dissolution of CO2 in water increases the acidity and…
We investigate the process of phase conversion in a thermally-driven {\it weakly} first-order quark-hadron transition. This scenario is physically appealing even if the nature of this transition in equilibrium proves to be a smooth…
A hydrophobic constriction site can act as an efficient barrier to ion and water permeation if its diameter is less than the diameter of an ion's first hydration shell. This hydrophobic gating mechanism is thought to operate in a number of…
We study the transport of inertial particles in water flow in porous media. Our interest lies in understanding the accumulation of particles including the possibility of clogging. We propose that accumulation can be a result of hydrodynamic…
Porous electrodes are fast emerging as essential components for next generation supercapacitors. Using porous structures of Co3O4, Mn3O4, alpha Fe2O3, and carbon, their advantages over the solid counterpart is unequivocally established. The…
Stable oxygen sites on a PdO film over a Pd(100) thin structures with a (sqrt{5} times sqrt{5}) R27^circ surface-unit cell are determined using the first-principles electronic structure calculations with the generalized gradient…
Understanding the oxidation and reduction mechanisms of catalytically active transition metal nanoparticles is important to improve their application in a variety of chemical processes. In nanocatalysis the nanoparticles can undergo…
Subsurface porous rocks have the potential to store large volumes of hydrogen (H$_2$) required for transitioning towards a H$_2$-based energy future. Understanding the flow and trapping behavior of H$_2$ in subsurface storage systems, which…
The dissolution of porous media in a geologic formation induced by the injection of massive amounts of CO2 can undermine the mechanical stability of the formation structure before carbon mineralization takes place. The geomechanical impact…
Our investigations on porous Si show that on increase of pressure it undergoes crystalline phase transitions instead of pressure induced amorphization - claimed earlier, and the amorphous phase appears only on release of pressure. This…
Accurate model predictions of corrosion-driven damage in reinforced concrete structures necessitate a comprehensive understanding of the rate of corrosion product formation. Here, we investigate the influence of dissolved Si characteristic…
The present study investigates the effect of different reaction times on the crystallinity, surface morphology and size of iron oxide nanoparticles. In this synthetic system, aqueous iron (III) nitrate (Fe(NO$_3$)$_3\cdot9$H$_2$O)…
The valence of iron has been used in terrestrial studies to trace the hydrolysis of primary silicate rocks. Here, we use a similar approach to characterize the secondary processes, namely thermal metamorphism and aqueous alteration, that…
We show that during evaporation of a pore network, liquid can refill the gas occupied pores, snapping off a gas bubble, which then moves to a stable configuration. This phenomenon is induced by the capillary instability due to the…
This work presents a model for characterizing porous, deformable media embedded with magnetorheological fluids (MRFs). These active fluids exhibit tunable mechanical and rheological properties that can be controlled through the application…