Related papers: Optimizing carbon dioxide trapping for geological …
During evaporation in porous media, two types of corner films are distinguished. A continuous corner film is connected to the bulk liquid, while a discontinuous one is not. To disclose their effects on evaporation in porous media, a pore…
With the growing global deployment of carbon capture and sequestration technology to combat climate change, monitoring and detection of potential CO2 leakage through existing or storage induced faults are critical to the safe and long-term…
Wettability is a pore-scale property that has an important impact on capillarity, residual trapping, and hysteresis in porous media systems. In many applications, the wettability of the rock surface is assumed to be constant in time and…
Hydrogen technology is set to be a key energy alternative for mitigating pollution and reducing CO$_2$ emissions. However, the current storage mechanism of hydrogen molecules in carbon fibre tanks detracts from the fuel economy of hydrogen…
Drainage in porous media can be broken down into two main mechanisms: a primary piston-like displacement of the interfaces through the bulk of pore bodies and throats, and a secondary slow flow through corners and films in the wake of the…
We investigate the nucleation of carbon dioxide (CO$_2$) hydrates from carbon dioxide aqueous solutions by means of molecular dynamics simulations using the TIP4P/Ice and the TraPPE models for water and CO$_2$ respectively. We work at 400…
Microbially induced calcite precipitation (MICP) is a new and sustainable technology which utilizes biochemical processes to create barriers by calcium carbonate cementation; therefore, this technology has a potential to be used for sealing…
The geological storage of hydrogen (H_2) requires reliable long-term caprock sealing, yet the nanoscale interactions between H_2 and clay minerals remain critically underexplored despite their importance for storage security. This lack of…
The increasing CO2 level is a critical concern and suitable materials are needed to capture such gases from the environment. While experimental and conventional computational methods are useful in finding such materials, they are usually…
Sedimentary rocks often form the upper layers or the entire target rocks in impact events. Thermodynamic properties of sedimentary rocks related to porosity and water saturation affect the process of impact crater formation. The…
We have performed quantum chemical computational studies to determine carbon dioxide affinity to carbon compounds and minerals, which could be present in shales. These studies shed light on the microscopic mechanisms of the possible carbon…
Underground hydrogen storage (UHS) in geological formations is a promising technology for large-scale hydrogen energy storage. Although lessons were learned from similar studies, including geological carbon sequestration and underground gas…
Convective dissolution is the process by which CO$_2$ injected in deep geological formations dissolves into the aqueous phase, which allows storing it perennially by gravity. The process results from buoyancy-coupled Darcy flow and solute…
Direct air capture (DAC) of carbon dioxide is a critical technology for mitigating climate change, but current materials face limitations in efficiency and scalability. We discover novel DAC materials using a combined machine learning (ML)…
This article discusses the way the standard description of capillary filling dynamics has to be modified to account for liquid/solid slip in nanometric pores. It focuses in particular on the case of a large slip length compared to the pore…
Emerging carbon capture and storage (CCS) markets face critical challenges in developing systematic methodologies to assess geological CO2 storage potential under conditions of limited data availability, evolving regulatory frameworks, and…
Understanding the similarities and differences of the long term impact of different carbon dioxide removal (CDR) techniques is essential in determining the most effective and sustainable strategies to mitigate climate change. In particular,…
Wetting phenomena play a key role in flows through porous media. Relative permeability and capillary pressure-saturation functions show a high sensitivity to wettability, which has different definitions at the continuum- and pore-scale. At…
A partially miscible binary liquid mixture, composed of A and B particles, is considered theoretically under conditions for which a stable A-rich liquid phase is in thermal equilibrium with the vapor phase. The B-rich liquid is metastable.…
We report on the development of an original mesoscopic lattice model to predict structural, dynamical and capacitive properties of carbon-carbon supercapacitors. The model uses input from molecular simulations, such as free energy profiles…