Related papers: Optimizing carbon dioxide trapping for geological …
We study the effects of H2O on CO2 adsorption in an amine-appended variant of the metal-organic framework Mg2(dobpdc), which is known to exhibit chaining behavior that presents in a step-shaped adsorption isotherm. We first show how the…
Ion hydrations are ubiquitous in natural and fundamental processes. A quantitative analysis of a novel CO2 sorbent driven by ion hydrations was presented by molecular dynamics (MD). We explored the humidity effect on the diffusion and…
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…
Carbonate reservoirs offer significant capacity for subsurface carbon storage, oil production, and underground hydrogen storage. X-ray computed tomography (X-ray CT) coupled with numerical simulations is commonly used to investigate the…
We report results from grand-canonical Monte Carlo simulations of methane and carbon dioxide adsorption in structure sI gas hydrates. Simulations of pure component systems show that all methane sites are equivalent, while carbon dioxide…
Transpiration cooling is an active thermal protection system of increasing interest in aerospace applications wherein a coolant is effused through a porous wall into a hot external flow. The present work focuses on the interaction between…
This paper proposes a deep neural network approach for predicting multiphase flow in heterogeneous domains with high computational efficiency. The deep neural network model is able to handle permeability heterogeneity in high dimensional…
Carbon nanomembranes (CNMs) are nanometer-thin disordered carbon materials that are suitable for a range of applications, from energy generation and storage, through to water filtration. The structure-property relationships of these…
We use space-charge (SC) theory (also called the capillary pore model) to describe the ionic conductance, $G$, of charged carbon nanotubes (CNTs). Based on the reversible adsorption of hydroxyl ions to CNT pore walls, we use a Langmuir…
Accurately describing the distribution of CO$_2$ in the atmosphere with atmospheric tracer transport models is essential for greenhouse gas monitoring and verification support systems to aid implementation of international climate…
We use molecular simulations of an ionic liquid in contact with a range of nanoporous carbons to investigate correlations between ion size, pore size, pore topology and properties of the adsorbed ions. We show that diffusion coefficients…
We investigate the mechanical and adsorption properties of single-walled carbon nanotubes (SWCNTs) filled with greenhouse gases through Grand Canonical Monte Carlo (GCMC) and Molecular Dynamics (MD) simulations using a recently developed…
Carbon mitigation is one challenging issue that the world is facing. To tackle deleterious impacts of CO2, processes emerged, including chemisorption from amine based solvents, and more recently physisorption in porous solids. While CO2…
Indoor air quality in schools and classrooms is paramount for the health and well-being of pupils and staff. CO2 monitors offer a cost-effective way to assess and manage ventilation provision. However, often only a single point measurement…
We use an open, hourly-resolved, networked model of the European energy system to investigate the storage requirements under decreasing CO$_2$ emissions targets and several sector-coupling scenarios. For the power system, significant…
Protoplanetary disks are the target of many chemical studies (both observational and theoretical) as they contain the building material for planets. Their large vertical and radial gradients in density and temperature make them challenging…
The transport of CO2 across the air-water interface is central to physical oceanography and carbon sequestration. A comprehensive understanding of this process requires high-resolution diagnostics of diffusion, absorption, and reaction…
Liquids in oil-bearing porous media assume complex shapes that depend on the reservoir characteristics and the wetting properties of the liquid. The wide variation in the geometry of rock formations makes it difficult to accurately predict…
This research investigates the adsorption characteristics of carbon nanobelts (CNB) and Mobius carbon nanobelts (MCNB) interacting with various greenhouse gases, including NH3, CO2, CO, H2S, CH4, CH3OH, NO2, NO, and COCl2. The study employs…
Different hypotheses have been proposed to explain the mechanism for the extremely low friction coefficient of carbon coatings and its undesired dependence on air humidity. A decisive atomistic insight is still lacking because of the…