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Idealized convection-permitting simulations of radiative-convective equilibrium (RCE) have become a popular tool for understanding the physical processes leading to horizontal variability of tropical water vapor and rainfall. However, the…
A new three-dimensional (3D) multiphase computational fluid dynamics (CFD) model for adsorption physics in packed beds of spherical beads is developed and validated. The model is constituted at a macroscopic scale that integrates new…
Compressed air energy storage is suitable for large-scale electrical energy storage, which is important for integrating renewable energy sources into electric power systems. A typical compressed air energy storage plant consists of…
Geological carbon capture and sequestration (CCS), where CO$_2$ is stored in subsurface formations, is a promising and scalable approach for reducing global emissions. However, if done incorrectly, it may lead to earthquakes and leakage of…
Geological heterogeneities essentially affect the dynamics of a CO2 plume in subsurface environments. Previously we showed how the dynamics of a CO2 plume is influenced by the multi-scale stratal architecture in deep saline reservoirs. The…
Avoiding over-pressurization in subsurface reservoirs is critical for applications like CO2 sequestration and wastewater injection. Managing the pressures by controlling injection/extraction are challenging because of complex heterogeneity…
In conventional molecular simulation, metastable structures often survive over considerable computational time, resulting in difficulties in simulating equilibrium states. In order to overcome this difficulty, here we propose a newly…
Predicting the geometrical evolution of the pore space in geological formations due to fluid-solid interactions has applications in reservoir engineering, oil recovery, and geological storage of carbon dioxide. However, modeling frameworks…
Reservoir models are numerical representations of the subsurface petrophysical properties such as porosity, volume of minerals and fluid saturations. These are often derived from elastic models inferred from seismic inversion in a two-step…
The virtual element method (VEM) allows discretization of the problem domain with polygons in 2D. The polygons can have an arbitrary number of sides and can be concave or convex. These features, among others, are attractive for meshing…
Carbon capture and storage (CCS) technology has been applied successfully in recent decades to reduce carbon emissions and alleviate global warming. In this regard, shale reservoirs present tremendous potential for carbon dioxide (CO2)…
An adventure at engineering design and modeling is possible with a Virtual Reality Environment (VRE) that uses multiple computer-generated media to let a user experience situations that are temporally and spatially prohibiting. In this…
Injecting greenhouse gas into deep underground reservoirs for permanent storage can inadvertently lead to fault reactivation, caprock fracturing and greenhouse gas leakage when the injection-induced stress exceeds the critical threshold.…
The ability to simulate the partial differential equations (PDE's) that govern multi-phase flow in porous media is essential for different applications such as geologic sequestration of CO2, groundwater flow monitoring and hydrocarbon…
The physical mechanism of CO2 trapping in porous media by capillary trapping (pore scale) incorporates a number of related processes, i.e. residual trapping, trapping due to hysteresis of the relative permeability, and trapping due to…
Time-lapse seismic monitoring of carbon storage and sequestration is often challenging because the time-lapse signature of the growth of CO2 plumes is weak in amplitude and therefore difficult to detect seismically. This situation is…
Global non-hydrostatic atmospheric models are becoming increasingly important for studying the climates of planets and exoplanets. However, such models suffer from computational difficulties due to the large aspect ratio between the…
Astrochemical models can be greatly simplified, with obvious computational advantages, if the reaction networks for key species can be reduced to a bare minimum. In addition, if chemical equilibrium holds, then simple analytical solutions…
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…
A family of Variational Quantum Eigensolver (VQE) methods is designed to maximize the resource of existing noisy intermediate-scale quantum (NISQ) devices. However, VQE approaches encounter various difficulties in simulating molecules of…