相关论文: Modeling of Ex-Situ Dissolution for Geologic Seque…
Fast assimilation of monitoring data to update forecasts of pressure buildup and carbon dioxide (CO2) plume migration under geologic uncertainties is a challenging problem in geologic carbon storage. The high computational cost of data…
Observations by ISO and Spitzer towards young stellar objects (YSOs) showed that CO$_2$ segregates in the icy mantles covering dust grains. Thermal processing of ice mixture was proposed as responsible for the segregation. Although several…
Adsorption and dissociation of hydrocarbons on metallic surfaces represent crucial steps to carburization of metal. Here, we use density functional theory total energy calculations with the climbing-image nudged elastic band method to…
Predictive modeling of CO2 storage sites requires a detailed understanding of physico-chemical processes and potential challenges for scale-up. Dramatic injectivity decline may occur due to salt precipitation pore clogging in high-salinity…
The reactions of CO$_2$ in water under extreme pressure-temperature conditions are of great importance to the carbon storage and transport below Earth's surface, which substantially affect the carbon budget in the atmosphere. We applied ab…
We apply first principles computational techniques to analyze the two-electron, multi-step, electrochemical reduction of CO2 to CO in water using cobalt porphyrin as a catalyst. Density Functional Theory calculations with hybrid functionals…
We present time-resolved pore-scale experiments in which CO2-saturated brine was injected into a water-wet Ketton limestone sample containing residual hydrocarbon under reservoir conditions (8 MPa, 50 {\deg}C) and monitored by 4D X-ray…
The diffusion of molecules on interstellar grain surfaces is one of the most important driving forces for the molecular complexity in the interstellar medium. Due to the lack of laboratory measurements, astrochemical modeling of grain…
In the majority of cases nanostructures prepared by focused electron beam induced deposition (FEBID) employing an organometallic precursor contain predominantly carbon-based ligand dissociation products. This is unfortunate with regard to…
Light-matter interactions lie at the heart of our exploration of exoplanetary atmospheres. Interpreting data obtained by remote sensing is enabled by meticulous, time- and resource-consuming work aiming at deepening our understanding of…
The jumping-droplet condensation, namely the out-of-plane jumping of condensed droplets upon coalescence, has been a promising technical innovation in the fields of energy harvesting, droplet manipulation, thermal management, etc., yet is…
Fines migration during subterranean CO2 storage is considered as one of major contributors to formation damage and injectivity decline. The main formation damage mechanism by migrating fines is rock clogging by straining of particles in…
Underwater gas reservoirs are used in many situations. In particular, Carbon Capture and Storage (CCS) facilities that are currently being developed intend to store greenhouse gases inside geological formations in the deep sea. In these…
The adsorption of volatile molecules onto dust grain surfaces fundamentally influences dust-related processes, including condensation of gas-phase molecules, dust coagulation, and planet formation in protoplanetary disks. Using advanced…
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…
Due the alarming rate of climate change, the implementation of efficient CO$_2$ capture has become crucial. This project aims to create an algorithm that predicts the uptake of CO$_2$ adsorbing Metal-Organic Frameworks (MOFs) by using…
Carbon dioxide (CO2) hydrates hold promising applications in capturing and separating CO2 for climate change mitigation. Understanding their behavior at the molecular level is therefore essential, and computer simulations have become…
We present a fully implicit formulation of coupled fluid flow and geomechanics for fluid injection/withdrawal in fractured reservoirs in the context of CO2storage. Utilizing a Galerkin finite-element approach, both flow and poroelasticity…
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…
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…