With increasing anthropogenic emissions of carbon dioxide (CO 2) in the environment,
various techniques have been proposed to safely store the generated CO 2. Geological …

To research the dynamic mechanism of nitrogen and carbon dioxide displacement of
methane, we used the grand canonical Monte Carlo (GCMC) simulation method to …

To explore the effect of different functional group fractures in coal on the adsorption
characteristics of CH 4, molecular models of bituminous coal (Wiser) with fractured oxygen …

Over the last three decades, molecular dynamics (MD) has been extensively utilized in the
field of coalbed methane geology. These uses include but are not limited to 1) adsorption of …

Here, the influences of oxygen functional groups (OFGs, single bondCdouble bondO, single
bondCsingle bondOsingle bondCsingle bond, single bondCdouble bondO, and single …

CO2 molecular diffusion in subsurface porous media is one of the key mechanisms in high-
pressure–high-temperature CO2 geosequestration and CO2-based enhanced oil recovery …

The effect of functionalization of modified silica (FMS) surfaces on the adsorption behaviors
for CH 4, CO 2 and the mixture have been studied by combining a grand canonical Monte …

The transport of CO 2–CH 4 mixture in coal nanopores is crucial to CO 2-enhanced coalbed
(CO 2-ECBM) recovery, but is highly challenging on adsorption-diffusion dominated …

Better understanding the microcosmic mechanism of CO 2, O 2, and N 2 competitive
adsorption can benefit the effective CO 2 storage and fire prevention by injecting coal-fired …

The competitive adsorptions of CH4/CO2/H2O on coal vitrinite (DV-8, C214H180O24N2)
were computed based on density function theory (DFT) and grand canonical Monte Carlo …