Gas diffusion in coal particles: A review of mathematical models and their applications

W Zhao, Y Cheng, Z Pan, K Wang, S Liu - Fuel, 2019 - Elsevier
As key flow properties for coalbed methane production, greenhouse gas reduction through
CO 2 storage in coal and gas drainage to improve mining safety, knowledge of gas diffusion …

Review of application of molecular dynamics simulations in geological sequestration of carbon dioxide

Z Ma, PG Ranjith - Fuel, 2019 - Elsevier
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 …

Molecular simulation of CH4 adsorption characteristics in bituminous coal after different functional group fractures

B Ji, H Pan, M Pang, M Pan, H Zhang, T Zhang - Energy, 2023 - Elsevier
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 …

Competitive adsorption of CO2/N2/CH4 onto coal vitrinite macromolecular: Effects of electrostatic interactions and oxygen functionalities

S Yu, J Bo, L Fengjuan - Fuel, 2019 - Elsevier
Here, the influences of oxygen functional groups (OFGs, single bondCdouble bondO, single
bondCsingle bondOsingle bondCsingle bond, single bondCdouble bondO, and single …

CO2 Diffusion and Dispersion in Porous Media: Review of Advances in Experimental Measurements and Mathematical Models

MG Rezk, J Foroozesh, A Abdulrahman… - Energy & …, 2021 - ACS Publications
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 …

Gas diffusion coefficient estimation of coal: a dimensionless numerical method and its experimental validation

A Liu, P Liu, S Liu - International Journal of Heat and Mass Transfer, 2020 - Elsevier
The diffusion coefficient is one of the key parameters to control gas desorption and transport
kinetics in coal with pressure evolution. Accurate estimation of diffusion coefficient of coal is …

Competitive sorption of CO2/CH4 and CO2 capture on modified silica surfaces: A molecular simulation

H Sui, F Zhang, L Zhang, D Wang, Y Wang… - Science of The Total …, 2024 - Elsevier
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 …

Adsorption of CH4/CO2/N2 by different functional groups in coal

J Jia, Y Wu, D Zhao, B Li, D Wang, F Wang - Fuel, 2023 - Elsevier
To explore the microscopic mechanism of gas adsorption by different functional groups in
coal and provide theoretical support for the prevention and control of coal mine gas …

Modeling and experimental study on methane diffusivity in coal mass under in-situ high stress conditions: A better understanding of gas extraction

Z Liu, X Lin, Z Wang, Z Zhang, R Chen, L Wang, W Li - Fuel, 2022 - Elsevier
Gas desorption and diffusion in pore is not only an important behavior to control the law of
gas migration, but also an important theoretical basis for the proposal and optimization of …

Confinement effect on transport diffusivity of adsorbed CO2–CH4 mixture in coal nanopores for CO2 sequestration and enhanced CH4 recovery

W Guang, Z Zhang, L Zhang, PG Ranjith, S Hao, X Liu - Energy, 2023 - Elsevier
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 …