Langmuir adsorption isotherm in unconventional resources: Applicability and limitations

S Alafnan, A Awotunde, G Glatz, S Adjei… - Journal of Petroleum …, 2021 - Elsevier
Accurate hydrocarbon reserve estimation is a crucial step for successful field development.
Unlike for conventional reservoirs, however, reserve estimation for unconventional …

Coal wettability in coalbed methane production: A critical review

Z Wang, S Liu, Y Qin - Fuel, 2021 - Elsevier
Coalbed methane (CBM) has been extracted on a commercial basis for more than six
decades. The low permeability of coal and ineffective dewatering are key challenges in …

[HTML][HTML] Molecular simulation of CO 2/CH 4/H 2 O competitive adsorption and diffusion in brown coal

W Zhou, H Wang, Z Zhang, H Chen, X Liu - RSC advances, 2019 - pubs.rsc.org
Carbon dioxide enhanced coalbed methane recovery (CO2-ECBM) has been proposed as a
promising technology for the natural gas recovery enhancement as well as mitigation of CO2 …

Simulation of adsorption–desorption behavior in coal seam gas reservoirs at the molecular level: a comprehensive review

J Li, Y Wang, Z Chen, SS Rahman - Energy & Fuels, 2020 - ACS Publications
This work reviews the processes of methane (CH4) and carbon dioxide (CO2) adsorption
and desorption, as well as the displacement of CH4 by CO2, at the molecular level. For the …

Effects of moisture, salinity and ethane on the competitive adsorption mechanisms of CH4/CO2 with applications to coalbed reservoirs: A molecular simulation study

J Li, Y Wang, Z Chen, SS Rahman - Journal of Natural Gas Science and …, 2021 - Elsevier
Injection of carbon dioxide (CO 2) into coal seam gas reservoirs has been considered one of
the most popular approaches to enhance methane (CH 4) production. However, many …

[HTML][HTML] CO2 Adsorption in Metal-Organic Framework Mg-MOF-74: Effects of Inter-Crystalline Space

S Gautam, D Cole - Nanomaterials, 2020 - mdpi.com
Metal-Organic Frameworks (MOF) have been identified as highly efficient nanoporous
adsorbents for CO2 storage. In particular, Mg-MOF-74 has been shown to promise …

Diffusivity of CO2 in H2O: A Review of Experimental Studies and Molecular Simulations in the Bulk and in Confinement

HM Polat, FM Coelho, TJH Vlugt… - Journal of Chemical & …, 2024 - ACS Publications
An in-depth review of the available experimental and molecular simulation studies of CO2
diffusion in H2O, which is a central property in important industrial and environmental …

[HTML][HTML] Ethane-CO2 Mixture Adsorption in Silicalite: Influence of Tortuosity and Connectivity of Pores on Selectivity

S Gautam, D Cole - C, 2023 - mdpi.com
Selective adsorption using nanoporous materials is an efficient strategy for separating gas
mixtures. In a nanoporous material, pores can exist in different shapes and can have …

Effects of pore connectivity and tortuosity on the dynamics of fluids confined in sub-nanometer pores

S Gautam, DR Cole - Physical Chemistry Chemical Physics, 2022 - pubs.rsc.org
Dynamical behavior of fluids under nano-pore confinement is studied extensively as it has
important implications for several industrial as well as geological processes. Pore network in …

Solid− solid phase transition of tungsten induced by high pressure: A molecular dynamics simulation

X Deng, L Lin, Y Mo, K Dong, Z Tian, W Hu - Transactions of Nonferrous …, 2020 - Elsevier
The phase transition of tungsten (W) under high pressures was investigated with molecular
dynamics simulation. The structure was characterized in terms of the pair distribution …