CO2 and CH4 adsorption on different rank coals: A thermodynamics study of surface potential, Gibbs free energy change and entropy loss

X Du, Y Cheng, Z Liu, H Yin, T Wu, L Huo, C Shu - Fuel, 2021 - Elsevier
In this paper, the pore structures of three different rank coals sampled from China
(anthracite, bituminous coal and lignite) were characterized by CO 2 and N 2 adsorption …

Gas adsorption capacity changes in coals of different ranks after liquid nitrogen freezing

L Qin, P Wang, S Li, H Lin, R Wang, P Wang, C Ma - Fuel, 2021 - Elsevier
Fracturing coal with liquid nitrogen (LN 2) has a positive effect on coalbed methane (CBM)
extraction. The purpose of this study is to investigate the gas adsorption capacity of coals of …

A review of molecular models for gas adsorption in shale nanopores and experimental characterization of shale properties

Y Zhang, D Li, G Xin, S Ren - ACS omega, 2023 - ACS Publications
Shale gas, as a promising alternative energy source, has received considerable attention
because of its broad resource base and wide distribution. The establishment of shale …

Molecular model construction of low-quality coal and molecular simulation of chemical bond energy combined with materials studio

H Yan, B Nie, C Peng, P Liu, X Wang, F Yin… - Energy & …, 2021 - ACS Publications
Molecular simulations, which can explain macroscopic phenomena from a microscopic
molecular perspective, are currently receiving considerable attention. The key to this is how …

Investigation of the Mechanisms of CO2/O2 Adsorption Selectivity on Carbon Materials Enhanced by Oxygen Functional Groups

J Jia, H Zhao, M He, Z Wang, Z Sun, X Yang, Q Yu… - Langmuir, 2023 - ACS Publications
Power plant flue gas and industrial waste gas are produced in large quantities. Using these
as feedstocks for CO2 electroreduction has important practical significance for the treatment …

Thermodynamic Analysis of CH4/CO2/N2 Adsorption on Anthracite Coal: Investigated by Molecular Simulation

M Hao, Z Qiao, H Zhang, Y Wang, Y Li - Energy & Fuels, 2021 - ACS Publications
The interpretation of gas adsorption behavior on a coal surface is an important theoretical
basis for gas injection to enhance the recovery of coalbed methane. In order to further …

How gas recovery and carbon storage capacity response to dynamic deformation of kerogen upon CO2/CH4 competitive adsorption for CCUS? Evidence from …

J Li, C Sun - International Journal of Coal Geology, 2022 - Elsevier
Unconventional natural gas in organic-rich shale and coal seams, which primarily consists
of methane (CH 4), is a dominant alternative to conventional energy because of its large …

Insights into the Molecular Competitive Adsorption Mechanism of CH4/CO2 in a Kerogen Matrix in the Presence of Moisture, Salinity, and Ethane

J Li, Y Wang, Z Chen, SS Rahman - Langmuir, 2021 - ACS Publications
Carbon dioxide (CO2) injection in shale and coal seam gas reservoirs has become one of
the most popular ways to promote methane (CH4) production. However, geological factors …

Reconstructions of supercritical CO2 adsorption isotherms and absolute adsorption estimation in nanoporous coals considering volumetric effects and varying …

Q Yang, J Xue, W Li, B Hu, Q Ma, K Zhan, X Du… - Chemical Engineering …, 2022 - Elsevier
Abstract Understanding supercritical CO 2 (ScCO 2) adsorption behavior in nanoporous
coals is crucial for long-term CO 2 geological storage. Four coal samples with a broad …

Molecular insights on influence of CO2 on CH4 adsorption and diffusion behaviour in coal under ultrasonic excitation

W Yang, L Wang, K Yang, S Fu, C Tian, R Pan - Fuel, 2024 - Elsevier
Decoupling the molecular structure from the pore structure is challenging under
experimental conditions; this hinders the independent investigation of the effect of the …