Methane adsorption of nanocomposite shale in the presence of water: Insights from molecular simulations

S Babaei, H Ghasemzadeh, S Tesson - Chemical Engineering Journal, 2023‏ - Elsevier
Accurately predicting gas adsorption in shale gas is essential for estimating production
capacity and optimizing extraction processes. However, the complex nature of shale …

Transport of shale gas in microporous/nanoporous media: molecular to pore-scale simulations

H Yu, HY Xu, JC Fan, YB Zhu, FC Wang, HA Wu - Energy & Fuels, 2020‏ - ACS Publications
As the typical unconventional reservoir, shale gas is believed to be the most promising
alternative for the conventional resources in future energy patterns, attracting more and …

Sticky layers affect oil transport through the nanopores of realistic shale kerogen

S Wang, Y Liang, Q Feng, F Javadpour - Fuel, 2022‏ - Elsevier
Understanding the transport mechanism of hydrocarbons through kerogen nanopores is
crucial to shale oil production. However, existing studies primarily focus on single …

Dynamic fluid states in organic-inorganic nanocomposite: Implications for shale gas recovery and CO2 sequestration

L Huang, W Zhou, H Xu, L Wang, J Zou… - Chemical Engineering …, 2021‏ - Elsevier
Despite wide research on organic-inorganic composites in various fields, the molecular-
scale partitioning of fluids in nanoporous organic-inorganic composites remains poorly …

Mechanisms for kerogen wettability transition from water-wet to CO2-wet: Implications for CO2 sequestration

J Zhou, J Zhang, J Yang, Z **, KH Luo - Chemical Engineering Journal, 2022‏ - Elsevier
Geological CO 2 sequestration (GCS) is an essential building block of the global strategy to
alleviate greenhouse gas emissions and mitigate the climate change. Injecting CO 2 into the …

A comparative study of shale oil transport behavior in graphene and kerogen nanopores with various roughness via molecular dynamics simulations

S Zhan, J Bao, X Wang, W Wang, Y Su, M Zhang… - Chemical Engineering …, 2024‏ - Elsevier
Understanding the transport behavior of molecules within nanopores is crucial in various
fields, including nanofluidic, bioengineering and geophysics. To elucidate oil flow within …

CO2-regulated octane flow in calcite nanopores from molecular perspectives

W Zhang, Q Feng, S Wang, X **ng, Z ** - Fuel, 2021‏ - Elsevier
Enhanced hydrocarbon recovery from shale/tight reservoirs by CO 2 injection has gained
extensive attentions in recent years. However, the effect of CO 2 on oil flow in shale/tight …

Molecular Dynamics Study on CO2 Storage in Water-Filled Kerogen Nanopores in Shale Reservoirs: Effects of Kerogen Maturity and Pore Size

W Li, M Zhang, Y Nan, W Pang, Z ** - Langmuir, 2020‏ - ACS Publications
CO2 sequestration in shale reservoirs is an economically viable option to alleviate carbon
emission. Kerogen, a major component in the organic matter in shale, is associated with a …