A review on shale oil and gas characteristics and molecular dynamics simulation for the fluid behavior in shale pore

S Sun, S Liang, Y Liu, D Liu, M Gao, Y Tian… - Journal of Molecular …, 2023 - Elsevier
Shale oil and gas primarily exist in nanoscale pore-fracture networks. Thus, it is essential to
clarify the flow behavior of hydrocarbon in confined nanopores. This paper summarizes …

[HTML][HTML] Experimental studies, molecular simulation and process modelling\simulation of adsorption-based post-combustion carbon capture for power plants: A state …

TE Akinola, PLB Prado, M Wang - Applied Energy, 2022 - Elsevier
Adsorption-based post-combustion carbon capture is a promising emerging technology for
capturing CO 2 emissions from fossil-fueled power plants due to the ease of adsorbent …

Displacement Characteristics of CO2 to CH4 in Heterogeneous Surface Slit Pores

J Sun, Z Chen, X Wang, Y Zhang, Y Qin, C Chen… - Energy & …, 2023 - ACS Publications
Studying the CO2–CH4 displacement process is of great importance to understand the CO2-
enhanced shale gas recovery technology. However, most studies have focused on the gas …

Water distribution characteristic and effect on methane adsorption capacity in shale clay

J Li, X Li, X Wang, Y Li, K Wu, J Shi, L Yang… - International Journal of …, 2016 - Elsevier
Methane adsorption in shale is a gas–liquid–solid interaction rather than a gas–solid
interaction by considering the initial water saturation in actual condition. As an important …

Adsorption of methane in organic-rich shale nanopores: An experimental and molecular simulation study

J Xiong, X Liu, L Liang, Q Zeng - Fuel, 2017 - Elsevier
In this article, the adsorption behaviors of methane on organic-rich shales were investigated
through experimental and molecular simulation. The results showed that the methane …

Characterization of methane excess and absolute adsorption in various clay nanopores from molecular simulation

Y Tian, C Yan, Z Jin - Scientific reports, 2017 - nature.com
In this work, we use grand canonical Monte Carlo (GCMC) simulation to study methane
adsorption in various clay nanopores and analyze different approaches to characterize the …

Thermodynamic modeling of phase behavior in shale media

Z Jin, A Firoozabadi - Spe Journal, 2016 - onepetro.org
In conventional permeable media, once pore volume (PV) is known, the amount of fluid-in-
place can be estimated. This is because the fluid is locally homogeneous, pores are …

Methane adsorption and self-diffusion in shale kerogen and slit nanopores by molecular simulations

S Tesson, A Firoozabadi - The Journal of Physical Chemistry C, 2018 - ACS Publications
Shale gas has redefined the energy landscape in the world. The scientific community makes
efforts to exploit shale gas resources with minimum environmental impact. Shale gas is …

Effect of water on methane and carbon dioxide sorption in clay minerals by Monte Carlo simulations

Z Jin, A Firoozabadi - Fluid Phase Equilibria, 2014 - Elsevier
Shale is mainly composed of:(1) inorganic, and (2) organic materials. As an important
constituent of inorganic matter, clay minerals may affect gas-in-place of shale permeable …

Molecular simulation study of oil-water two-phase fluid transport in shale inorganic nanopores

W Zhang, Q Feng, Z Jin, X Xing, S Wang - Chemical Engineering Science, 2021 - Elsevier
The moisture contents have significant effects on shale gas and oil adsorption and transport.
In this study, the oil–water two-phase occurrence state and fluid transport in shale inorganic …