Modeling of multi-scale transport phenomena in shale gas production—a critical review

H Wang, L Chen, Z Qu, Y Yin, Q Kang, B Yu, WQ Tao - Applied Energy, 2020 - Elsevier
Shale gas, although unconventional, is a prospective clean energy source. Shale gas
production is a complex multi-scale process with its spatial size ranging from the nanoscale …

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 …

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 …

Molecular simulation of gas adsorption in shale nanopores: A critical review

T Wang, S Tian, G Li, L Zhang, M Sheng… - … and Sustainable Energy …, 2021 - Elsevier
Shale gas is a promising alternative energy due to the advantages of large reserves and
high energy efficiency. The amount of adsorbed gas in shale nanopores is a significant …

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 …

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 …

Molecular simulation on H2 adsorption in nanopores and effects of cushion gas: Implications for underground hydrogen storage in shale reservoirs

M Zhang, Y Yang, B Pan, Z Liu, Z Jin, S Iglauer - Fuel, 2024 - Elsevier
Abstract Hydrogen (H 2), a renewable and clean energy source, plays an important role in
the implementation of a low-carbon economy; however, hydrogen storage is challenging …

Review of molecular simulation method for gas adsorption/desorption and diffusion in shale matrix

H Wang, Z Qu, Y Yin, J Bai, B Yu - Journal of Thermal Science, 2019 - Springer
Shale gas is becoming an increasingly promising alternative energy resource because of its
high efficiency and environment-friendly characteristic. The amount of adsorbed gas on the …

Development of atomistic kerogen models and their applications for gas adsorption and diffusion: a mini-review

A Obliger, C Bousige, B Coasne, JM Leyssale - Energy & Fuels, 2023 - ACS Publications
With the emergence of shale gas, numerous atomic-scale models of kerogen have been
proposed in the literature. These models, which attempt to capture the structure, chemistry …

Molecular simulation on CO2/H2S co-adsorption in organic and inorganic shale nanopores

M Zhang, Z Liu, B Pan, S Iglauer, Z Jin - Applied Surface Science, 2023 - Elsevier
Geological CO 2 sequestration (GCS) in depleted shale reservoirs is recognized as one of
promising techniques to mitigate CO 2 emissions, while the high cost of CO 2 purification …