Effect of oxygen functional groups on Water-Blocking effect in coal through DFT and MD simulation

Q Yang, X Zhang, X Qiao, Z Wang, R Zhang… - Journal of Molecular …, 2025 - Elsevier
The formation of water-locking effect (WBE) of coal with different metamorphic degree is
influenced by its functional groups. To investigate the impact of oxygen-containing functional …

Fluid Occurrence and Transport in Shale: The State of the Art

L Zhang, T Zhang, Y Zhao - Modelling in Nanoporous Shale: Gas-water …, 2024 - Springer
Compared to conventional fossil fuels, natural gas has the characteristics of low carbon
emissions, good economics, and large reserves. In recent decades, natural gas, especially …