Molecular simulation study on multicomponent competitive adsorption of CH4, CO2, and H2O in coal
Qun Cheng, Yan Liu, Cen Chen, Can Yang, Shiyun Wei, Ruiying Zhu, Yang Chen, Songze Li · 2026
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Description
Qun Cheng and co-authors simulate how three gases compete for space inside coal, in a 2026 study. Coal has uneven pores and varied surfaces, so gases stick to it in tangled ways. The gases here are methane, carbon dioxide, and water vapor. How they compete matters for gas recovery and carbon storage, yet the molecular picture was unclear.
Simulations placed gas mixes on two coal components, inertinite and vitrinite. Carbon dioxide share in the gas was raised step by step. Methane held the surface in every case by a wide margin. Carbon dioxide stuck weakly, gaining ground only at high loading. Water shaped the electric setting of the surface most strongly. The results explain why displacing methane with carbon dioxide is hard.
Catalog record
| CREATOR | Qun Cheng, Yan Liu, Cen Chen, Can Yang, Shiyun Wei, Ruiying Zhu, Yang Chen, Songze Li |
|---|---|
| YEAR | 2026 |
| COLLECTION | PAPERS |
| FORMAT | TXT |
| FILE SIZE | 66 KB |
| VERSION | 1.0 |
| LICENSE | CC BY 4.0 |
| RIGHTS | CC BY |
| SOURCE | Europe PMC |