Nano-molecular response of bituminous coal to ScCO₂ at different stage: Experiments and ReaxFF-MD/DFT insights
The interaction between supercritical CO₂ (ScCO₂) and coal alters the physicochemical properties of the coal in a staged manner. This study quantitatively investigates the nano-molecular structural response of bituminous to ScCO₂ exposure using a combination of experiments and ReaxFF-MD/DFT simulati...
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| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2025-11-01
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| Series: | Fuel Processing Technology |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S0378382025001298 |
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