Experimental investigation and ReaxFF simulation on pore structure evolution mechanism during coalification of coal macromolecules in different ranks
Abstract This analysis revealed the alterations in the pore structure of large organic molecules in coal during the process of coal pyrolysis. Nine models of macromolecular structures in coals, representing distinct coal ranks, have been built. The research results show that along with the increasin...
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| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2024-12-01
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| Series: | Scientific Reports |
| Subjects: | |
| Online Access: | https://doi.org/10.1038/s41598-024-80520-0 |
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