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Experimental and Simulation Study on Hydroxyl Group Promoting Low-Temperature Oxidation of Active Groups in Coal

Xun Zhang,Bing Lu,Jing Zhang,Xiang Fu,Hanzhong Deng,Ling Qiao,Cong Ding,Fei Gao

FUEL（2023）

Cited 45|Views12
Key words
Coal,Low-temperature oxidation,Hydroxyl group,Active group,Reactive force field (Reaxff) molecular dynamics (MD),Quantum chemistry theory
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