Revealing the reaction mechanism and kinetics of Yangquan anthracite under varying oxygen levels via the integration of ReaxFF-MD and DFT

Chemical Engineering Science 2026

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Authors: Yihao Yao, Haitao Li, Minggao Yu

DOI: 10.1016/j.ces.2026.124492

Cited by: 1

References: 49

Fields of Study & Subjects

Coal Properties and Utilization Iron and Steelmaking Processes Chemical Looping and Thermochemical Processes

References 49