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Dynamic migration mechanism of organic oxygen in Fugu coal pyrolysis by large-scale ReaxFF molecular dynamics

Mingjie Gao, Xiaoxia Li, Xin Guo, Lei Chen, Laizhi Sun, Shuangxia Yang, Xinping Xie, Dongliang Hua

2021Journal of Analytical and Applied Pyrolysis37 citationsDOI

Topics & Concepts

ReaxFFChemistryPyrolysisAlkylOxygenOrganic chemistryAsphalteneCoalMoleculeHydrogen bondThermochemical Biomass Conversion ProcessesPetroleum Processing and AnalysisCoal Properties and Utilization
Dynamic migration mechanism of organic oxygen in Fugu coal pyrolysis by large-scale ReaxFF molecular dynamics | Litcius