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
Topics & Concepts
ReaxFFChemistryPyrolysisAlkylOxygenOrganic chemistryAsphalteneCoalMoleculeHydrogen bondThermochemical Biomass Conversion ProcessesPetroleum Processing and AnalysisCoal Properties and Utilization