Unraveling tar formation mechanisms in pyrolysis of tar-rich and tar-containing coals: A combined ReaxFF MD and experimental study
Chuchu Wang, Chao Wang, Zhibing Chang, Yuliang Ma, Zhilong Zhou, Xinyue Wang, Hansen Huang, Shuqin Liu
Topics & Concepts
ChemistryReaxFFtar (computing)PyrolysisCoal tarCoalChemical engineeringHydrogenDry distillationReaction mechanismOrganic chemistryBond cleavageProduct distributionThermogravimetric analysisCrackingYield (engineering)Molecular dynamicsHydrogen bondCarbon fibersPhotochemistryCarbonizationUnderground coal gasificationFraction (chemistry)Thermochemical Biomass Conversion ProcessesCoal Properties and UtilizationFiber-reinforced polymer composites