Molecular representation and atomic-level coking evolution investigation of modified coal tar pitch via 13C NMR, MALDI-TOF-MS, SAXS, and ReaxFF MD
Zihan You, Jin Xiao, Gang Wang, Zhen Yao, Ye Wan, Qifan Zhong
Topics & Concepts
ReaxFFSmall-angle X-ray scatteringMaterials scienceCokeCarbon-13 NMRChemical engineeringCarbon fibersMolecular dynamicsCoal tarChemistryCoalAnalytical Chemistry (journal)Organic chemistryComputational chemistryScatteringComposite materialEngineeringComposite numberOpticsPhysicsInteratomic potentialFiber-reinforced polymer compositesThermochemical Biomass Conversion ProcessesCarbon Nanotubes in Composites