ReaxFF molecular dynamics study on nitrogen-transfer mechanism in the hydropyrolysis process of lignite
Jieping Wang, Yanni Wang, Guang‐Yue Li, Zi-Zhao Ding, Qiang Lü, Yinghua Liang
Topics & Concepts
ReaxFFChemistryNitrogenPyrolysisMolecular dynamicsDecompositionAmine gas treatingComputational chemistryOrganic chemistryInteratomic potentialThermochemical Biomass Conversion ProcessesPetroleum Processing and AnalysisCoal Properties and Utilization