Reaction mechanism of stearic acid pyrolysis via reactive molecular dynamics simulation and TG-IR technology
Yun Zhang, Chuanbiao Zhang, Wenjuan Li, Qiuping Xiao, Fengyuan Jiao, Sen Xu, Yanhua Lan, Yizheng Fu, Chi‐Min Shu, Weiguo Cao
Topics & Concepts
Stearic acidReaxFFThermogravimetric analysisPyrolysisChemistryMolecular dynamicsChemical engineeringOrganic chemistryReaction mechanismMoleculeComputational chemistryCatalysisEngineeringHydrogen bondEnergetic Materials and CombustionCombustion and Detonation Processes