Reactive force field molecular dynamics (ReaxFF-MD) simulation of lignite combustion under an external electric field
Minggao Yu, Rongyang Lou, Haitao Li, Fengchuan Wang, Jiachen Wang, Kai Wang
Topics & Concepts
ReaxFFCombustionChemistryMolecular dynamicsElectric fieldForce field (fiction)CokeMoleculeIntermolecular forceIntensity (physics)Chemical engineeringComputational chemistryOrganic chemistryPhysicsEngineeringInteratomic potentialQuantum mechanicsThermochemical Biomass Conversion ProcessesCombustion and Detonation ProcessesCoal Properties and Utilization