Litcius/Paper detail

Reactive behaviors and mechanism of methane/coal dust hybrid explosions inhibited by NH4H2PO4 and (NH4)2HPO4: A combined ReaxFF-MD and DFT study

Jiachen Wang, Haitao Li, Shoutong Diao, Yihao Yao, Chengcai Wei, Minggao Yu

2024Chemical Engineering Journal54 citationsDOI

Topics & Concepts

ReaxFFMethaneMechanism (biology)CoalChemistryChemical engineeringMaterials scienceMolecular dynamicsChemical physicsComputational chemistryEngineeringPhysicsOrganic chemistryInteratomic potentialQuantum mechanicsCombustion and Detonation ProcessesEnergetic Materials and CombustionEarthquake Detection and Analysis
Reactive behaviors and mechanism of methane/coal dust hybrid explosions inhibited by NH4H2PO4 and (NH4)2HPO4: A combined ReaxFF-MD and DFT study | Litcius