Atomistic insights into formaldehyde (HCHO) high-temperature treatment and syngas production via ReaxFF MD simulations
Yang Yu, Reo Kai, Hiroaki Watanabe
Topics & Concepts
ReaxFFSyngasFormaldehydeMolecular dynamicsChemical engineeringMaterials scienceChemistryCatalysisComputational chemistryEngineeringOrganic chemistryInteratomic potentialCatalysis and Oxidation ReactionsSubcritical and Supercritical Water ProcessesCatalytic Processes in Materials Science