Litcius/Paper detail

The reaction mechanism and sulfur evolution during vulcanized nature rubber pyrolysis in the atmosphere of H2O: A ReaxFF molecular dynamics study

Jiaxing Du, Jie Yu, Lei Qiao, Tomás Ramı́rez Reina, Lushi Sun

2022Polymer Degradation and Stability20 citationsDOI

Topics & Concepts

VulcanizationReaxFFPyrolysisProduct distributionSulfurChemistryChemical engineeringNatural rubberReaction mechanismMoleculeDecompositionMolecular dynamicsRadicalMaterials scienceOrganic chemistryPolymer chemistryComputational chemistryCatalysisEngineeringHydrogen bondLignin and Wood ChemistryThermochemical Biomass Conversion ProcessesPolymer crystallization and properties
The reaction mechanism and sulfur evolution during vulcanized nature rubber pyrolysis in the atmosphere of H2O: A ReaxFF molecular dynamics study | Litcius