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ReaxFF reactive molecular dynamic and density functional theory study on the co-pyrolysis mechanism of waste 1,1,1,2-tetrafluoroethane and waste plastics to produce high value-added chemicals and fuels

Mengna Bai, Erguang Huo, Jiaming Wang, Qingfa Zhang, Shukun Wang, Shouyin Cai, Shijie Zhang

2024Energy17 citationsDOI

Topics & Concepts

PyrolysisChemistryPolyethyleneHigh-density polyethyleneOrganic chemistryChemical engineeringWaste managementEngineeringAtmospheric chemistry and aerosolsEnergy, Environment, and Transportation Policies
ReaxFF reactive molecular dynamic and density functional theory study on the co-pyrolysis mechanism of waste 1,1,1,2-tetrafluoroethane and waste plastics to produce high value-added chemicals and fuels | Litcius