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Copyrolysis characteristics of polyvinyl chloride, polyethylene and polypropylene based on ReaxFF molecular simulation

Sijia Xu, Yuyan Hu, Mudassir Hussain Tahir, Weijie Hu, Pengfei Zhang, Yulin Tang

2023Computational and Theoretical Chemistry19 citationsDOI

Topics & Concepts

ChemistryPolyvinyl chlorideReaxFFPolypropylenePolyethyleneActivation energyChemical engineeringThermogravimetric analysisPolymer chemistryOrganic chemistryHydrogen bondMoleculeEngineeringPolymer Science and PVCPolymer crystallization and propertiesMicroplastics and Plastic Pollution