Insights into the thermal degradation mechanisms of polyethylene terephthalate dimer using DFT method
Jinbao Huang, Hanxian Meng, Xiaosong Luo, Xin Mu, Weiwei Xu, Li Jin, Baosheng Lai
Topics & Concepts
Terephthalic acidDimerHomolysisPolyethylene terephthalateDecarboxylationDecarbonylationBond cleavageTransition stateThermal decompositionDissociation (chemistry)Density functional theoryChemistryDecompositionPhotochemistryChemical decompositionPolymer chemistryPolyesterBond-dissociation energyMaterials scienceComputational chemistryPhysical chemistryOrganic chemistryRadicalCatalysisComposite materialPolymer crystallization and propertiesThermal and Kinetic AnalysisMicroplastics and Plastic Pollution