Computational and Experimental Study on the Mechanism of CO2 Production during Photo-Oxidative Degradation of Poly(butylene adipate-co-terephthalate): Differences between PBA and PBT Segments
Xiangze Meng,
Yan Ye,
Rui Yang
Abstract:As an important polymer in conventional applications, the service stability and biodegradability of poly(butylene adipate-co-terephthalate) (PBAT) have been well explored. However, the CO 2 production mechanism during the photooxidation process remains unclear. Herein, CO 2 production pathways in the photo-oxidative degradation of PBAT were investigated via calculations and experiments. A simulation strategy was established based on time-dependent density functional theory, and results show that ultraviolet (U… Show more
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