A Quantum Chemical Calculation Study on Crosslinking Reaction Mechanism of Polyphenylene Sulfide
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Abstract:
Ab initio calculation method and static theory are employed to study crosslinking mechanism of polyphenylene sulfide (PPS). Reaction trends of thermal crosslinking and crosslinked structures of PPS are discussed with the ab initio calculation results of PPS model and probable free radical models. And it is proved that oxygen plays an important role in the crosslinking reactions.