In silico study on thermal decomposition of polystyrene tetramer model compound
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Date
2022-06
Journal Title
Journal ISSN
Volume Title
Publisher
Institute of Chemistry Ceylon
Abstract
The studies on the pyrolysis processes aid the development and use of pyrolysis technology for waste plastics. The present study investigated the thermal decomposition mechanism of the tetramer model compound of polystyrene by employing the density functional theory method at B3LYP/6-31G (d) level of theory.
Description
Abstract No: TC 31
Page 46-47
Keywords
polystyrene, density functional theory, thermal degradation, bond dissociation energy, pyrolysis