Mechanistic insights on 1-butene polymerization catalyzed by homogeneous single-site catalysts: a DFT computational study.

ABSTRACT: Isotactic poly (1-butene) (iPB) is an interesting semi-crystalline thermoplastic material characterized by notable physical and mechanical attributes encompassing superior creep and stress resistance, elevated toughness, stiffness, and thermal endurance. These distinctive features position iPB as a viable candidate for specific applications; however, its widespread utilization is hindered by certain inherent limitations. Indeed, iPB manifests an intricate polymorphic behavior, and the gradual and spontaneous transition of the kinetically favored form II to the thermodynamically favored form I during aging introduces alterations to the material's properties. Despite its potential, the attainment of iPB with an exceedingly high molecular mass remains elusive, particularly when employing homo

SUBMITTER: D'Anania O 

PROVIDER: S-EPMC10965545 | biostudies-literature | 2024

REPOSITORIES: biostudies-literature