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Towards designer polyolefins: highly tuneable olefin copolymerisation using a single permethylindenyl post-metallocene catalyst.

ABSTRACT: Using a highly active permethylindenyl-phenoxy (PHENI*) titanium catalyst, high to ultra-high molecular weight ethylene-linear-α-olefin (E/LAO) copolymers are prepared in high yields under mild conditions (2 bar, 30-90 °C). Controllable, efficient, and predictable comonomer enchainment provides access to a continuum of copolymer compositions and a vast range of material properties using a single monomer-agnostic catalyst. Multivariate statistical tools are employed that combine the tuneability of this system with the analytical and predictive power of data-derived models, this enables the targeting of polyolefins with designer properties directly through predictive alteration of reaction conditions.

SUBMITTER: Collins Rice CG

PROVIDER: S-EPMC10731910 | biostudies-literature | 2023 Dec

REPOSITORIES: biostudies-literature

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Towards designer polyolefins: highly tuneable olefin copolymerisation using a single permethylindenyl post-metallocene catalyst.

Collins Rice Clement G CG Morris Louis J LJ Buffet Jean-Charles JC Turner Zoë R ZR O'Hare Dermot D

Chemical science 20231206 1

Using a highly active permethylindenyl-phenoxy (PHENI*) titanium catalyst, high to ultra-high molecular weight ethylene-linear-α-olefin (E/LAO) copolymers are prepared in high yields under mild conditions (2 bar, 30-90 °C). Controllable, efficient, and predictable comonomer enchainment provides access to a continuum of copolymer compositions and a vast range of material properties using a single monomer-agnostic catalyst. Multivariate statistical tools are employed that combine the tuneability o ...[more]

PMID: 38131091

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Project description:In toluene at 50 °C, the vinyl addition polymerization of 4-vinyl-cyclohexene (VCH) comonomers with ethylene is investigated using symmetrical metallocene (rac-Et(Ind)2ZrCl2) combined with borate/TIBA. To demonstrate the polymerizations' living character, cyclic VCH with linear-exocyclicπ and endocyclicπ bonds produces monomodal polymers, but the dispersity (Ɖ) was broader. The copolymers obtained can be dissolved in conventional organic solvent and have excellent thermal stability and crystalline temperature (ΔHm), and their melting temperature (Tm) varies from 109 to 126 °C, and ΔHm ranges from 80 to 128 (J/g). Secondly, the distribution of polymeric catalysts engaged in polymer chain synthesis and the nature of the dormant state are two of the most essential yet fundamentally unknown aspects. Comprehensive and exhaustive kinetics of E/VCH have shown numerous different kinetic aspects that are interpreted as manifestations of polymeric catalysts or of the instability of several types of active center [Zr]/[C*] fluctuations and formation rates of chain propagation RpE, RpVCH, and propagation rate constants kpE and kpVCH, the quantitative relationship between RpE, RpVCH and kpE, kpVCH and catalyst structures, their constituent polymer Mw, and their reactivity response to the endocyclic and exocyclic bonds of VCH. The kinetic parameters RpE, RpVCH, kpE, and kpVCH, which are the apparent rates for the metallocene-catalyzed E/VCH, RpE, and kpE values, are much more significant than RpVCH and kpVCH at 120 s, RpE and RpVCH 39.63 and 0.78, and the kpE and kpVCH values are 6461 and 93 L/mol·s, respectively, and minor diffusion barriers are recommended in the early stages. Compared with previously reported PE, RpE and kpE values are 34.2 and 7080 L/mol·s. VCH increases the RpE in the initial stage, as we are expecting; this means that the exocyclic bond of VCH is more active at the initial level, and that the chain transfer reaction of cyclic internal π double is increased with the reaction time. The tp versus Rp, kp, and [Zr]/[C*] fraction count may be fitted to a model that invokes deactivation of growing polymer chains. At tp 120-360 s higher, the incorporation rate of VCH suppresses E insertion, resulting in reduced molecular weight.

Dataset Information

Towards designer polyolefins: highly tuneable olefin copolymerisation using a single permethylindenyl post-metallocene catalyst.

Publications

Towards designer polyolefins: highly tuneable olefin copolymerisation using a single permethylindenyl post-metallocene catalyst.

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