Random copolymer of styrene and diene derivatives <i>via</i> anionic living polymerization followed by intramolecular Friedel–Crafts cyclization for high-performance thermoplastics

Nakahara, Atsuhiro; Satoh, Kotaro; Kamigaito, Masami

doi:10.1039/c1py00433f

Cited by 19 publications

(25 citation statements)

References 28 publications

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“…Increasing efforts have been made to prepare high‐temperature hydrocarbon polymers in recent years. These strategies have involved: 1) the enhancement of the tacticity of the polymer chain, 2) the incorporation of bulky pendant groups in the side chain, and 3) the introduction of cyclic structures in the main chain . However, the fabrication of hydrocarbon polymers with high service temperature (Tg > 250 °C) remains a challenge.…”

Section: Methodsmentioning

confidence: 99%

Extremely High Glass Transition Temperature Hydrocarbon Polymers Prepared through Cationic Cyclization of Highly 3,4‐Regulated Poly(Phenyl‐1,3‐Butadiene)

Cai

Zuo

et al. 2018

Macromol. Rapid Commun.

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A simple approach to synthesize extremely high glass transition temperature (Tg > 300 °C) hydrocarbon polymers that introduces bridged cyclic backbone and bulky pendant group simultaneously is reported. This method uses highly 3,4-regulated poly(phenyl-1,3-butadiene) as a prepolymer for cationic cyclization postmodification. The Tg of cyclized highly 3,4-regulated (94.0%) poly(1-phenyl-1,3-butadiene) (P(1-PB)) can reach 304 °C. To further restrict the movement of bridged cyclic backbone by changing the position of the pendant substituent group, highly 3,4-regulated (96.2%) poly(2-phenyl-1,3-butadiene) (P(2-PB)) is used as the prepolymer. The Tg of its cyclized product reaches 325 °C, and this value is the highest ever reported among all hydrocarbon polymers. The results indicate that the regularity of poly(phenyl-1,3-butadiene) and the pendant substituent group are crucial factors when synthesizing high-temperature hydrocarbon polymers through this approach.

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Section: Methodsmentioning

confidence: 99%

Extremely High Glass Transition Temperature Hydrocarbon Polymers Prepared through Cationic Cyclization of Highly 3,4‐Regulated Poly(Phenyl‐1,3‐Butadiene)

Cai

Zuo

et al. 2018

Macromol. Rapid Commun.

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“…We synthesized three copolymers, P1, P2 and P3 (Table , bottom, and Supplementary Table S2, Supporting Information), which were composed of two macromers with different ratios of styrene (PS) and isoprene (PI) . A more detailed description of the synthesis and characterization data of the copolymers (Fig.…”

Section: Methodsmentioning

confidence: 99%

Abundance correction for mass discrimination effects in polymer mass spectra

Engler

Crotty

Barthel

et al. 2016

Rapid Comm Mass Spectrometry

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“…For example, different experimental strategies have been developed to synthesize high-temperature hydrocarbon polymers, such as (1) enhancement of the tacticity of the polymer chains, 8 , 9 (2) introduction of bulky pendant groups into the side chain, 10 , 11 , 12 and (3) incorporation of cyclic structures into the backbone chain. 13 , 14 , 15 Nevertheless, this Edisonian approach is often costly, slow, biased toward certain chemical space domains, and limited to relatively small-scale studies, which may easily miss promising compounds. 16 Thus, a robust and reliable high-throughput screening method is essential for the discovery and design of high-temperature polymers.…”

Section: Introductionmentioning

confidence: 99%

Machine learning discovery of high-temperature polymers

Tao

Chen

2021

Patterns

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Summary To formulate a machine learning (ML) model to establish the polymer's structure-property correlation for glass transition temperature , we collect a diverse set of nearly 13,000 real homopolymers from the largest polymer database, PoLyInfo. We train the deep neural network (DNN) model with 6,923 experimental values using Morgan fingerprint representations of chemical structures for these polymers. Interestingly, the trained DNN model can reasonably predict the unknown values of polymers with distinct molecular structures, in comparison with molecular dynamics simulations and experimental results. With the validated transferability and generalization ability, the ML model is utilized for high-throughput screening of nearly one million hypothetical polymers. We identify more than 65,000 promising candidates with > 200°C, which is 30 times more than existing known high-temperature polymers (∼2,000 from PoLyInfo). The discovery of this large number of promising candidates will be of significant interest in the development and design of high-temperature polymers.

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Random copolymer of styrene and diene derivatives via anionic living polymerization followed by intramolecular Friedel–Crafts cyclization for high-performance thermoplastics

Abstract: Rubbery random copolymers of styrenes and dienes prepared via anionic living polymerizations were intramolecularly cyclized into high-performance thermoplastics.

Cited by 19 publications

References 28 publications

Extremely High Glass Transition Temperature Hydrocarbon Polymers Prepared through Cationic Cyclization of Highly 3,4‐Regulated Poly(Phenyl‐1,3‐Butadiene)

Extremely High Glass Transition Temperature Hydrocarbon Polymers Prepared through Cationic Cyclization of Highly 3,4‐Regulated Poly(Phenyl‐1,3‐Butadiene)

Abundance correction for mass discrimination effects in polymer mass spectra

Machine learning discovery of high-temperature polymers

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