Investigation of initiator metal efficiency in ring‐opening polymerization of lactones: An experimental and computational study

2021 ◽  
Author(s):  
Sıla Gümüştaş ◽  
Mehmet Balcan ◽  
Armağan Kinal
Keyword(s):  
Ring Opening ◽  
Computational Study ◽  
Ring Opening Polymerization

A Computational Study of the Radical Ring-Opening Polymerization of Diphosphetanes

2010 ◽  
Vol 63 (8) ◽  
pp. 1189 ◽  
Author(s):  
Michelle L. Coote ◽  
Mansoor Namazian ◽  
S. Bruce Wild
Keyword(s):  
Ring Opening ◽  
Computational Study ◽  
Ring Opening Polymerization ◽  
Kinetic Stability ◽  
Radical Ring

Radical ring-opening of four-membered 1,3-diphosphetanes appears to be a facile process of similar propensity and mechanism to that of the parent phosphetanes, but the greater kinetic stability of the diphosphetanes could make them more attractive precursors for polymerization.

A Recommender System for Inverse Design of Polycarbonates and Polyesters

2020 ◽  
Author(s):  
Nathaniel Park ◽  
Dmitry Yu. Zubarev ◽  
James L. Hedrick ◽  
Vivien Kiyek ◽  
Christiaan Corbet ◽  
...  
Keyword(s):  
Ring Opening ◽  
High Performance ◽  
Recommendation System ◽  
Polymeric Materials ◽  
Monomer Conversion ◽  
Design Strategy ◽  
Ring Opening Polymerization ◽  
Inverse Design ◽  
False Negatives ◽  
Accelerate Development

The convergence of artificial intelligence and machine learning with material science holds significant promise to rapidly accelerate development timelines of new high-performance polymeric materials. Within this context, we report an inverse design strategy for polycarbonate and polyester discovery based on a recommendation system that proposes polymerization experiments that are likely to produce materials with targeted properties. Following recommendations of the system driven by the historical ring-opening polymerization results, we carried out experiments targeting specific ranges of monomer conversion and dispersity of the polymers obtained from cyclic lactones and carbonates. The results of the experiments were in close agreement with the recommendation targets with few false negatives or positives obtained for each class.<br>

Bisurea and Bisthiourea H-Bonding Organocatalysts for Ring-Opening Polymerization: Cues for the Catalyst Design

2019 ◽  
Vol 52 (23) ◽  
pp. 9232-9237 ◽  
Author(s):  
Rukshika S. Hewawasam ◽  
U. L. D. Inush Kalana ◽  
Nayanthara U. Dharmaratne ◽  
Thomas J. Wright ◽  
Timothy J. Bannin ◽  
...  
Keyword(s):  
Ring Opening ◽  
Ring Opening Polymerization ◽  
Catalyst Design

scholarly journals Controlled Ring-Opening Polymerization of O-Carboxyanhydrides to Synthesize Functionalized Poly(α-Hydroxy Acids)

2021 ◽  
Vol 03 (01) ◽  
pp. 041-050
Author(s):  
Xiaoqian Wang ◽  
Ai Lin Chin ◽  
Rong Tong
Keyword(s):  
Biomedical Engineering ◽  
Ring Opening ◽  
Ring Opening Polymerization ◽  
Metal Catalyst ◽  
Hydroxy Acids ◽  
Controlled Polymerization ◽  
Biodegradable Polyesters ◽  
Recent Advances

Poly(α-hydroxy acids), as a family of biodegradable polyesters, are valuable materials due to their broad applications in packaging, agriculture, and biomedical engineering. Herein we highlight and explore recent advances of catalysts in controlled ring-opening polymerization of O-carboxyanhydrides towards functionalized poly(α-hydroxy acids), especially metal catalyst-mediated controlled polymerization. Limitations of current polymerization strategies of O-carboxyanhydrides are discussed.

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