Nb and Ta benzotriazole or benzoxazole phenoxide complexes as catalysts for the ring-opening polymerization of glycidol to synthesize hyperbranched polyglycerols

2017 ◽  
Vol 46 (47) ◽  
pp. 16640-16654 ◽  
Author(s):  
Sreenath Pappuru ◽  
Debashis Chakraborty ◽  
Venkatachalam Ramkumar
Keyword(s):  
Ring Opening ◽  
Ring Opening Polymerization ◽  
New Approach ◽  
Trimethylol Propane

New approach for synthesizing hyper branched polyethers using organometallic Nb and Ta complexes as catalysts and trimethylol propane as initiator was demonstrated.

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
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