scholarly journals DFT-calculation-assisted prediction of the copolymerization between cyclic ketene acetals and traditional vinyl monomers

2020 ◽  
Vol 11 (45) ◽  
pp. 7159-7169
Author(s):  
Antoine Tardy ◽  
Noémie Gil ◽  
Christopher M. Plummer ◽  
Chen Zhu ◽  
Simon Harrisson ◽  
...  

The ring-opening polymerization of cyclic ketene acetals (CKAs) and vinyl monomers is an elegant method to produce degradable copolymers. Owing to DFT calculations, we are now able to better understand the reactivity of CKAs & common vinyl monomers.

2020 ◽  
Author(s):  
Antoine Tardy ◽  
Noémie Gil ◽  
Christopher M. Plummer ◽  
Didier Siri ◽  
Didier Gigmes ◽  
...  

Radical Ring-Opening polymerization (rROP) of Cyclic Ketene Acetals (CKAs) combines the advantages of both ring-opening and radical polymerization thereby allowing the robust production of polyesters. In this article we investigate in detail the radical ring-opening polymerization of model CKA monomers and demonstrate by the combination of DFT calculations and kinetic modeling using PREDICI software that we are now able to predict <i>in silico</i> the ring-opening ability of CKA monomers<br>


2020 ◽  
Author(s):  
Antoine Tardy ◽  
Noémie Gil ◽  
Christopher M. Plummer ◽  
Didier Siri ◽  
Didier Gigmes ◽  
...  

Radical Ring-Opening polymerization (rROP) of Cyclic Ketene Acetals (CKAs) combines the advantages of both ring-opening and radical polymerization thereby allowing the robust production of polyesters. In this article we investigate in detail the radical ring-opening polymerization of model CKA monomers and demonstrate by the combination of DFT calculations and kinetic modeling using PREDICI software that we are now able to predict <i>in silico</i> the ring-opening ability of CKA monomers<br>


2013 ◽  
Vol 4 (17) ◽  
pp. 4776 ◽  
Author(s):  
Antoine Tardy ◽  
Vianney Delplace ◽  
Didier Siri ◽  
Catherine Lefay ◽  
Simon Harrisson ◽  
...  

2020 ◽  
Vol 11 (21) ◽  
pp. 3525-3545 ◽  
Author(s):  
Alexander W. Jackson

This review discusses the history of reversible-deactivation radical ring-opening polymerization of cyclic ketene acetals, focusing on the preparation of degradable complex polymeric architectures.


1991 ◽  
Vol 42-43 (1) ◽  
pp. 195-203 ◽  
Author(s):  
William J. Bailey ◽  
Jia-Ming Gu ◽  
Yin-Nian Lin ◽  
Zhi-Feng Zheng ◽  
Lin-Lin Zhou

2018 ◽  
Vol 51 (14) ◽  
pp. 5079-5084 ◽  
Author(s):  
Megan R. Hill ◽  
Tomohiro Kubo ◽  
Sofia L. Goodrich ◽  
C. Adrian Figg ◽  
Brent S. Sumerlin

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