Phosphoric and phosphoramidic acids as bifunctional catalysts for the ring-opening polymerization of ε-caprolactone: a combined experimental and theoretical study

2011 ◽  
Vol 2 (10) ◽  
pp. 2249 ◽  
Author(s):  
Damien Delcroix ◽  
Aline Couffin ◽  
Nicolas Susperregui ◽  
Christophe Navarro ◽  
Laurent Maron ◽  
...  
Keyword(s):  
Ring Opening ◽  
Theoretical Study ◽  
Ring Opening Polymerization ◽  
Bifunctional Catalysts

The Radical Ring-Opening Polymerization of Cyclic Ketene Acetals Revisited: An Experimental and Theoretical Study

2020 ◽  
Author(s):  
Antoine Tardy ◽  
Noémie Gil ◽  
Christopher M. Plummer ◽  
Didier Siri ◽  
Didier Gigmes ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Radical Polymerization ◽  
Kinetic Modeling ◽  
In Silico ◽  
Ring Opening ◽  
Theoretical Study ◽  
Ring Opening Polymerization ◽  
Radical Ring ◽  
Cyclic Ketene Acetals ◽  
Ketene Acetals

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>

Mechanism of Ring-Opening Polymerization of 1,5-Dioxepan-2-one andl-Lactide with Stannous 2-Ethylhexanoate. A Theoretical Study

2001 ◽  
Vol 34 (12) ◽  
pp. 3877-3881 ◽  
Author(s):  
Maria Ryner ◽  
Kajsa Stridsberg ◽  
Ann-Christine Albertsson ◽  
Henrik von Schenck ◽  
Mats Svensson
Keyword(s):  
Ring Opening ◽  
Theoretical Study ◽  
Ring Opening Polymerization

Theoretical Study on the Ring-Opening Polymerization of ε-Caprolactone by [YMeX(THF)5]+with X = BH4, NMe2

2011 ◽  
Vol 30 (6) ◽  
pp. 1326-1333 ◽  
Author(s):  
Nicolas Susperregui ◽  
Mathias U. Kramer ◽  
Jun Okuda ◽  
Laurent Maron
Keyword(s):  
Ring Opening ◽  
Theoretical Study ◽  
Ring Opening Polymerization

Near-to-eutectic mixtures as bifunctional catalysts in the low-temperature-ring-opening-polymerization of ε-caprolactone

2015 ◽  
Vol 17 (6) ◽  
pp. 3632-3643 ◽  
Author(s):  
Sara García-Argüelles ◽  
Carolina García ◽  
María C. Serrano ◽  
María C. Gutiérrez ◽  
M. Luisa Ferrer ◽  
...  
Keyword(s):  
Low Temperature ◽  
Ring Opening ◽  
Methanesulfonic Acid ◽  
Ring Opening Polymerization ◽  
Bifunctional Catalysts ◽  
Eutectic Mixtures

We have investigated the ring-opening polymerization (ROP) of ε-caprolactone using mixtures of methanesulfonic acid and the guanidine 1,5,7-triazabicyclo[4.4.0]dec-5-ene as the catalyst.

Theoretical study on the mechanism and kinetics of ring-opening polymerization of cyclic esters initiated by tin(II) n-butoxide

2014 ◽  
Vol 1044 ◽  
pp. 29-35 ◽  
Author(s):  
Chanchai Sattayanon ◽  
Watit Sontising ◽  
Jitrayut Jitonnom ◽  
Puttinan Meepowpan ◽  
Winita Punyodom ◽  
...  
Keyword(s):  
Ring Opening ◽  
Theoretical Study ◽  
Ring Opening Polymerization ◽  
Cyclic Esters ◽  
Mechanism And Kinetics ◽  
Kinetics Of

Catalytic insights into acid/base conjugates: highly selective bifunctional catalysts for the ring-opening polymerization of lactide

2011 ◽  
Vol 47 (11) ◽  
pp. 3105 ◽  
Author(s):  
Daniel J. Coady ◽  
Kazuki Fukushima ◽  
Hans W. Horn ◽  
Julia E. Rice ◽  
James L. Hedrick
Keyword(s):  
Ring Opening ◽  
Ring Opening Polymerization ◽  
Bifunctional Catalysts ◽  
Acid Base

The Radical Ring-Opening Polymerization of Cyclic Ketene Acetals Revisited: An Experimental and Theoretical Study

2020 ◽  
Author(s):  
Antoine Tardy ◽  
Noémie Gil ◽  
Christopher M. Plummer ◽  
Didier Siri ◽  
Didier Gigmes ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Radical Polymerization ◽  
Kinetic Modeling ◽  
In Silico ◽  
Ring Opening ◽  
Theoretical Study ◽  
Ring Opening Polymerization ◽  
Radical Ring ◽  
Cyclic Ketene Acetals ◽  
Ketene Acetals

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>

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