Ab Initio Study of Free-Radical Polymerization:  Defect Structures in Poly(vinyl chloride)

2007 ◽  
Vol 40 (4) ◽  
pp. 1321-1331 ◽  
Author(s):  
Karen Van Cauter ◽  
Bart J. Van Den Bossche ◽  
Veronique Van Speybroeck ◽  
Michel Waroquier
ChemPhysChem ◽  
2006 ◽  
Vol 7 (1) ◽  
pp. 131-140 ◽  
Author(s):  
Karen Van Cauter ◽  
Veronique Van Speybroeck ◽  
Peter Vansteenkiste ◽  
Marie-Francoise Reyniers ◽  
Michel Waroquier

2008 ◽  
Vol 44 (10) ◽  
pp. 3177-3190 ◽  
Author(s):  
Carole Lainé ◽  
Véronique Bounor-Legaré ◽  
Christianne Monnet ◽  
Philippe Cassagnau

2004 ◽  
Vol 43 (20) ◽  
pp. 6382-6399 ◽  
Author(s):  
Apostolos Krallis ◽  
Costas Kotoulas ◽  
Stratos Papadopoulos ◽  
Costas Kiparissides ◽  
Jacques Bousquet ◽  
...  

The free radical polymerization of the vapours of vinyl chloride, acrylic nitrile, styrene, butadiene and methyl isopropenyl ketone has been investigated using methyl radicals from photo-decomposing acetone. Although all the reactions do not exhibit ideal behaviour it is possible by the application of kinetic methods to measure the ratio of the propagation to the termination coefficients for these polymerization reactions. In this way relative values of the quantitative tendency for a molecule to polymerize by a free radical mechanism can be computed.


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