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Solvent influence on cationic copolymerization — Part II. Model calculations of the solvent influence on the cationic copolymerization of ethene and isobutene

✍ Scribed by M. Bölke; P. Hallpap; G. Heublein; C. Weiss

Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
294 KB
Volume
24
Category
Article
ISSN
0014-3057

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✦ Synopsis

Al~tract--The influence of solvent on cationic copolymerization, modelled by ethene/isobutene copolymerization, is investigated by theoretical methods. Solvent influence was simulated by a continuum model after gas phase calculations at the MINDO/3 level. Characteristic changes, caused by the transition from the gas phase to solution (solvent: CH2C12) were obtained, e.g. an increase of activation barriers and decrease of energy gains of the competing propagation reactions. The quotient of reactivity ratios r2/q (1---ethene; 2--isobutene) decreases on changing the copolymerization system to a more polar solvent.

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