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2001•CHIMIA International Journal for ChemistryOpen access

The Influence of Branching Architecture on Scission in Modeling Free-Radical Polymerization with Long Chain Branching and Scission

Piet D. Iedema, Huub C. J. Hoefsloot

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Abstract

In modeling molecular weight (MWD) and degree of branching (DBD) distribution for radical polymerization systems, assumptions have to be made concerning the length and the number of branches of fragments from scission reactions. The linear-chain approximation with respect to scission kinetics usually applied is shown to be incorrect. A new method is proposed based on a mechanistic model predicting architectures. It is shown that a simple short/long chain fragment scission assumption significantly changes the predicted MWD.

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In modeling molecular weight (MWD) and degree of branching (DBD) distribution for radical polymerization systems, assumptions have to be made concerning the length and the number of branches of fragments from scission reactions. The linear-chain approximation with respect to scission kinetics usually applied is shown to be incorrect. A new method is proposed based on a mechanistic model predicting architectures. It is shown that a simple short/long chain fragment scission assumption significantly changes the predicted MWD.

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Available abstract

In modeling molecular weight (MWD) and degree of branching (DBD) distribution for radical polymerization systems, assumptions have to be made concerning the length and the number of branches of fragments from scission reactions. The linear-chain approximation with respect to scission kinetics usually applied is shown to be incorrect. A new method is proposed based on a mechanistic model predicting architectures. It is shown that a simple short/long chain fragment scission assumption significantly changes the predicted MWD.

Key concepts: Branching (polymer chemistry), Bond cleavage, Chain scission, Beta scission, Chemistry, Polymerization, Radical polymerization, Degree of polymerization

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