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Monte Carlo Simulation of Polymer Reactions at Interfaces

✍ Scribed by Andreas John; Jürgen Nagel; Gert Heinrich

Publisher
John Wiley and Sons
Year
2007
Tongue
English
Weight
241 KB
Volume
16
Category
Article
ISSN
1022-1344

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✦ Synopsis

Abstract

Adhesion of immiscible polymers during two‐component injection moulding may be improved by transreactions of properly functionalised components. We performed MC simulations based on the three‐dimensional coarse‐grained bond fluctuation model (BFM) including a thermal interaction potential in $r \leq \sqrt{6}$ with energy $\varepsilon = \pm 0.1,k_{\rm B} T$ to characterise the behaviour of several selected types of chemical reactions, which are governed by activation energies of E~A~ = 0, 1, 3 and 5 k~B~T. The consumption of reactive monomers for all the reactions in the time interval below the Rouse time τ~R~ exhibits a typical crossover from a kinetic‐controlled to a diffusion‐controlled behaviour and can be described by a bimolecular kinetic ansatz.

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