Reactions at polymer interfaces: A Monte Carlo Simulation

Marcus Mueller

doi:10.1021/ma9619086

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arXiv · cond-mat/9707049

Reactions at polymer interfaces: A Monte Carlo Simulation

Marcus Mueller

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Abstract

Reactions at a strongly segregated interface of a symmetric binary polymer blend are investigated via Monte Carlo simulations. End functionalized homopolymers of different species interact at the interface instantaneously and irreversibly to form diblock copolymers. The simulations, in the framework of the bond fluctuation model, determine the time dependence of the copolymer production in the initial and intermediate time regime for small reactant concentration $ρ_0 R_g^3=0.163 ... 0.0406$. The results are compared to recent theories and simulation data of a simple reaction diffusion model. For the reactant concentration accessible in the simulation, no linear growth of the copolymer density is found in the initial regime, and a $\sqrt{t}$-law is observed in the intermediate stage.

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Marcus Mueller. 1997-07-04. Reactions at polymer interfaces: A Monte Carlo Simulation. https://doi.org/10.1021/ma9619086

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