Cyclization in Hyperbranched Polymerization System of ABg Type†

doi:10.7503/cjcu20150236

Abstract

Abstract:

The effect of cyclization on the average properties of hyperbranched polymers formed in the polymerization system of AB_g type was investigated by the method of Monte Carlo simulation. In the system of interest with cyclization, a set of differential kinetic equations based on the generation growth of polymers was given. The simulation is then performed by using the intermolecular and intramolecular reaction rates deduced from the principle of statistical mechanics. Specifically, the number of treelike and cyclic polymers, the number of loops, size distribution, the number- and weight-average molecular weights were given. Furthermore, the effect of cyclization on the average properties of polymers was discussed. It is shown that the volume fraction of monomers plays an important role in cyclization, which determines whether the influence of solvent quality and functionality is significant or not. As a result, the cyclization depends in essence on the cooperation of the above three factors. It is expected that the present study is helpful to design the related materials.

Key words: Hyperbranched polymer, Cyclization effect, Solvent effect, Monte Carlo simulation

CLC Number:

O631
O641

TrendMD:

CHANG Peiyang, WANG Yunming, GU Fang, WANG Haijun. Cyclization in Hyperbranched Polymerization System of AB_g Type^†[J]. Chem. J. Chinese Universities, 2015, 36(8): 1627.

Figures/Tables 8

Fig.1 Plots of NR against p in AB2 system for α=0.5 and different ϕ

Fig.2 Plots of fR against p in AB2 system for α=0.5 and different ϕ

Fig.3 Plots of Mw against p in AB2 system for α=0.5 and different ϕ(dotted lines denote the corresponding plots without cyclization)

Fig.4 Plots of MBw and MRw against p in AB2 system for α=0.5 and varied ϕ

Fig.5 Plots of R(m) against p and m in AB2 system for α=0.5 and ϕ=0.1

Fig.6 Plots of NR against p in AB2 system for different ϕ and α

Fig.7 Plots of Mw against p in AB2 system for different ϕ and α

Fig.8 Plots of NR against p for different g and ϕ with α=0.4

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