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Multi-chain slip-spring simulations for polyisoprene melts
Korea-Australia Rheology Journal ( IF 1.3 ) Pub Date : 2019-11-25 , DOI: 10.1007/s13367-019-0024-3
Yuichi Masubuchi , Takashi Uneyama

The multi-chain slip-spring (MCSS) model is a coarse-grained molecular model developed for efficient simulations of the dynamics of entangled polymers. In this study, we examined the model for the viscoelasticity of polyisoprene (PI) melts, for which the data are available in the literature. We determined the conversion factor for the molecular weight from the fitting of the molecular weight dependence of zero-shear viscosity. According to the obtained value, we calculated the linear viscoelasticity of several linear PI melts to determine the units of time and modulus. Based on the conversion factors thus determined, we predicted linear viscoelasticity of 6-arm star PI melts, and viscosity growth under high shear for linear PI melts. The predictions were in good agreement with the data, demonstrating the validity of the method. The conversion factors determined were consistent with those reported for polystyrene melts earlier, whereas the relations between the conversion factors are still unknown.

中文翻译:

聚异戊二烯熔体的多链滑移弹簧模拟

多链滑移弹簧(MCSS)模型是为有效模拟缠结聚合物动力学而开发的粗粒度分子模型。在这项研究中,我们检查了聚异戊二烯(PI)熔体的粘弹性模型,其数据可在文献中获得。我们通过零剪切粘度的分子量依赖性拟合确定了分子量的转换因子。根据获得的值,我们计算了几种线性PI熔体的线性粘弹性,以确定时间和模量的单位。基于由此确定的转换因子,我们预测了六臂星形PI熔体的线性粘弹性,以及线性PI熔体在高剪切下的粘度增长。这些预测与数据非常吻合,证明了该方法的有效性。
更新日期:2019-11-25
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