Coarse grain simulations of linear polymer melts for chain lengths near the reptation transition

2018 5th Global Conference on Polymer and Composite Materials

材料科学;化学

Fan, L.L.^1 ; Liu, L.^1

School of Information Science and Engineering, Dalian Polytechnic University, Dalian, China^1

关键词: Coarse Graining;    Extrapolation techniques;    Linear polymer melts;    Power law relation;    Quantitative agreement;    Rhelogical properties;    Transition regimes;    Zero shear viscosity;   

Others  :  https://iopscience.iop.org/article/10.1088/1757-899X/369/1/012017/pdf
DOI  :  10.1088/1757-899X/369/1/012017

学科分类：材料科学（综合）

来源: IOP

【 摘 要 】

Melts of linear polymers differing in the lengths of the chains have been studied by coarse graining simulations. Each polymer is represented by a branched string of soft blobs, and uncrossability constraints are added to prevent chain crossings. Their dynamical and rhelogical properties are discussed by comparisons to assess the impact of the chain length on the bulk properties without using extrapolation techniques. A satisfactory quantitative agreement with experiments is observed for the diffusion coefficients and zero-shear viscosities of the linear polymers. The power-law relation between viscosity and molecular mass is indicative of the transition regime between Rouse and reptation dynamics.