Topological Effect on Effective Local Concentration and Dynamics in Linear/Linear, Ring/Ring, and Linear/Ring Miscible Polymer Blends,Macromolecules

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Topological Effect on Effective Local Concentration and Dynamics in Linear/Linear, Ring/Ring, and Linear/Ring Miscible Polymer Blends
Macromolecules ( IF 5.1 ) Pub Date : 2020-01-07 , DOI: 10.1021/acs.macromol.9b02105
Wei Wang _{1,

2} , Chandra Sekhar Biswas _{1,

2} , Congcong Huang ₃ , Hui Zhang ₁ , Chen-Yang Liu ₃ , Florian J. Stadler ₁ , Bing Du ₁ , Zhi-Chao Yan ₁

Affiliation

Systematic molecular dynamics simulations, along with dielectric measurements on poly(vinyl methyl ether)/polystyrene blends, are performed to investigate the topological effect on the effective local concentration ϕ_eff and the segmental dynamics in linear–linear (LLB), ring–ring (RRB), and linear–ring (LRB) miscible blends. Compared with LLB, a larger average value and broader distribution of ϕ_eff are found in RRB, which is attributed to the chain-bending-back effect from the ring closure. In LRB, however, the average value and distribution of ϕ_eff for ring components are found to converge to their linear blend partners, as a consequence of linear–ring penetration. The conformational factor is incorporated into the self-concentration model and modifies ϕ_eff. This correction could satisfactorily predict the effective glass transition temperature T_g,eff and the segmental dynamics in both simulated and real miscible blends containing ring components.

中文翻译：

线性/线性，环/环和线性/环可混溶聚合物共混物中有效局部浓度和动力学的拓扑效应

进行了系统的分子动力学模拟，以及对聚乙烯乙烯基甲醚/聚苯乙烯共混物的介电测量，以研究对有效局部浓度_eff的拓扑效应以及线性-线性（LLB），环-环（ RRB）和线性环（LRB）混溶混合物。与LLB相比，在RRB中发现了更大的平均值和更大的_eff分布，这归因于闭环带来的链回弯曲效应。然而，在LRB中，由于线性环的渗透，发现环组分的平均值和_eff的分布收敛到其线性共混物。构象因子被合并到自我集中模型中并修改ϕ_eff。该校正可以令人满意地预测有效的玻璃化转变温度T _g，eff和包含环组分的模拟和实际混溶共混物中的分段动力学。

更新日期：2020-01-07

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