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Effects of topological constraints on linked ring polymers in solvents of varying quality.
Soft Matter ( IF 3.4 ) Pub Date : 2020-03-04 , DOI: 10.1039/c9sm02374g
Zahra Ahmadian Dehaghani 1 , Iurii Chubak , Christos N Likos , Mohammad Reza Ejtehadi
Affiliation  

We investigate the effects of topological constraints in catenanes composed of interlinked ring polymers on their size in a good solvent as well as on the location of their θ-point when the solvent quality is worsened. We mainly focus on poly[n]catenanes consisting of n ring polymers each of length m interlocked in a linear fashion. Using molecular dynamics simulations, we study the scaling of the poly[n]catenane's radius of gyration in a good solvent, assuming in general that Rg ∼ mμnν and we find that μ = 0.65 ± 0.02 and ν = 0.60 ± 0.01 for the range of n and m considered. These findings are further rationalized with the help of a mean-field Flory-like theory yielding the values of μ = 16/25 and ν = 3/5, consistent with the numerical results. We show that individual rings within catenanes feature a surplus swelling due to the presence of NL topological links. Furthermore, we consider poly[n]catenanes in solvents of varying quality and we demonstrate that the presence of topological links leads to an increase of its θ-temperature in comparison to isolated linear and ring chains with the following ordering: Tθcatenane > Tθlinear > Tθring. Finally, we show that the presence of links similarly raises the θ-temperature of a single linked ring in comparison to an unlinked one, bringing its θ-temperature close to the one of a poly[n]catenane.

中文翻译:

拓扑约束条件对不同质量溶剂中连接环聚合物的影响。

我们研究了在良好溶剂中由链状环聚合物组成的链烷中的拓扑约束对其尺寸的影响以及当溶剂质量变差时它们的θ点位置的影响。我们主要关注由n个环状聚合物组成的聚[n] catenanes,每个环状聚合物的长度m以线性方式互锁。使用分子动力学模拟,我们在良好的溶剂中研究了聚[n]环烷的回转半径的缩放比例,通常假定Rg〜mμnν,并且发现在以下范围内,μ= 0.65±0.02和ν= 0.60±0.01考虑了n和m。这些发现在平均场类弗洛里理论的帮助下进一步合理化,得出的值μ= 16/25和ν= 3/5,与数值结果一致。我们显示,由于NL拓扑链接的存在,链环内的各个环具有多余的溶胀。此外,我们考虑了质量不同的溶剂中的聚[n]邻苯二酚,并且证明了与孤立的线性和环链相比,拓扑链接的存在导致其θ温度升高,其排列顺序如下:Tθcatenane>Tθlinear>Tθring 。最后,我们表明,与未连接的环相比,连接的存在会类似地提高单个连接环的θ温度,从而使其θ温度接近于聚[n]环戊烷之一。我们考虑了质量不同的溶剂中的聚[n]邻苯二酚,并且我们证明,与分离的线性和环链相比,拓扑链接的存在导致其θ温度升高,其排列顺序如下:Tθcatenane>Tθlinear>Tθring。最后,我们表明,与未连接的环相比,连接的存在会类似地提高单个连接环的θ温度,从而使其θ温度接近于聚[n]环戊烷之一。我们考虑了质量不同的溶剂中的聚[n]邻苯二酚,并且我们证明,与分离的线性和环链相比,拓扑链接的存在导致其θ温度升高,其排列顺序如下:Tθcatenane>Tθlinear>Tθring。最后,我们表明,与未连接的环相比,连接的存在会类似地提高单个连接环的θ温度,从而使其θ温度接近于聚[n]环戊烷之一。
更新日期:2020-03-26
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