Primary Nucleation in Metastable Solutions of Poly(3-hexylthiophene)

Primary Nucleation in Metastable Solutions of Poly(3-hexylthiophene)
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聚(3-己基噻吩)亚稳态溶液中的初级成核

DOI:
10.1021/acs.macromol.1c02193
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发表时间:
2022-04
期刊:
影响因子:
5.5
通讯作者:
Günter Reiter
Günter Reiter
中科院分区:
化学1区
文献类型:
--
作者:
Tianyu Wu;Sivasurender Ch;ran;Yao Zhang;Tianze Zheng;Thomas Pfohl;Jun Xu;Günter Reiter

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由于临界初核尺寸小且形成概率低,其尺寸的确定对聚合物结晶来说是一个巨大的挑战。我们仍然缺少一种可行的方法来提供初级成核的实验途径。在这项工作中,我们研究了原型共轭聚合物(即聚(3-己基噻吩))的明确亚稳态状态下孵育时间对过饱和度的依赖性。基于卡什切夫成核定理,并通过基于晶体单元附着和分离动力学的初级成核模拟模型进行验证,我们推导了临界核内晶体单元的数量,在研究的参数范围内,发现该数量与过饱和度无关。因此,我们得出结论,经典成核理论预测临界核尺寸随着过饱和度的降低而增加,但对于弱过饱和溶液可能无效。
Because of its smallness and low probability of formation, the determination of the size of the critical primary nucleus represents a great challenge in polymer crystallization. We are still missing a feasible approach providing experimental access to primary nucleation. In this work, we investigated the dependence of the incubation time on the degree of supersaturation for a well-defined metastable regime of a prototypical conjugated polymer, i.e., poly(3-hexylthiophene). On the basis of Kashchiev’s nucleation theorem and verified by a simulation model for primary nucleation based on the kinetics of attaching and detaching crystalline units, we deduced the number of crystalline units within the critical nucleus, which, for the investigated parameter range, was found to be independent of the degree of supersaturation. Thus, we conclude that classical nucleation theory, which predicts an increase of the size of critical nuclei with decreasing degree of supersaturation, may be not valid for weakly supersaturated solutions.
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发表时间: 2013-06-01
影响因子: 3.8
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