典型文献
Entanglement on Nucleation Barrier of Polymer Crystal
文献摘要：
We propose a theoretical approach to quantitatively account for the role of entanglement in the nucleation of polymer melts,which is the unique feature of polymer differentiated from small molecules.By performing molecular dynamics simulations,we obtain the nucleation barriers of polymer systems with different entanglement densities,which exhibits an opposite trend compared to the prediction of the classic nucleation theory(CNT).To amend the deficiency of the CNT in polymer crystallization,we introduce the entanglement free energy to reflect the role of entanglement in polymer nucleation.Specifically,the polymer nucleation not only involves free energies of monomers inside and on the surface of a nucleus as considered in the CNT,but also affects the entanglement network around the nucleus.Our theoretical approach provides a reasonable interpretation for the unsolved nucleation phenomena of polymers in simulations and experiments.
文献关键词：
中图分类号：
作者姓名：
Fan Peng;Cui Nie;Ting-Yu Xu;Jun-Fang Sheng;Wei Chen;Wan-Cheng Yu;Liang-Bin Li
作者机构：
National Synchrotron Radiation Laboratory,Anhui Provincial Engineering Laboratory of Advanced Functional Polymer Film,CAS Key Laboratory of Soft Matter Chemistry,University of Science and Technology of China,Hefei230026,China
文献出处：
引用格式：
[1]Fan Peng;Cui Nie;Ting-Yu Xu;Jun-Fang Sheng;Wei Chen;Wan-Cheng Yu;Liang-Bin Li-.Entanglement on Nucleation Barrier of Polymer Crystal)[J].高分子科学（英文版）,2022(12):1640-1650
A类：
amend
B类：
Entanglement,Nucleation,Barrier,Polymer,Crystal,We,propose,theoretical,approach,quantitatively,account,role,entanglement,nucleation,melts,which,is,unique,feature,differentiated,from,small,molecules,By,performing,molecular,dynamics,simulations,we,obtain,barriers,systems,densities,exhibits,opposite,trend,compared,prediction,classic,theory,CNT,To,deficiency,crystallization,introduce,free,energy,reflect,Specifically,not,only,involves,energies,monomers,inside,surface,nucleus,considered,but,also,affects,network,around,Our,provides,reasonable,interpretation,unsolved,phenomena,polymers,experiments
AB值：
0.587632
相似文献
机标中图分类号，由域田数据科技根据网络公开资料自动分析生成，仅供学习研究参考。
