Sticky Rouse Model and Molecular Dynamics Simulation for Dual Polymer Networks
Sticky Rouse Model and Molecular Dynamics Simulation for Dual Polymer Networks
复制标题
双聚合物网络的粘性劳斯模型和分子动力学模拟
DOI：
10.1021/acs.macromol.1c02059
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发表时间：
2022-01
期刊：
影响因子：
5.5
通讯作者：
Tang Ping
中科院分区：
文献类型：
--
作者：
Shao Jingyu;Jiang Nuofei;Zhang Hongdong;Yang Yuliang;Tang Ping
Dual polymer networks with stickers have a reputation for enhanced modulus and toughness. We propose a modified sticky Rouse model (SRM) from the single-chain perspective for permanent and transient dual networks, aiming to find a universal description of associative polymer dynamics. The computational complexity of obtaining the analytical relaxation spectrum is simplified by graph theory, implementing matrix reduction of the Rouse−Zimm matrix based on the symmetry. The analytical relaxation spectrum can also return to the case of linear polymers and permanent networks. The modified SRM for dual polymer networks predicts a Rouse-like scale of the linear relaxation modulus G(t) ∝ t−1/2 in sticker relaxation, consistent with the existing experimental results. In particular, the key parameter in the SRM, namely, the effective friction coefficient, can be extracted from the lifetime of sticky bonds and diffusion of chains, obtained by molecular dynamics simulations (MD). Based on that, the SRM model can predict the linear viscoelasticity of dual polymer networks, quantitatively in agreement with our MD results. Our work strongly supports the applicability of the singlechain molecular model SRM for polymer complex networks with reversible associative interactions.
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DOI：
10.1063/1.2346670
发表时间：
2006-09
期刊：
The Journal of chemical physics
影响因子：
--
作者：
C. Huang;H. Xu;J. Ryckaert
通讯作者：
C. Huang;H. Xu;J. Ryckaert
影响因子：
5.5
作者：
A. Kloczkowski;J. E. Mark;H. Frisch
通讯作者：
A. Kloczkowski;J. E. Mark;H. Frisch
影响因子：
5.5
作者：
BAXANDALL, LG
通讯作者：
BAXANDALL, LG
树突链的劳斯动力学性质：一种图论方法
影响因子：
5.5
作者：
Yingzi Yang;Feng Qiu;Hongdong Zhang;Yuliang Yang
通讯作者：
Yuliang Yang
影响因子：
5.5
作者：
Stukalin, Evgeny B.;Cai, Li-Heng;Kumar, N. Arun;Leibler, Ludwik;Rubinstein, Michael
通讯作者：
Rubinstein, Michael