Effects of chain structure on damping property and local dynamics of phenyl silicone rubber: Insights from experiment and molecular simulation

The dynamic mechanical property of silicone rubbers with different phenyl units and phenyl contents were comprehensively investigated by means of experiments combined with molecular dynamics (MD) simulation. Experimentally, the results indicate that the phenyl units are randomly distributed in the p...

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Autores principales:	Lin Zhu, Shigui Zhao, Chen Zhang, Xiao Cheng, Jinghao Hao, Xiaoqing Shao, Chuanjian Zhou
Formato:	article
Lenguaje:	EN
Publicado:	Elsevier 2021
Materias:	Silicone rubber Damping property Molecular dynamics simulation Local dynamics Sequence distribution Polymers and polymer manufacture TP1080-1185
Acceso en línea:	https://doaj.org/article/2e71330326e04617b2474d8e0ffd3605
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spelling	oai:doaj.org-article:2e71330326e04617b2474d8e0ffd36052021-11-24T04:23:47ZEffects of chain structure on damping property and local dynamics of phenyl silicone rubber: Insights from experiment and molecular simulation0142-941810.1016/j.polymertesting.2020.106885https://doaj.org/article/2e71330326e04617b2474d8e0ffd36052021-01-01T00:00:00Zhttp://www.sciencedirect.com/science/article/pii/S0142941820321140https://doaj.org/toc/0142-9418The dynamic mechanical property of silicone rubbers with different phenyl units and phenyl contents were comprehensively investigated by means of experiments combined with molecular dynamics (MD) simulation. Experimentally, the results indicate that the phenyl units are randomly distributed in the polymer chains and the damping capacity is considerably improved with the augment of phenyl contents. Compared with methylphenyl units, diphenyl units endow the silicone rubber with enhanced mechanical stability, which leads to a wider glass transition region and effective damping temperature range. Furthermore, the MD simulation reveals the equilibrium structures and local dynamics by monitoring the changes of molecular interactions, bond rotation, conformational transition and molecular diffusion during the cooling process, which correlates the dynamic mechanical response to the molecular relaxation behavior. This work provides a deeper insight into the relationship among the composition, microstructure and damping property, which may promote theoretical predictions and scientific basis for the designs of silicone rubber with desired performances.Lin ZhuShigui ZhaoChen ZhangXiao ChengJinghao HaoXiaoqing ShaoChuanjian ZhouElsevierarticleSilicone rubberDamping propertyMolecular dynamics simulationLocal dynamicsSequence distributionPolymers and polymer manufactureTP1080-1185ENPolymer Testing, Vol 93, Iss , Pp 106885- (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Silicone rubber Damping property Molecular dynamics simulation Local dynamics Sequence distribution Polymers and polymer manufacture TP1080-1185
spellingShingle	Silicone rubber Damping property Molecular dynamics simulation Local dynamics Sequence distribution Polymers and polymer manufacture TP1080-1185 Lin Zhu Shigui Zhao Chen Zhang Xiao Cheng Jinghao Hao Xiaoqing Shao Chuanjian Zhou Effects of chain structure on damping property and local dynamics of phenyl silicone rubber: Insights from experiment and molecular simulation
description	The dynamic mechanical property of silicone rubbers with different phenyl units and phenyl contents were comprehensively investigated by means of experiments combined with molecular dynamics (MD) simulation. Experimentally, the results indicate that the phenyl units are randomly distributed in the polymer chains and the damping capacity is considerably improved with the augment of phenyl contents. Compared with methylphenyl units, diphenyl units endow the silicone rubber with enhanced mechanical stability, which leads to a wider glass transition region and effective damping temperature range. Furthermore, the MD simulation reveals the equilibrium structures and local dynamics by monitoring the changes of molecular interactions, bond rotation, conformational transition and molecular diffusion during the cooling process, which correlates the dynamic mechanical response to the molecular relaxation behavior. This work provides a deeper insight into the relationship among the composition, microstructure and damping property, which may promote theoretical predictions and scientific basis for the designs of silicone rubber with desired performances.
format	article
author	Lin Zhu Shigui Zhao Chen Zhang Xiao Cheng Jinghao Hao Xiaoqing Shao Chuanjian Zhou
author_facet	Lin Zhu Shigui Zhao Chen Zhang Xiao Cheng Jinghao Hao Xiaoqing Shao Chuanjian Zhou
author_sort	Lin Zhu
title	Effects of chain structure on damping property and local dynamics of phenyl silicone rubber: Insights from experiment and molecular simulation
title_short	Effects of chain structure on damping property and local dynamics of phenyl silicone rubber: Insights from experiment and molecular simulation
title_full	Effects of chain structure on damping property and local dynamics of phenyl silicone rubber: Insights from experiment and molecular simulation
title_fullStr	Effects of chain structure on damping property and local dynamics of phenyl silicone rubber: Insights from experiment and molecular simulation
title_full_unstemmed	Effects of chain structure on damping property and local dynamics of phenyl silicone rubber: Insights from experiment and molecular simulation
title_sort	effects of chain structure on damping property and local dynamics of phenyl silicone rubber: insights from experiment and molecular simulation
publisher	Elsevier
publishDate	2021
url	https://doaj.org/article/2e71330326e04617b2474d8e0ffd3605
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_version_	1718416024300158976

Effects of chain structure on damping property and local dynamics of phenyl silicone rubber: Insights from experiment and molecular simulation

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