Competition of diffusion and crosslink on the interphase region in carbon fiber/epoxy analyzed by multiscale simulations
Competition of diffusion and crosslink on the interphase region in carbon fiber/epoxy analyzed by multiscale simulations
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通过多尺度模拟分析碳纤维/环氧树脂界面区域扩散和交联的竞争
DOI：
10.1002/app.40032
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发表时间：
2014-04
影响因子：
3
通讯作者：
Zhang, Zuo-Guang
中科院分区：
文献类型：
--
作者：
Gu, Yi-Zhuo;Li, Yan-Xia;Liu, Hong;Zhang, Zuo-Guang
采用全原子分子动力学（MD）、粗粒耗散粒子动力学（DPD）和MonteCarlo聚合模型相结合的多尺度方法，模拟了碳纤维/环氧树脂复合材料中浆料、环氧树脂和固化剂之间的分子扩散和交联过程。结果表明，由于三种组分的相互扩散，在纤维附近的界面过渡区形成梯度分布。扩散行为受到交联反应的极大抑制。结果表明，在化学反应开始之前的一段时间的扩散是必要的，以获得足够的界面内的交联。施胶量和施胶组分对界面区有显著影响。施胶层越厚，交联越少，过渡区越宽，而固化剂的存在可以在不改变界面宽度的情况下产生更高的交联密度。这些结果加深了我们对碳纤维/环氧复合材料中三维界面区的分子形成和优化的理解。© 2013 Wiley Periodicals，Inc. J.应用聚合物Sci. 2014，131，40032。
Molecular diffusion and crosslink between sizing, epoxy, and hardener agent were simulated to elucidate forming process of interphase in carbon fiber/epoxy composite, by using a multiscale method, in which fully atomistic molecular dynamics (MD), coarse-grained dissipative particle dynamics (DPD) and Monte Carlo-like polymerizing models are used in combination. It shows that mutual diffusions of the three components tend to result in gradient distributions in the fiber vicinity crossing the interphase transition region. The diffusion behavior is extremely restrained by the crosslink reactions. The results indicate that a period of diffusion before the initiation of chemical reaction is necessarily important to obtain sufficient crosslink within the interphase. The sizing amount and the sizing compositions have significant influence on the interphase region. Thicker sizing layer leads to less crosslink and wider transition region, whereas existence of hardener agent in the sizing layer can generate higher crosslink density without changing the width of the interphase. These results deepen our understanding on molecular formation and optimization of the three-dimensional interphase region in carbon fiber/epoxy composites. © 2013 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2014, 131, 40032.
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影响因子：
4.4
作者：
A. Tomsic;C. R. Gebhardt
通讯作者：
A. Tomsic;C. R. Gebhardt
影响因子：
3.1
作者：
P. Gohil;A. A. Shaikh-A.
通讯作者：
P. Gohil;A. A. Shaikh-A.
影响因子：
3
作者：
Dai, Zhishuang;Zhang, Baoyan;Gu, Yizhuo
通讯作者：
Gu, Yizhuo
DOI：
10.1016/j.compositesa.2010.09.001
发表时间：
2010-12
影响因子：
8.7
作者：
M. Romanowicz
通讯作者：
M. Romanowicz
DOI：
10.1063/1.1860351
发表时间：
2005-03
期刊：
The Journal of chemical physics
影响因子：
--
作者：
Li-Jun Chen;Zhong-yuan Lu;H. Qian;Zesheng Li;Chia-Chung Sun
通讯作者：
Li-Jun Chen;Zhong-yuan Lu;H. Qian;Zesheng Li;Chia-Chung Sun