交叉连接密度对化SBR非线性粘弹性的影响:MD模拟和实验研究
Tian Yan1,2, Ke-Jian Wang1, Xiu-Ying Zhao2
1College of Mechanical and Electrical Engineering, Beijing University of Chemical Technology, Beijing 100029, China.
International journal of molecular sciences
|June 28, 2023
概括
这项研究探讨了交叉连接密度如何影响 styrene-butadiene 的动态剪切行为. 更高的交叉连接密度通过限制分子运动增加储存模块,影响的机械性能.
科学领域:
- 聚合物科学 聚合物科学
- 材料科学 材料科学 材料科学
- 计算化学的计算化学
背景情况:
- 越来越多的人对在切割下的动态机械性能感兴趣.
- 对火山化特征的研究有限,特别是交叉连接密度,影响动态剪切行为.
研究的目的:
- 研究不同交叉连接密度 (Dc) 对 styrene-butadiene (SBR) 的动态剪切行为的影响.
- 使用分子动力学 (MD) 模拟来理解这些影响在分子层面.
主要方法:
- 使用分子动力学 (MD) 模拟来建模SBR.
- 模拟动态剪切条件以分析机械性能.
- 改变交联密度 (Dc) 来观察它们的影响.
主要成果:
- 观察到一个显著的佩恩效应:储存模块在0.1.1.0的应变幅度 (γ0) 以上急剧下降.
- 将佩恩效应归因于聚合物键断裂和分子链灵活性降低.
- 发现较高的交联密度阻碍了分子链运动,增加了SBR的储存模块.
结论:
- 交叉连接密度是影响SBR动态剪切行为的关键因素.
- 分子动力学模拟为交叉连接和特性之间的关系提供了宝贵的见解.
- 结果与现有文献一致,验证了模拟方法.
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