延长聚合物化的机械降解的工作
Nattavipa Chongvimansin1, Thomas C O'Connor1
1Department of Materials Science and Engineering, Carnegie Mellon University, Pittsburgh, Pennsylvania 15217, United States.
分子动力学模拟显示,聚合物化物在延伸流过程中通过链裂变降解. 这一由纠影响的过程,需要比简单的结合破解更大的塑料消散.
科学领域:
- 聚合物物理 聚合物物理
- 材料科学 材料科学 材料科学
- 计算化学计算化学
背景情况:
- 聚合物的机械降解对于加工和回收至关重要.
- 了解在延伸流下聚合物化的行为是控制材料特性的关键.
研究的目的:
- 为了研究在单轴延伸流下纠的聚合物融中的机械降解的分子机制.
- 量化对链裂的能量贡献,并将其与宏观材料行为联系起来.
主要方法:
- 使用分子动力学模拟来建模聚合物化的模型.
- 分析延伸应力,分子对齐和链脊柱裂变事件.
- 将每次裂变事件中的工作分解为对齐,破解和塑料消散元件.
主要成果:
- 链裂变与分子间纠相结合,对变形历史和应变率表现出敏感性.
- 在特定的应变水平上,链裂速达到顶峰,在全链延伸之前.
- 塑料的消散大大超过了在裂变过程中对共价键破裂所需的化学工作.
结论:
- 大量聚合物力学和整形学对于设计有效的机械降解和机械化学过程至关重要.
- 纠在聚合物链裂变的动态和能量格局中起着至关重要的作用.
- 在化物中,链裂的能量成本主要是由塑料变形而不是键合能.
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