在高压下商品聚合物的导热性
Otavio Higino Moura de Alencar1,2,3, James Wu4,5, Marcus Müller3
1CentraleSupélec, Université Paris-Saclay, 91190 Gif-sur-Yvette, France.
高压显著增加了聚合物如聚甲酸中的热流. 非结合相互作用主导着这种热传输,在极端压力条件下,导热率上升近四倍.
科学领域:
- 材料科学 材料科学 材料科学
- 聚合物物理 聚合物物理
- 热力学是一种热力学.
背景情况:
- 在高压应用中,聚合物中的热流对于高压应用至关重要.
- 压力对聚合物热传输的影响是复杂的,难以研究的.
- 了解聚合物架构在传热中的作用是必不可少的.
研究的目的:
- 研究聚甲酸的依赖压力的热传输特性.
- 用压力量化导热率 (κ) 的增加.
- 阐明控制聚合物中热流的微观机制.
主要方法:
- 使用了全原子分子动力学模拟.
- 采用半分析方法进行分析.
- 计算了经典和量子校正的导热率估计.
主要成果:
- 聚甲酸的热导率 (κ) 随着压力增加而增加.
- 量子校正后的 κ 从0.21升至0.80 W m-1 K-1 从1 atm升至10 GPa.
- 非结合性相互作用显示,能量传输速率增加了六倍,主导了热流.
结论:
- 非结合性相互作用是压力下的聚合物中热流的主要驱动因素.
- 模拟结果与实验数据有很好的一致性.
- 该研究提供了对工程应用的聚合物热传输机制的见解.
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