在超冷却模式下,热传输和热极化水
Guansen Zhao1, Fernando Bresme1
1Department of Chemistry, Molecular Sciences Research Hub Imperial College, W12 0BZ London, United Kingdom.
The journal of physical chemistry letters
|September 18, 2024
概括
研究人员探索了深度超冷水的行为,发现与水相关的导热率最小值.
科学领域:
- 物理化学 物理化学
- 计算物理 计算物理
- 流体动力学 流体动力学
背景情况:
- 深度超冷水的行为对于理解水的异常性质至关重要.
- 假设的第二个临界点表明水具有独特的特征.
- 以前的研究表明,像最小导热率这样的异常存在.
研究的目的:
- 在各种压力下研究超冷水的导热率.
- 在导热最小值和水的临界点之间建立联系.
- 在超冷水中分析热极化效应.
主要方法:
- 没有平衡的分子动力学 (NEMD) 模拟.
- 使用了TIP4P/2005水力场.
- 在四个等度 (1, 200, 700, 1200 bar) 进行的模拟.
主要成果:
- 超冷水的热导率确认最小值.
- 将这些最小值与最大的同热压缩能力和最小的声音速度联系起来.
- 在超冷水中证明了热极化 (几mV/K).
结论:
- 观察到的导热最小值强烈支持水的第二个临界点假设.
- 热梯度在超冷水中诱导极化.
- 热极化是由一个理论模型解释的,该模型涉及等边热膨胀.
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