超冷水中的结构转变控制了冰的结晶率
Emily B Moore1, Valeria Molinero
1Department of Chemistry, University of Utah, Salt Lake City, Utah 84112-0580, USA.
Nature
|November 25, 2011
概括
研究人员探索了超冷水.
科学领域:
- 物理化学 物理化学
- 材料科学 材料科学 材料科学
- 热力学是一种热力学.
背景情况:
- 冰结晶之前超冷水的最低温度仍然是一个未解决的难题.
- 由于快速结晶,实验研究在同质核化温度 (T(H) ≈232 K以下是有限的.
- 超冷地区液态水的异常热力学特性表明与冰的结晶率有联系.
研究的目的:
- 为了研究超冷水中冰结晶的机制.
- 了解水的异常热力学及其结晶率之间的关系.
- 确定控制超冷水中冰形成速度和机制的因素.
主要方法:
- 使用mW水模型进行粗粒度分子模拟.
- 在超冷液体水中分析四坐标分子的分数.
- 与古典核化理论和实验数据的整合.
主要成果:
- 超冷水中四坐标分子的急剧增加解释了其异常热力学.
- 这种结构转变控制了冰的形成速度和机制.
- 水的结晶率在225K左右达到顶峰,这表明在这个温度以下的温度下,冰核形成的速度比液体平衡更快.
结论:
- 液态水的低位稳定性极限存在于T下方.
- 这项研究建立了液态水的结构变化,热力学和结晶之间的机械联系.
- 研究结果提供了对均质冰核化速率及其依赖于水的热力学特性的洞察.
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