部分可结的封闭水的复杂动力学,由综合实验和计算研究揭示出来
Elisa Steinrücken1, Max Weigler1, Sebastian Kloth1
1Institute for Condensed Matter Physics, Technische Universität Darmstadt, Hochschulstr. 6, 64289 Darmstadt, Germany.
The Journal of chemical physics
|July 1, 2024
概括
水在半孔中部分结晶会改变其动态,影响温度依赖性和易受性. 接口层中的水表现出跳跃运动,而不是有争议的交叉.
科学领域:
- 材料科学 材料科学 材料科学
- 物理化学 物理化学
- 凝聚物质物理学 凝聚物质物理学
背景情况:
- 封闭式水表现出复杂的动态,包括动态交叉.
- 局限系统中的部分结晶引入了新的动态模式.
研究的目的:
- 在部分结晶过程中调查中性二氧化中的水动力学.
- 描述毛孔大小和界面对水和冰动态的影响.
主要方法:
- 宽带介电光谱学 (BDS). 宽带介电光谱学.
- 核磁共振 (NMR) 场循环放松计和刺激回声实验.
- 分子动力学模拟 (MDS).分子动力学模拟.
主要成果:
- 部分结晶改变了旋转关联时间的温度依赖性,受孔径的影响.
- 动态易感性从液态水中的不对称转变为更广泛的,在部分结状态下对称.
- 不结的界面水动力学是由静态能量景观控制的,具有高斯式的屏障分布,显示跳跃运动.
结论:
- 封闭水的动态被部分结晶和孔隙封闭显著改变.
- 界面水动力学与散水不同,由表面相互作用来解释.
- 封闭式冰相遵循阿雷尼乌斯动态,可结水的激活能量在不同的封闭中保持一致.
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