Freezing of fluids confined in a disordered nanoporous structure
Freezing of fluids confined in a disordered nanoporous structure
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DOI：
10.1103/physrevlett.97.105702
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发表时间：
2006-09-08
影响因子：
8.6
通讯作者：
Gubbins, K. E.
中科院分区：
文献类型：
--
作者：
Coasne, B.;Jain, S. K.;Gubbins, K. E.
利用分子模拟研究了简单流体在无序纳米多孔碳中的冻结。仅发生部分结晶，并且受限相由结晶和非晶纳米畴组成。这种冻结行为强烈偏离简单几何形状的纳米孔。我们提出了一种方法，用于分析在这种无序材料中的平均尺寸和数量的结晶簇的过渡方面的冻结。这些结果为解释这类材料的冻结实验，特别是H-1-NMR和散射实验提供了依据。
Freezing of a simple fluid in a disordered nanoporous carbon is studied using molecular simulations. Only partial crystallization occurs, and the confined phase is composed of crystalline and amorphous nanodomains. This freezing behavior departs strongly from that for nanopores of simple geometry. We present a method for analyzing the freezing in such disordered materials in terms of a transition in the average size and number of crystalline clusters. The results provide a basis for the interpretation of experiments on freezing in such materials, particularly H-1-NMR and scattering experiments.