摘要翻译:
采用粗颗粒溶剂模型研究了两种纳米级疏水粒子在水中的自组装。我们展示了溶剂自由度是如何参与这个过程的。利用过渡路径采样的工具,我们阐明了描述组装的反应坐标。与先前的预期一致,我们发现溶质周围的液-汽界面的波动是显著的,在这种情况下,导致在两个溶质颗粒之间形成一个蒸汽隧道。这个隧道加速了装配。在考虑这个特定的模型系统时,我们使用的方法说明了一种广泛适用的方法。
---
英文标题:
《The Role of Solvent Fluctuations in Hydrophobic Assembly》
---
作者:
A. P. Willard and D. Chandler
---
最新提交年份:
2007
---
分类信息:
一级分类:Physics 物理学
二级分类:Statistical Mechanics 统计力学
分类描述:Phase transitions, thermodynamics, field theory, non-equilibrium phenomena, renormalization group and scaling, integrable models, turbulence
相变,热力学,场论,非平衡现象,重整化群和标度,可积模型,湍流
--
---
英文摘要:
We use a coarse grained solvent model to study the self assembly of two nano-scale hydrophobic particles in water. We show how solvent degrees of freedom are involved in the process. By using tools of transition path sampling, we elucidate the reaction coordinates describing the assembly. In accord with earlier expectations, we find that fluctuations of the liquid-vapor-like interface surrounding the solutes are significant, in this case leading to the formation of a vapor tunnel between the two solute particles. This tunnel accelerates assembly. While considering this specific model system, the approach we use illustrates a methodology that is broadly applicable.
---
PDF链接:
https://arxiv.org/pdf/709.1133