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硬核模型两亲混合物中的熵界面。

Entropic interfaces in hard-core model amphiphilic mixtures.

作者信息

Brader Joseph M, Schmidt Matthias

机构信息

Institute of Physiology, University of Bern, Bühlplatz 5, 3012 Bern, Switzerland.

出版信息

J Colloid Interface Sci. 2005 Jan 15;281(2):495-502. doi: 10.1016/j.jcis.2004.08.097.

Abstract

We investigate bulk and interfacial properties of a recently proposed hard-body model for a ternary mixture of amphiphilic particles, spheres and needles using density functional theory. The simple model amphiphiles are formed by bonding a vanishingly thin needle tail radially to a hard-sphere head group. Such particles provide a natural amphiphile when added to a binary mixture of spheres and needles. As all interactions are hard, we seek to find whether amphiphilic effects can be driven by entropy without the need to invoke attractive interactions. In order to assess the amphiphilic character of the model we first examine the spatial and orientational distribution of the amphiphiles at the free interface between demixed needle-rich and amphiphile-rich fluid phases of the binary amphiphile-needle subsystem. We then consider the free interface between sphere-rich and needle-rich phases upon adding amphiphiles with low concentration to the demixed system. In both cases the orientational distribution of the particles in the interface provides strong evidence that amphiphilic properties can arise purely from geometrical packing effects.

摘要

我们使用密度泛函理论研究了一种最近提出的用于两亲性颗粒、球体和针状体三元混合物的硬体模型的体相和界面性质。简单的模型两亲物是通过将极细的针状尾部径向连接到硬球头部基团而形成的。当将这类颗粒添加到球体和针状体的二元混合物中时,它们就形成了天然的两亲物。由于所有相互作用都是硬相互作用,我们试图探究两亲性效应是否可以由熵驱动,而无需引入吸引相互作用。为了评估该模型的两亲性特征,我们首先研究了二元两亲物 - 针状体子系统中富含针状体和富含两亲物的流体相之间自由界面处两亲物的空间和取向分布。然后,我们考虑在向混合系统中添加低浓度两亲物时富含球体和富含针状体的相之间的自由界面。在这两种情况下,界面处颗粒的取向分布都提供了有力证据,表明两亲性性质可以纯粹由几何堆积效应产生。

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