How Dimensionality Affects the Structural Anomaly in a Core-Softened Colloid

IF 2.5 Q3 CHEMISTRY, PHYSICAL Colloids and Interfaces Pub Date : 2023-04-21 DOI:10.3390/colloids7020033
L. Krott, J. R. Bordin
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Abstract

The interaction between hard core–soft shell colloids are characterized by having two characteristic distances: one associated with the penetrable, soft corona and another one corresponding to the impenetrable core. Isotropic core-softened potentials with two characteristic length scales have long been applied to understand the properties of such colloids. Those potentials usually show water-like anomalies, and recent findings have indicated the existence of multiple anomalous regions in the 2D limit under compression, while in 3D, only one anomalous region is observed. In this direction, we perform molecular dynamics simulations to unveil the details about the structural behavior in the quasi-2D limit of a core-softened colloid. The fluid was confined between highly repulsive solvophobic walls, and the behavior at distinct wall separations and colloid densities was analyzed. Our results indicated a straight relation between the 2D- or 3D-like behavior and layer separation. We can relate that if the system behaves as independent 2D-layers, it will have a 2D-like behavior. However, for some separations, the layers are connected, with colloids hopping from one layer to another, thus having a 3D-like structural behavior. These findings fill the gap in the depiction of the anomalous behavior from 2D to 3D.
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维度如何影响核心软化胶体的结构异常
硬核-软壳胶体之间的相互作用具有两个特征距离:一个与可穿透的软电晕有关,另一个与不可穿透的核心相对应。具有两个特征长度尺度的各向同性核软化势长期以来一直被用于理解这种胶体的性质。这些电位通常显示出类似水的异常,最近的发现表明,在压缩条件下,在2D极限中存在多个异常区域,而在3D中,只观察到一个异常区域。在这个方向上,我们进行分子动力学模拟,以揭示核心软化胶体在准2D极限下的结构行为的细节。流体被限制在高度排斥的疏溶剂壁之间,并分析了在不同的壁分离和胶体密度下的行为。我们的结果表明,类似2D或3D的行为与层分离之间存在直接关系。我们可以联系到,如果系统表现为独立的2D层,它将具有类似2D的行为。然而,对于一些分离,层是连接的,胶体从一层跳到另一层,因此具有类似3D的结构行为。这些发现填补了从2D到3D对异常行为描述的空白。
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来源期刊
Colloids and Interfaces
Colloids and Interfaces CHEMISTRY, PHYSICAL-
CiteScore
3.90
自引率
4.20%
发文量
64
审稿时长
10 weeks
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