论文标题
梨形胶体系统中的自组装和熵效应:ii。硬球溶剂中梨形颗粒的消耗吸引力
Self-assembly and entropic effects in pear-shaped colloid systems: II. Depletion attraction of pear-shaped particles in a hard sphere solvent
论文作者
论文摘要
我们认为,对于梨形胶体颗粒的两个不同模型实现,梨形胶体颗粒的耗竭作用。这两个模型是梨硬高斯重叠(PHGO)颗粒和革命的硬梨(HPR)。这项研究的动机是为这些梨形胶体的显着介观自组装特性提供了微观理解,在该系列的第一部分中已报道。这是通过通过在硬球溶剂池中对PHGO和HPR颗粒的MC模拟确定不同的耗竭吸引力来完成的,并将它们与在微观级别上数值获得的理想配置的排除体积计算进行了比较。尽管HPR模型的表现如对排除体积的分析所预测的,但PHGO模型显示了相邻粒子之间对splay的偏好,这可以归因于PHGO接触函数的特殊非加性特征。最后,我们提出了一种潜在的实验可实现的梨形粒子模型,即革命的非添加硬梨(NAHPR)模型,该模型基于HPR模型,但也具有与phgo颗粒相似的非添加性状特征,以模仿其耗尽行为。
We consider depletion effects of a pear-shaped colloidal particle in a hard-sphere solvent, for two different model realisations of the pear-shaped colloidal particle. The two models are the pear hard Gaussian overlap (PHGO) particles and the hard pears of revolution (HPR). The motivation for this study is to provide a microscopic understanding for the substantially different mesoscopic self-assembly properties of these pear-shaped colloids, in dense suspensions, that have been reported in the first part of this series. This is done by determining the differing depletion attraction via MC simulations of PHGO and HPR particles in a pool of a hard spherical solvent and comparing them with excluded volume calculations of numerically obtained ideal configurations on the microscopic level. While the HPR model behaves as predicted by the analysis of excluded volumes, the PHGO model showcases a preference for splay between neighbouring particles, which can be attributed to the special non-additive characteristics of the PHGO contact function. Lastly, we propose a potentially experimentally realisable pear-shaped particle model, the non-additive hard pear of revolution (NAHPR) model, which is based on the HPR model but also features non-additive traits similar to those of PHGO particles to mimic their depletion behaviour.