Microstructure of Flow-Driven Suspension of Hardspheres in Cylindrical Confinement: A Dynamical Density Functional Theory and Monte Carlo Study.
Microstructure of Flow-Driven Suspension of Hardspheres in Cylindrical Confinement: A Dynamical Density Functional Theory and Monte Carlo Study.
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DOI：
10.1021/acs.langmuir.7b01860
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发表时间：
2017-10-24
期刊：
影响因子：
--
通讯作者：
Radhakrishnan R
中科院分区：
文献类型：
--
作者：
Yu HY;Jabeen Z;Eckmann DM;Ayyaswamy PS;Radhakrishnan R
本文利用动力学密度泛函理论和蒙特卡罗模拟方法研究了圆柱体内流动驱动硬球悬浮体的微观结构。为了代表实验中可能存在的各种物理条件，我们使用巨正则（μVT）系综和正则（NVT）系综来研究这个问题。在这两个合奏中，流体动力学效应介导的存在下的限制壁的悬浮液中实施的平均场的方式，通过将所做的热力学工作的惯性升力的颗粒给定的平均流场。在μVT系综中预测的颗粒分布显示出强的结构有序性，随着流速的增加，由于相应的更高的颗粒浓度内的缸。在NVT系综中，对于稀悬浮液，我们观察到的密度分布在一个类似于塞格雷-西尔伯贝格环的位置处的峰值，而对于稠密悬浮液，惯性升力和硬球相互作用的竞争效应导致形成几个环。
We have studied the microstructure of a flow-driven hardsphere suspension inside a cylinder using dynamical density functional theory and Monte Carlo simulations. In order to be representative of various physical conditions that may prevail in experiments, we investigate the problem using both the grand canonical (μVT) ensemble and the canonical (NVT) ensemble. In both ensembles, the hydrodynamic effect on the suspension mediated by the presence of the confining wall is implemented in a mean-field fashion by incorporating the thermodynamic work done by the inertial lift force on the particle given the average flow field. The predicted particle distribution in the μVT ensemble displays strong structural ordering at increasing flow rates due to the correspondingly higher particle concentrations inside the cylinder. In the NVT ensemble, for dilute suspensions we observe a peak in the distribution of density at a location similar to that of the Segré-Silberberg annulus, while for dense suspensions the competing effects of the inertial lift and the hardsphere interaction lead to the formation of several annuli.
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