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arXiv 1203.4243cond-mat.soft
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纳米球形胶体在交变电场中介电响应的耗散粒子动力学模拟

Dielectric Response of Nanoscopic Spherical Colloids in Alternating Electric Fields: A Dissipative Particle Dynamics Simulation

Jiajia Zhou, Friederike Schmid

摘要:

通过计算机模拟研究了电解质溶液中单个纳米球形胶体对交变电场的响应。我们使用粗粒度的介观模拟方法,充分考虑流体动力学和静电相互作用以及热波动。溶剂被建模为单个耗散粒子动力学(DPD)珠的流体,并且胶体粒子被建模为由DPD珠制成的刚体。我们计算了单个胶体的迁移率和极化率,并系统地研究了交流场的振幅和频率对迁移率和极化率的影响。尽管德拜层的厚度与胶体的半径相比并不“薄”,并且热涨落很显著,但结果与Maxwell-Wagner-O 'Konski理论的理论预测非常一致,特别是对于不带电的胶体。

英文摘要:

We study the response of single nanosized spherical colloids in electrolyte solution to an alternating electric field (AC field) by computer simulations. We use a coarse-grained mesoscopic simulation approach that accounts in full for hydrodynamic and electrostatic interactions as well as for thermal fluctuations. The solvent is modeled as a fluid of single Dissipative Particle Dynamics (DPD) beads, and the colloidal particle is modeled as a rigid body made of DPD beads. We compute the mobility and the polarizability of a single colloid and investigate systematically the effect of amplitude and frequency of the AC-fields. Even though the thickness of the Debye layer is not "thin" compared to the radius of the colloid, and the thermal fluctuations are significant, the results are in good agreement with the theoretical prediction of the Maxwell-Wagner-O'Konski theory, especially for uncharged colloids.

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