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利用离散元方法对浓悬浮液中的黏度进行建模。

Utilizing the Discrete Element Method for the Modeling of Viscosity in Concentrated Suspensions.

机构信息

Department of Chemical Engineering, University of Chemistry and Technology Prague , Technicka 5, 16628 Prague 6, Czech Republic.

出版信息

Langmuir. 2016 Aug 23;32(33):8451-60. doi: 10.1021/acs.langmuir.6b02335. Epub 2016 Aug 12.

Abstract

The rheological behavior of concentrated suspensions is a complicated problem because it originates in the collective motion of particles and their interaction with the surrounding fluid. For this reason, it is difficult to accurately model the effect of various system parameters on the viscosity even for highly simplified systems. We model the viscosity of a hard-sphere suspension subjected to high shear rates using the dynamic discrete element method (DEM) in three spatial dimensions. The contact interaction between particles was described by the Hertz model of elastic spheres (soft-sphere model), and the interaction of particles with flow was accounted for by the two-way coupling approach. The hydrodynamic interaction between particles was described by the lubrication theory accounting for the slip on particle surfaces. The viscosity in a simple-shear model was evaluated from the force balance on the wall. The obtained results are in close agreement with literature data for systems with hard spheres. Namely, the viscosity is shown to be independent of shear rate and primary particle size for monodisperse suspensions. In accordance with theory and experimental data, the viscosity grows rapidly with particle volume fraction. We show that this rheological behavior is predominantly caused by the lubrication forces. A novel approach based on the slip of water on a particle surface was developed to overcome the divergent behavior of lubrication forces. This approach was qualitatively validated with literature data from AFM measurements using a colloidal probe. The model presented in this work represents a new, robust, and versatile approach to the modeling of viscosity in suspensions with the possibility to include various interaction models and study their effect on viscosity.

摘要

浓悬浮液的流变行为是一个复杂的问题,因为它源于颗粒的集体运动及其与周围流体的相互作用。出于这个原因,即使对于高度简化的系统,也很难准确地模拟各种系统参数对粘度的影响。我们使用三维动态离散元方法 (DEM) 来模拟高剪切率下硬球悬浮液的粘度。颗粒之间的接触相互作用由弹性球体的赫兹模型(软球模型)描述,颗粒与流动的相互作用通过双向耦合方法考虑。颗粒之间的流体动力学相互作用通过考虑颗粒表面滑移的润滑理论来描述。在简单剪切模型中,通过壁面的力平衡来评估粘度。得到的结果与具有硬球的系统的文献数据非常吻合。即,对于单分散悬浮液,粘度与剪切率和初级颗粒尺寸无关。根据理论和实验数据,粘度随颗粒体积分数迅速增加。我们表明,这种流变行为主要是由润滑力引起的。开发了一种基于水在颗粒表面滑移的新方法来克服润滑力的发散行为。使用胶体探针的 AFM 测量的文献数据对这种方法进行了定性验证。本文提出的模型代表了一种新的、稳健的、通用的悬浮液粘度建模方法,具有包含各种相互作用模型并研究它们对粘度影响的可能性。

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