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颗粒与粗糙表面之间的DLVO相互作用:一种扩展的表面单元积分方法。

DLVO Interactions between Particles and Rough Surfaces: An Extended Surface Element Integration Method.

作者信息

Rajupet Siddharth

机构信息

Department of Chemical and Biomolecular Engineering, Case Western Reserve University, Cleveland, Ohio 44106, United States.

出版信息

Langmuir. 2021 Nov 16;37(45):13208-13217. doi: 10.1021/acs.langmuir.1c01492. Epub 2021 Nov 3.

Abstract

The surface element integration (SEI) method is a computationally facile technique for calculating DLVO interactions between particles and surfaces. This method yields the exact total DLVO interaction between a particle and a flat surface; however, all surfaces have some degree roughness that profoundly affects the interaction. Previously, an ad hoc approximate method has been used to extend the SEI method to interactions between particles and surfaces with arbitrary morphology. Here we derive a more rigorous approximate method based on the fundamental scaling of DLVO interactions, which approaches the exact solution as the separation distance decreases regardless of the particle or surface morphology. We verify this method by comparison to the exact van der Waals energy when roughness is present on the particle and surface. The accuracy of this method at small separations makes it well-suited for the contexts of particle adhesion and deposition in which the length scale of interaction is on the order of angstroms and nanometers, respectively.

摘要

表面元积分(SEI)方法是一种计算简便的技术,用于计算颗粒与表面之间的DLVO相互作用。该方法可得出颗粒与平面之间精确的总DLVO相互作用;然而,所有表面都有一定程度的粗糙度,这会深刻影响相互作用。此前,一种临时近似方法已被用于将SEI方法扩展到颗粒与具有任意形态的表面之间的相互作用。在此,我们基于DLVO相互作用的基本标度推导了一种更严格的近似方法,无论颗粒或表面形态如何,随着分离距离减小,该方法趋近于精确解。当颗粒和表面存在粗糙度时,我们通过与精确的范德华能进行比较来验证该方法。这种方法在小分离距离下的准确性使其非常适合颗粒粘附和沉积的情况,其中相互作用的长度尺度分别为埃和纳米量级。

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