Davies Gary B, Krüger Timm, Coveney Peter V, Harting Jens
Centre for Computational Science, University College London, 20 Gordon Street, London WC1H 0AJ, United Kingdom.
Institute for Materials and Processes, Department of Engineering, University of Edinburgh, Scotland, Edinburgh EH9 3JL, United Kingdom.
J Chem Phys. 2014 Oct 21;141(15):154902. doi: 10.1063/1.4898071.
The energy required to detach a single particle from a fluid-fluid interface is an important parameter for designing certain soft materials, for example, emulsions stabilised by colloidal particles, colloidosomes designed for targeted drug delivery, and bio-sensors composed of magnetic particles adsorbed at interfaces. For a fixed particle volume, prolate and oblate spheroids attach more strongly to interfaces because they have larger particle-interface areas. Calculating the detachment energy of spheroids necessitates the difficult measurement of particle-liquid surface tensions, in contrast with spheres, where the contact angle suffices. We develop a simplified detachment energy model for spheroids which depends only on the particle aspect ratio and the height of the particle centre of mass above the fluid-fluid interface. We use lattice Boltzmann simulations to validate the model and provide quantitative evidence that the approach can be applied to simulate particle-stabilized emulsions, and highlight the experimental implications of this validation.
从流体-流体界面分离单个粒子所需的能量是设计某些软材料的重要参数,例如,由胶体粒子稳定的乳液、用于靶向药物递送的胶体囊泡,以及由吸附在界面处的磁性粒子组成的生物传感器。对于固定的粒子体积,长椭球体和扁椭球体与界面的附着更强,因为它们具有更大的粒子-界面面积。与球体不同,计算椭球体的分离能量需要困难地测量粒子-液体表面张力,而对于球体,接触角就足够了。我们为椭球体开发了一个简化的分离能量模型,该模型仅取决于粒子的纵横比和粒子质心在流体-流体界面上方的高度。我们使用格子玻尔兹曼模拟来验证该模型,并提供定量证据表明该方法可用于模拟粒子稳定的乳液,并强调了这种验证的实验意义。