de Graaf Joost, Dijkstra Marjolein, van Roij René
Soft Condensed Matter, Debye Institute for Nanomaterials Science, Utrecht University, Princetonplein 5, 3584 CC Utrecht, The Netherlands.
Phys Rev E Stat Nonlin Soft Matter Phys. 2009 Nov;80(5 Pt 1):051405. doi: 10.1103/PhysRevE.80.051405. Epub 2009 Nov 17.
We present a numerical technique, namely, triangular tessellation, to calculate the free energy associated with the adsorption of a colloidal particle at a flat interface. The theory and numerical scheme presented here are sufficiently general to handle nonconvex patchy colloids with arbitrary surface patterns characterized by a wetting angle, e.g., amphiphilicity. We ignore interfacial deformation due to capillary, electrostatic, or gravitational forces, but the method can be extended to take such effects into account. It is verified that the numerical method presented is accurate and sufficiently stable to be applied to more general situations than presented in this paper. The merits of the tessellation method prove to outweigh those of traditionally used semianalytic approaches, especially when it comes to generality and applicability.
我们提出了一种数值技术，即三角剖分法，用于计算与胶体颗粒在平面界面吸附相关的自由能。这里提出的理论和数值方案具有足够的通用性，能够处理具有以接触角为特征的任意表面图案的非凸斑状胶体，例如两亲性。我们忽略了由于毛细管力、静电力或重力引起的界面变形，但该方法可以扩展以考虑这些影响。经证实，所提出的数值方法准确且足够稳定，可应用于比本文所呈现的更一般的情况。三角剖分法的优点被证明超过了传统使用的半解析方法，特别是在通用性和适用性方面。
