Institut für Theoretische Physik II, Heinrich-Heine Universität Düsseldorf, Universitätsstraße 1, 40225 Düsseldorf, Germany.
J Chem Phys. 2011 Dec 21;135(23):234510. doi: 10.1063/1.3664742.
Recently, a density functional theory for hard particles with shape anisotropy was developed, the extended deconvolution fundamental measure theory (edFMT). We apply edFMT to hard dumbbells, arguably the simplest non-convex shape and readily available experimentally in the form of colloids. We obtain good agreement between edFMT and Monte Carlo simulations for fluids of dumbbells in a slit and for the same system under gravity. This indicates that edFMT can be successfully applied to nearly all colloidal shapes, not just for the convex shapes for which edFMT was originally derived. A theory, such as edFMT, that allows a fast and general way of mapping the phase behavior of anisotropic colloids, can act as a useful guide for the design of colloidal shapes for various applications.
最近，人们开发了一种具有形状各向异性的硬粒子的密度泛函理论，即扩展解卷积基本测量理论（edFMT）。我们将 edFMT 应用于硬哑铃，这可以说是最简单的非凸形状，并且可以很容易地以胶体的形式在实验中获得。我们发现，edFMT 与在狭缝中哑铃流体的蒙特卡罗模拟以及在重力下的相同系统之间具有良好的一致性。这表明 edFMT 可以成功应用于几乎所有胶体形状，而不仅仅是最初推导 edFMT 的凸形状。这样一种理论，如 edFMT，可以快速而全面地映射各向异性胶体的相行为，可作为设计各种应用中胶体形状的有用指南。
