Superspreading: mechanisms and molecular design.
Superspreading: mechanisms and molecular design.
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DOI：
10.1021/la5044798
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发表时间：
2015-02
期刊：
影响因子：
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通讯作者：
P. Theodorakis;E. A. Müller;R. Craster;O. Matar
中科院分区：
文献类型：
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作者：
P. Theodorakis;E. A. Müller;R. Craster;O. Matar
某些表面活性剂分子能够驱使液体在疏水基材上完全润湿，这种耐人寻味的能力对于从涂层流动技术到提高石油采收率的众多应用来说是至关重要的。尽管进行了大量的实验工作，但到目前为止，超级扩散背后的确切机制仍不清楚。在这里，我们通过分析不同分子结构和底物亲和力的表面活性分子的粗粒度分子动力学模拟来分离这些机制。我们观察到，要发生超扩散，必须同时满足两个关键条件：表面活性剂从液-气表面吸附到三相接触线上，并通过局部双分子层的形成来增强。至关重要的是，这必须与从液滴内部用表面活性剂快速补充液-汽和固-液界面相协调。本文还强调和探讨了超分散表面活性剂与常规表面活性剂之间的差异，为专门为依赖于润湿控制的应用而量身定做的分子结构的设计铺平了道路。
The intriguing ability of certain surfactant molecules to drive the superspreading of liquids to complete wetting on hydrophobic substrates is central to numerous applications that range from coating flow technology to enhanced oil recovery. Despite significant experimental efforts, the precise mechanisms underlying superspreading remain unknown to date. Here, we isolate these mechanisms by analyzing coarse-grained molecular dynamics simulations of surfactant molecules of varying molecular architecture and substrate affinity. We observe that for superspreading to occur, two key conditions must be simultaneously satisfied: the adsorption of surfactants from the liquid-vapor surface onto the three-phase contact line augmented by local bilayer formation. Crucially, this must be coordinated with the rapid replenishment of liquid-vapor and solid-liquid interfaces with surfactants from the interior of the droplet. This article also highlights and explores the differences between superspreading and conventional surfactants, paving the way for the design of molecular architectures tailored specifically for applications that rely on the control of wetting.