Theodorakis Panagiotis E, Müller Erich A, Craster Richard V, Matar Omar K
Department of Chemical Engineering, Imperial College London, South Kensington Campus, London SW7 2AZ, UK.
Department of Mathematics, Imperial College London, South Kensington Campus, London SW7 2AZ, UK.
Soft Matter. 2015 Dec 28;11(48):9254-61. doi: 10.1039/c5sm02090e.
The surfactant-driven superspreading of droplets on hydrophobic substrates is considered. A key element of the superspreading mechanism is the adsorption of surfactant molecules from the liquid-vapour interface onto the substrate through the contact line, which must be coordinated with the replenishment of interfaces with surfactant from the interior of the droplet. We use molecular dynamics simulations with coarse-grained force fields to provide a detailed structural description of the droplet shape and surfactant dynamics during the superspreading process. We also provide a simple method for accurate estimation of the contact angle subtended by the droplets at the contact line.
研究了表面活性剂驱动的液滴在疏水基底上的超铺展现象。超铺展机制的一个关键要素是表面活性剂分子从液-气界面通过接触线吸附到基底上，这必须与液滴内部向界面补充表面活性剂相协调。我们使用具有粗粒化力场的分子动力学模拟，对超铺展过程中液滴形状和表面活性剂动力学进行了详细的结构描述。我们还提供了一种简单的方法，用于精确估计液滴在接触线处的接触角。
