Jarymowycz Lucien B, Ortoleva Peter J
Center for Cell and Virus Theory, Indiana University, Bloomington, IN 47405, USA.
J Chem Phys. 2006 Jun 21;124(23):234705. doi: 10.1063/1.2204037.
The structure of nanometer-scale droplets of weakly volatile liquids arises through the interplay of strong intermolecular attraction, and core intermolecular repulsion, interfacial forces, and the large, negative chemical potential of the low density vapor with which it is in equilibrium. Using a van der Waals equation of state and a mesoscopic multiphase model, the structure of such nanodroplets is determined via an asymptotic analysis in terms of the ambient to critical temperature ratio. The structure of a spherical droplet is obtained as the solution of a simple "shooting" problem. The intradroplet pressure profile and a minimal droplet size are determined. The high pressure in the core of the droplet gives evidence for the preferred melting there for systems like water with a negative volume of melting. Our methodology can be generalized to multiphase droplets, as well as to composite structures wherein viruses or other nanoparticles are embedded.
弱挥发性液体纳米级液滴的结构是由强分子间吸引力、核心分子间排斥力、界面力以及与其处于平衡状态的低密度蒸汽的大的负化学势之间的相互作用产生的。使用范德华状态方程和介观多相模型，通过根据环境温度与临界温度之比进行渐近分析来确定此类纳米液滴的结构。球形液滴的结构是作为一个简单的“射击”问题的解得到的。确定了液滴内的压力分布和最小液滴尺寸。对于像水这样具有负熔化体积的系统，液滴核心中的高压为那里优先熔化提供了证据。我们的方法可以推广到多相液滴以及嵌入病毒或其他纳米颗粒的复合结构。
