标题： 经典密度泛函理论用于纳米颗粒载滴 显示英文标题

标题： Classical density functional theory for nanoparticle-laden droplets

摘要： 纯流体如水的液滴在周围有气体的开放容器中，热力学上是不稳定的，会迅速蒸发。 在最近的一篇论文[Archer等人，J. Chem. Phys.{\bf 159}, 194403 (2023)]中，我们采用格子密度泛函理论（DFT）证明，溶解在液滴中的纳米颗粒或溶质可以使液滴热力学稳定，防止蒸发。 在本研究中，我们通过使用连续介质DFT扩展了我们的模型，这可以更准确地描述液滴内流体和纳米颗粒的密度分布，并使我们能够考虑纳米颗粒与溶剂粒子之间的尺寸比高达10:1。 虽然连续介质DFT的结果与我们早期的格子DFT结果一致，但我们的方法在这里使我们能够更深入地理解载有纳米颗粒的液滴的稳定性和结构。 鉴于最近全球新冠疫情，这一研究尤为重要，疫情突显了气溶胶颗粒在病毒传播中的关键作用。 了解这些含病毒气溶胶的稳定性和寿命对于评估它们对空气传播疾病的影响至关重要。 显示英文摘要

摘要： Droplets of a pure fluid, such as water, in an open container surrounded by gas, are thermodynamically unstable and evaporate quickly. In a recent paper [Archer et al. J. Chem. Phys. {\bf 159}, 194403 (2023)] we employed lattice density functional theory (DFT) to demonstrate that nanoparticles or solutes dissolved in a liquid droplet can make it thermodynamically stable against evaporation. In this study, we extend our model by using continuum DFT, which allows for a more accurate description of the fluid and nanoparticle density distributions within the droplet and enables us to consider size ratios between nanoparticles and solvent particles up to 10:1. While the results of the continuum DFT agrees well with those of our earlier lattice DFT findings, our approach here allows us to refine our understanding of the stability and structure of nanoparticle laden droplets. This is particularly relevant in light of the recent global COVID-19 pandemic, which has underscored the critical role of aerosol particles in virus transmission. Understanding the stability and lifetime of these viron-laden aerosols is crucial for assessing their impact on airborne disease spread.