Tascini Anna Sofia, Armstrong Jeff, Chiavazzo Eliodoro, Fasano Matteo, Asinari Pietro, Bresme Fernando
Department of Chemistry, Imperial College London, SW7 2AZ, UK.
Department of Energy, Politecnico di Torino, 10129, Torino, Italy.
Phys Chem Chem Phys. 2017 Jan 25;19(4):3244-3253. doi: 10.1039/c6cp06403e.
We investigate the general dependence of the thermal transport across nanoparticle-fluid interfaces using molecular dynamics computations. We show that the thermal conductance depends strongly both on the wetting characteristics of the nanoparticle-fluid interface and on the nanoparticle size. Strong nanoparticle-fluid interactions, leading to full wetting states in the host fluid, result in high thermal conductances and efficient interfacial transport of heat. Weak interactions result in partial drying or full drying states, and low thermal conductances. The variation of the thermal conductance with particle size is found to depend on the fluid-nanoparticle interactions. Strong interactions coupled with large interfacial curvatures lead to optimum interfacial heat transport. This complex dependence can be modelled using an equation that includes the interfacial curvature as a parameter. In this way, we rationalise the existing experimental and computer simulation results and show that the thermal transport across nanoscale interfaces is determined by the correlations of both interfacial curvature and nanoparticle-fluid interactions.
我们利用分子动力学计算研究了纳米颗粒 - 流体界面间热输运的一般依赖性。我们表明，热导率强烈依赖于纳米颗粒 - 流体界面的润湿性以及纳米颗粒的尺寸。纳米颗粒与流体间的强相互作用导致主体流体处于完全润湿状态，从而产生高的热导率和高效的界面热输运。弱相互作用则导致部分干燥或完全干燥状态以及低热导率。发现热导率随颗粒尺寸的变化取决于流体 - 纳米颗粒相互作用。强相互作用与大的界面曲率相结合导致最佳的界面热输运。这种复杂的依赖性可以用一个将界面曲率作为参数的方程来建模。通过这种方式，我们对现有的实验和计算机模拟结果进行了合理化分析，并表明纳米尺度界面间的热输运由界面曲率和纳米颗粒 - 流体相互作用的相关性共同决定。
