Atomistic Modeling of Condensation Over Nano-Structured Surface

M. Hasan, Md. Hafijur Rahman, Salauddin Omar, C. Akhter
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Abstract

Present study has been performed to understand condensation characteristics of argon vapor over nano-structured surface using non equilibrium molecular dynamics (MD) simulation. Main focus of this study is to explore the effect of condensation surface increment due to presence of nano-structure (considering flat surface as reference), solid-liquid interfacial wettability and condensation wall temperature. The simulation domain is a horizontal cuboid system that has two platinum walls at two opposite ends, left wall as the evaporation wall and the right wall as the condensation wall. Liquid argon was placed over the evaporation wall and the rest of the domain was filled with argon vapor. Various platinum nano-structured configurations were used to vary the surface area of the condensation wall. The system is first equilibrated at 90 K for a while and the evaporation of liquid argon is achieved by increasing the evaporation wall temperature at 130 K. The condensation of argon vapor is assumed for two different condensation temperatures such as 90 K and 110 K. The results indicate that condensation improves with condensation surface increment due to presence of nano-structure. Also it shows that the effect of condensation surface increment due to presence of nano-structure is drastically reduced with increasing solid-liquid interfacial wettability. The condensation at 110 K was poor compared to condensation at 90 K. The obtained results has been presented and discussed from macroscopic approach in terms of condensation mass flux, thermodynamic heat flux and time averaged wall heat flux.
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纳米结构表面凝结的原子模拟
本文采用非平衡分子动力学(MD)模拟方法研究了氩气在纳米结构表面的冷凝特性。本研究的主要重点是探讨纳米结构(以平面为参照)、固液界面润湿性和冷凝壁温度的存在对冷凝面增量的影响。模拟域是一个水平长方体系统,在相对的两端有两个铂壁,左壁为蒸发壁,右壁为冷凝壁。在蒸发壁上放置液态氩气,其余区域充满氩气。采用不同的铂纳米结构来改变冷凝壁的表面积。首先在90k温度下平衡系统一段时间,然后在130k温度下提高蒸发壁温度实现液氩的蒸发。假设氩气在90k和110k两种不同的冷凝温度下冷凝。结果表明,由于纳米结构的存在,随着缩聚表面的增加,缩聚效果有所改善。随着固液界面润湿性的增加,纳米结构的存在对缩合面增加的影响显著减小。与90 K的冷凝相比,110 K的冷凝效果较差。从宏观的角度,从凝结质量通量、热力学热通量和时间平均壁面热通量三个方面对所得结果进行了介绍和讨论。
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