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碳纳米管本身所具有的卓越导热性能，使得基于碳纳米管所制备的纳米流体也同样具有较高的热导率，同时在碳纳米管表面添加官能团能够有效增强水/碳纳米管纳米流体的稳定性。本文将羟基化碳纳米管构建成为Janus颗粒，基于平衡分子动力学模拟方法，计算了基于羟基化碳纳米管的纳米流体热导率，并对其导热机理进行分析。计算结果表明，在基液吸附层密度增长、颗粒布朗运动增强以及界面热阻降低等因素的共同作用下，基于羟基化碳纳米管的纳米流体具有比普通碳纳米管纳米流体更强的导热性能。羟基化碳纳米管构建的Janus颗粒在基液中具备更强的布朗扩散能力，因而可以进一步提高水/碳纳米管纳米流体的热导率。本文揭示了基于羟基化Janus碳纳米管的纳米流体导热机理，为新型传热工质制备提供参考。The excellent thermal conductivity of the carbon nanotubes leads to the high thermal conductivity of the nanofluids prepared from carbon nanotubes. The addition of functional groups on the surface of the carbon nanotubes can enhance the stability of the water/CNT nanofluids. The excellent diffusion properties of the Janus particles result in the elevated thermal conductivity of the Janus nanofluids. In the present paper, we construct Hydroxylated single-walled carbon nanotubes(SWCNT-OH) particles as Janus particles and propose a water/SWCNT-OH-Janus nanofluid model by introducing SWCNT-OH particles into a base fluid (water). By using equilibrium molecular dynamics simulations, the thermal conductivity of nanofluids are calculated. The underlying mechanism of the enhanced thermal conductivity is investigated based on the analysis of the solid-like liquid layers formed by liquid molecules around particles, Brownian motion of CNT particles, and CNT/water interfacial thermal resistance. It can be concluded that the thermal conductivity of the nanofluids with SWCNT-OH particles can be enhanced compared with the nanofluids with normal SWCNT particles. The hydrogen bond between hydroxyl group and water molecules results in the adsorption of water molecules to the surface of carbon nanotube. This process increases the density of the liquid adsorption layer on the CNT surface, thereby enhancing the effect of the solid-liquid layer. The hydroxyl groups on the CNT surface degrade the solid-liquid interfacial thermal resistance, which promotes the heat transfer within the nanofluids. Moreover, the hydroxyl groups also enhance the interaction between the CNT particle and the water molecules，leading to stronger particle Brownian motion. The combination of these factors should be responsible for the enhancement thermal conductivity of the water/SWCNT-OH nanofluids. For SWCNT-OH-Janus nanofluids, the thermal conductivity can be further enhanced, owing to the strong Brownian motion of the Janus particles.
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Keywords:
- Nanofluids /
- Single-walled carbon nanotubes /
- Janus particles /
- Hydroxide /
- Molecular dynamics simulation
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