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中国物理学会期刊

纳米颗粒状态转变影响沸腾传热的分子动力学研究

How the state transition of nanoparticles affects boiling heat transfer: A molecular dynamics study

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  • 纳米颗粒在流体中以悬浮与沉积两种状态存在,其状态会在沸腾过程中随颗粒高度变化而转变,从而显著影响传热性能。本文采用分子动力学模拟方法,研究了颗粒状态随初始高度的转变规律,并对比分析了沉积态与悬浮态纳米颗粒对沸腾传热的影响机制。研究表明,沉积态颗粒凭借与加热壁面间高效的固-固热传导,显著强化沸腾传热;而悬浮态颗粒主要通过热辐射与近场热传导从壁面获取能量,作为间接热源促进流体传热,其效果不及沉积态颗粒。两种状态的纳米颗粒对沸腾传热的强化效果均优于纯水体系,具体表现为更高的升温速率、更大的临界热流密度以及更早的气泡成核时间。此外,结合颗粒运动轨迹及其对沸腾传热性能的影响分析,本研究确定了颗粒状态转变的临界高度为hc=1.0 nm:当颗粒初始高度低于该临界值时,悬浮的颗粒最终沉积于加热壁面;而若初始高度高于此值,颗粒则始终保持悬浮状态。通过对纳米颗粒初始高度与临界热流密度及气泡成核时间进行无量纲拟合分析,发现颗粒高度对二者的影响在临界高度以下较为显著,而在临界高度以上影响明显减弱。该研究从纳米尺度揭示了颗粒状态影响沸腾传热的内在机理,为强化沸腾传热提供了理论依据。

    Nanoparticles exist in two states in fluids: suspended and deposited. Their state changes with particle height during boiling, significantly affecting heat transfer performance. This study adopts molecular dynamics simulations to investigate how particle state transforms with initial height, and compares the mechanisms by which deposited and suspended nanoparticles influence boiling heat transfer. Results show that deposited nanoparticles exhibit the most pronounced effect in enhancing boiling heat transfer, due to the efficient solid-solid heat conduction with the heating wall. Suspended nanoparticles mainly acquire energy from the wall via thermal radiation and near-field conduction, acting as an indirect heat source to promote heat transfer to the fluid, though their effect remains weaker than that of deposited particles. Both nanoparticle states enhance boiling heat transfer more effectively than pure water, corresponding to a higher heating rate, a larger critical heat flux, and an earlier bubble nucleation time. When the particles are deposited, the maximum critical heat flux is 3.74×10-4 eV/Å2·ps, which is approximately 32.1% higher than that of the suspended particles with 2.79×10-4 eV/Å2·ps. Meanwhile, the earliest bubble nucleation time of the deposited particles is 344 ps, which is approximately 39.4% shorter than that of the suspended particles with 568 ps. Whether nanoparticles deposit depends on the competitive relationship between the particle-wall interaction force and the fluid thermal disturbance force. By varying the initial distance between the nanoparticle and the heating wall rather than prescribing the particle state a priori, and thereby analyzing particle trajectories and their impact on heat transfer performance, a critical state-transition height of hc = 1.0 nm is identified: nanoparticles with an initial height below this value eventually deposit on the heating wall, whereas those initially above it remain suspended. Under the conditions of this study, only the transformation of suspended particles to the deposited state is observed, and no re-suspension of deposited particles is found. Furthermore, based on the non-dimensional analysis method at the molecular characteristic scale, a quantitative relationship is established between the initial height of nanoparticles and the critical heat flux as well as the bubble nucleation time: q*CHF = 69.0·h*-0.08, 0 < h* < 3.2; q*CHF = 63.0·h*-0.01, h* > 3.2; t* = 236.9·h*0.18, h* > 0. It reveals that the critical heat flux shows a decaying trend as the initial height increases, while the bubble nucleation time increases with height. Besides, the particle height influences both parameters markedly below the critical height, whereas its effect diminishes substantially above this threshold. This work elucidates the mechanism through which particle state and the transformation processes influence nanoscale boiling heat transfer, providing a theoretical foundation for enhancing boiling heat transfer.

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