不同润湿表面液体沸腾的分子动力学模拟

doi:10.16085/j.issn.1000-6613.2019-2091

摘要/Abstract

摘要：

采用分子动力学方法研究纳米尺度下液氩在过热基板上的沸腾过程。通过调节固液间相互作用的方式改变壁面润湿性，模拟并分析了壁面润湿性对沸腾过程中能量传递和液体运动情况的影响。结果表明：不同润湿性表面均会发生固液分离的现象，但是固体表面附近吸附的氩原子数密度随润湿性增强而增大；润湿性较强时，液体的能量上升快，热通量高，液体内部温度梯度大，发生固液分离时间早，系统中氩的温度和能量低，上升过程中液氩密度、厚度变化小；润湿性较弱时，液体的能量上升慢，热通量小，液体内部温度梯度小，发生固液分离时间延后，系统中氩的温度、能量更高，上升过程中液氩密度、厚度变化较大。下部气体压力整体上大于上部气体压力，发生固液分离时润湿性越强的表面上液体上下压差越大，首次上升过程能达到的高度越高，所需时间越短。

关键词: 润湿性, 沸腾, 传热, 微尺度, 分子模拟

Abstract:

The boiling process of liquid argon on superheated substrates at nanoscale was investigated by molecular dynamics simulations. The wall wettability was changed by changing the way of solid-liquid interaction. The effects of wall wettability on energy transfer and liquid motion during boiling were simulated and analyzed. The results showed that solid-liquid separation occurs on different wettable surfaces. As the wettability increases, the number density of argon atoms adsorbed near the solid surface increases. When the wettability is strong, the energy of the liquid rises faster. The heat flux is greater and the temperature gradient inside the liquid is larger. The solid-liquid separation phenomenon occurs earlier, and the temperature and energy of argon in the system are lower. The density and thickness of the liquid change less during the ascent. When the wettability is weak, the energy of the liquid rises more slowly. The heat flux density is smaller, and the temperature gradient inside the liquid is smaller. The solid-liquid separation phenomenon takes more time, and the temperature and energy of argon in the system are higher. The density and thickness of the liquid change more significantly during the ascent. The lower gas pressure is generally greater than the upper gas pressure. When solid-liquid separation occurs, the pressure difference between the liquid on the surface with strong wettability is more obvious, and the height of the first ascent process can reach a higher height and take less time.

Key words: wettability, boiling, heat transfer, microscale, molecular dynamic

中图分类号:

TK 124

张石重, 陈占秀, 杨历, 苗瑞灿, 张子剑. 不同润湿表面液体沸腾的分子动力学模拟[J]. 化工进展, 2020, 39(10): 3892-3899.

Shizhong ZHANG, Zhanxiu CHEN, Li YANG, Ruican MIAO, Zijian ZHANG. Molecular dynamics simulation of liquid boiling on different wetting surfaces[J]. Chemical Industry and Engineering Progress, 2020, 39(10): 3892-3899.

参考文献

1	RIOFR O M C, CANEY N, GRUSS J A. State of the art of efficient pumped two-phase flow cooling technologies [J]. Applied Thermal Engineering, 2016, 104: 333-343.
2	陈宏霞, 黄林滨, 宫逸飞. 多孔结构及表面浸润性对池沸腾传热影响的研究进展[J]. 化工进展, 2017, 36(8): 2798-2808.
2	CHEN Hongxia, HUANG Linbin, GONG Yifei. Progress on boiling heat transfer from porous structure and surface wettability [J]. Chemical Industry and Engineering Progress, 2017, 36(8): 2798-2808.
3	郑晓欢, 纪献兵, 王野, 等. 超亲/疏水性表面池沸腾传热研究[J]. 化工进展, 2016, 35(12): 3793-3798.
3	ZHENG Xiaohuan, JI Xianbing, WANG Ye, et al. Pool boiling heat transfer on superhydrophilic and superhydrophobic surfaces [J]. Chemical Industry and Engineering Progress, 2016, 35(12): 3793-3798.
4	马强, 吴晓敏, 朱毅. 表面润湿性对核态池沸腾影响的实验研究[J]. 工程热物理学报, 2019, 40(3): 635-638.
4	MA Qiang, WU Xiaomin, ZHU Yi. Experimental investigation of the effect of surface wettability on nucleate pool boiling [J]. Journal of Engineering Thermophysics, 2019, 40(3): 635-638.
5	NAGAYAMA G, TSURUTA T, CHENG Ping. Molecular dynamics simulation on bubble formation in a nanochannel [J]. International Journal of Heat and Mass Transfer, 2006, 49(23/24): 4437-4443.
6	郑文秀, 厉思杰, 白博峰. 壁面润湿性对沸腾核化的影响[J]. 工程热物理学报, 2016, 37(1): 111-115.
6	ZHENG Wenxiu, LI Sijie, BAI Bofeng. Efffect of surface wettability on boiling nucleation [J]. Journal of Engineering Thermophysics， 2016, 37(1): 111-115.
7	张龙艳, 徐进良, 雷俊鹏. 纳米尺度下气泡核化生长的分子动力学研究[J]. 物理学报, 2018, 67(23): 172-182.
7	ZHANG Longyan, XU Jinliang, LEI Junpeng. Molecular dynamics study of bubble nucleation on a nanoscale [J]. Acta Physica Sinca, 2018, 67(23): 172-182.
8	PENG Bei, HE Weiguo, HAO Xiaohong, et al. Interfacial thermal conductance and thermal accommodation coefficient of evaporating thin liquid films: a molecular dynamics study [J]. Computational Materials Science, 2014, 87: 260-266.
9	CHEN Yujie, ZOU Yu, WANG Yi, et al. Bubble nucleation on various surfaces with inhomogeneous interface wettability based on molecular dynamics simulation [J]. International Communications in Heat and Mass Transfer, 2018, 98: 135-142.
10	HENS A, AGARWAL R, BISWAS G. Nanoscale study of boiling and evaporation in a liquid Ar film on a Pt heater using molecular dynamics simulation [J]. International Journal of Heat and Mass Transfer, 2014, 71(1): 303-312.
11	MAO Yijin, ZHANG Yuwen. Molecular dynamics simulation on rapid boiling of water on a hot copper plate [J]. Applied Thermal Engineering, 2014, 62(2): 607-612.
12	SEYF H R, ZHANG Yuwen. Effect of nanotextured array of conical features on explosive boiling over a flat substrate: a nonequilibrium molecular dynamics study [J]. International Journal of Heat and Mass Transfer, 2013, 66: 613-624.
13	HASAN M N, SHAVIK S M, RABBI K F, et al. Phase change characteristics of ultra-thin liquid argon film over different flat substrates at high wall superheat for hydrophilic/hydrophobic wetting condition: a non-equilibrium molecular dynamics study [J]. Journal of Chemical Engineering, 2017, 29(1): 49-55.
14	YU Jiapeng, WANG Hao. A molecular dynamics investigation on evaporation of thin liquid films [J]. International Journal of Heat and Mass Transfer, 2012, 55(4): 1218-1225.
15	孙杰, 何雅玲, 李印实, 等. 膜状冷凝初期过程的分子动力学模拟研究[J]. 西安交通大学学报, 2007, 41(9): 1087-1091.
15	SUN Jie, HE Yaling, LI Yinshi, et al. Molecular dynamics study on early stage of filmwise condensation [J]. Journal of Xi'an Jiaotong University, 2007, 41(9): 1087-1091.
16	CAO Qun, CUI Zheng. Molecular dynamics simulations of the effect of surface wettability on nanoscale liquid film phase-change [J]. Numer Heat Transfer A: Applications, 2019, 75(8): 533-547.

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