Molecular dynamics study on effect of wettability on boiling heat transfer of thin liquid films

Bai Pu; Wang Deng-Jia; Liu Yan-Feng

doi:10.7498/aps.73.20232026

Abstract

How surface wettability affects boiling heat transfer of thin liquid film on a nanoscale remains a challenging research topic. In this work, the effects of wettability on the nanoscale boiling heat transfer for a thin liquid film on hydrophilic surface and hydrophobic surface are investigated by molecular dynamics simulation. Results demonstrate that the hydrophilic surface has better heat transfer performance than the hydrophobic surface. It has a shorter boiling onset time, higher temperature, heat flux, interfacial thermal conductance, and weakened interfacial thermal resistance. The hydrophilic surface throughout has higher critical heat flux than the hydrophobic surface in both macro-system and nanoscale system. Besides, a two-dimensional surface potential energy is proposed to reveal the mechanism of wettability affecting the boiling heat transfer. The absolute value of potential energy in one regular unit of hydrophilicity (–0.34 eV) is much higher than that of hydrophobicity (–0.09 eV). That is the crucial reason why the heat transfer enhancement via improving surface wettability should be primarily the powerful surface potential energy. In addition, the interaction energy is calculated to further address the nucleation mechanism and heat transfer performance for liquid film on different wettability surfaces. The interaction energy values are ordered as I_phi (1.57 eV/nm²) > I_water (0.48 eV/nm²) > I_pho (0.26 eV/nm²), indicating that the better heat transfer performance of hydrophilic surface is because of the large interaction energy at the solid/liquid interface. Besides, the bubble nucleation on a hydrophilic surface needs absorbing more energy and occurs inside the thin liquid film, while it needs absorbing less energy and triggering off at the solid/liquid interface with hydrophobicity. Those uncover the principal mechanisms of how wettability influences the bubble nucleation and boiling heat transfer performance on a nanoscale.

Keywords:

Authors and contacts

1.
State Key Laboratory of Green Building in China, Xi’an University of Architecture and Technology, Xi’an 710055, China
2.
School of Building Services Science and Engineering, Xi’an University of Architecture and Technology, Xi’an 710055, China

Corresponding author: Bai Pu, bp1512905225@163.com

Funds: Project supported by the Key Science and Technology Program of Shaanxi Province, China (Grant No. 2024JC-YBQN-0515).

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References

[1]	曹春蕾, 何孝天, 马骁婧, 徐进良 2021 物理学报 70 134703 Google Scholar Cao C L, He X T, M X J, Xu J L 2021 Acta Phys. Sin. 70 134703 Google Scholar
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[3]	Xiong K N, Luo Y H, Hu Y X, Wang S F 2024 Int. J. Therm. Sci. 196 108719 Google Scholar
[4]	Hu H T, Zhao Y X, Lai Z C, Hu C Y 2021 Int. J. Therm. Sci. 168 107096 Google Scholar
[5]	Zhang L, Wang T, Kim S, Tan S, Jiang Y Y 2019 Appl. Phys. Lett. 115 103701 Google Scholar
[6]	Zhang L, Wang T, Jiang Y Y, Kim S, Guo C H 2018 Int. J. Heat Mass Transfer. 122 775 Google Scholar
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[13]	Chen Y J, Chen B N, Yu B, Tao W Q, Zou Y 2020 Langmuir 36 5336 Google Scholar
[14]	Yin X Y, Hu C Z, Bai M L, Lü J Z 2019 Int. Commun. Heat Mass Transfer 109 104390 Google Scholar
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[22]	Li Y Y, Li Y, Jiao W, Chen X Q, Lu G 2021 Int. J. Heat Mass Transfer 170 120996 Google Scholar
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[31]	Chen Y J, Yu B, Zou Y, Chen B N, Tao W Q 2020 Int. J. Heat Mass Transfer 158 119850 Google Scholar
[32]	Wang B B, Xu Z M, Wang X D, Yan W M 2018 Int. J. Heat Mass Transfer 125 756 Google Scholar
[33]	Hu H, Sun Y 2016 Int. J. Heat Mass Transfer 101 878 Google Scholar
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Cited By

图 1 系统初始模型

Figure 1. Initial snapshots of simulated system.

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图 2 水分子在亲疏水表面上相变行为的快照　(a) 亲水表面; (b) 疏水表面

Figure 2. Snapshots of phase-change behavior for liquid water on (a) hydrophilic and (b) hydrophobic surfaces.

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图 3 亲疏水表面(a)气泡体积和(b)液膜体积变化图

Figure 3. Variation of (a) bubble volume and (b) water film volume on hydrophilic and hydrophobic surfaces.

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图 4 (a)亲水和(b)疏水表面氧原子的径向分布函数

Figure 4. Radial distribution function of O-O atoms on (a) hydrophilic and (b) hydrophobic surfaces.

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图 5 基底和水分子的温度变化图

Figure 5. Temperatures of substrate wall and liquid water.

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图 6 亲疏水表面上水分子的热流密度变化图

Figure 6. Heat flux for water molecules over hydrophilic and hydrophobic surfaces.

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图 7 亲疏水表面上水分子的界面热导变化图

Figure 7. Interfacial thermal conductance for water molecules on hydrophilic and hydrophobic surfaces.

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图 8 亲疏水表面上水分子的界面热阻变化图

Figure 8. Interfacial thermal resistances for water molecules over hydrophilic and hydrophobic surfaces.

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图 11 亲疏水表面1 nm区域内水分子数量变化图

Figure 11. Variation of the number of water molecules within the 1 nm region of the hydrophilic and hydrophobic surfaces.

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图 9 水分子与铜基底的相互作用

Figure 9. Interactions between water molecules and real copper surface.

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图 10 亲疏水表面的相互作用势能分布图　(a) 亲水表面; (b) 疏水表面

Figure 10. Distribution of interaction potential energy for the (a) hydrophilic and (b) hydrophobic plate surfaces in a periodic cell.

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图 12 亲疏水表面铜-氧原子的VDOS

Figure 12. VDOS of Cu and O for the hydrophilic and hydrophobic surfaces.

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图 13 相互作用能计算过程示意图

Figure 13. Schematic computation process of interaction energy.

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表 1 原子间作用势能参数

Table 1. Potential energy and related parameters between particles.

粒子 i, j q_e/e σ_ij/Å ε_ij/eV

H-H +0.52 0.00 0.0000

O-O –1.04 3.165 0.006998

Cu-Cu — 2.33 0.4096

Cu-H — 0.00 0.0000

Cu-O(亲水) — 2.75 0.034

Cu-O(疏水) — 2.75 0.009

DownLoad: CSV

[1]	曹春蕾, 何孝天, 马骁婧, 徐进良 2021 物理学报 70 134703 Google Scholar Cao C L, He X T, M X J, Xu J L 2021 Acta Phys. Sin. 70 134703 Google Scholar
[2]	刘飞龙, 程彦锟, 张境恒, 唐彪, 周国富 2023 物理学报 72 208501 Google Scholar Liu F L, Cheng Y K, Zhang J H, Tang B, Zhou G F 2023 Acta Phys. Sin. 72 208501 Google Scholar
[3]	Xiong K N, Luo Y H, Hu Y X, Wang S F 2024 Int. J. Therm. Sci. 196 108719 Google Scholar
[4]	Hu H T, Zhao Y X, Lai Z C, Hu C Y 2021 Int. J. Therm. Sci. 168 107096 Google Scholar
[5]	Zhang L, Wang T, Kim S, Tan S, Jiang Y Y 2019 Appl. Phys. Lett. 115 103701 Google Scholar
[6]	Zhang L, Wang T, Jiang Y Y, Kim S, Guo C H 2018 Int. J. Heat Mass Transfer. 122 775 Google Scholar
[7]	Lee S W, Park S D, Bang I C 2012 Int. J. Heat Mass Transfer 55 6908 Google Scholar
[8]	Jo H J, Kim S, Park H S, Kim M H 2014 Int. J. Multiphase Flow 62 101 Google Scholar
[9]	张龙艳, 徐进良, 雷俊鹏 2018 物理学报 67 234702 Google Scholar Zhang L Y, Xu J L, Lei J P 2018 Acta Phys. Sin. 67 234702 Google Scholar
[10]	Wang Y H, Wang S Y, Lu G, Wang X D 2019 Int. J. Heat Mass Transfer 132 1277 Google Scholar
[11]	Cao Q, Cui Z 2019 Numer. Heat Transfer, Part A 75 533 Google Scholar
[12]	Hens A, Agarwal R, Biswas G 2014 Int. J. Heat Mass Transfer 71 303 Google Scholar
[13]	Chen Y J, Chen B N, Yu B, Tao W Q, Zou Y 2020 Langmuir 36 5336 Google Scholar
[14]	Yin X Y, Hu C Z, Bai M L, Lü J Z 2019 Int. Commun. Heat Mass Transfer 109 104390 Google Scholar
[15]	Wang Z, Li L 2 0122 Int. J. Heat Mass Transfer 183 122059 Google Scholar
[16]	Tian P, Ge W X, Li S S, Gao L, Jiang J H, Xu Y D 2023 Chin. Phys. Lett. 40 067802 Google Scholar
[17]	曹炳阳, 张梓彤 2022 物理学报 71 014401 Google Scholar Cao B Y, Zhang Z T 2022 Acta Phys. Sin. 71 014401 Google Scholar
[18]	张龙艳, 徐进良, 雷俊鹏 2019 物理学报 68 020201 Google Scholar Zhang L Y, Xu J L, Lei J P 2019 Acta Phys. Sin. 68 020201 Google Scholar
[19]	Mao Y J, Zhang Y W 2014 Appl. Therm. Eng. 62 607 Google Scholar
[20]	曹炳阳, 陈民, 过增元 2005 高等学校化学学报 26 277 Google Scholar Cao B Y, Chen M, Guo Z Y 2005 Chem. J. Chin. Univ. 26 277 Google Scholar
[21]	Zhong X G, Liu Y S, Yao Y C, He B, Wen B H 2023 Chin. Phys. B 32 054701 Google Scholar
[22]	Li Y Y, Li Y, Jiao W, Chen X Q, Lu G 2021 Int. J. Heat Mass Transfer 170 120996 Google Scholar
[23]	Dang K, Chen J, Rodgers B, Fensin S 2023 Comput. Phys. Commun. 286 108667 Google Scholar
[24]	Stukowski A 2010 Modell. Simul. Mater. Sci. Eng. 18 015012 Google Scholar
[25]	Deng W, Ma S H, Li W M, Liu H Q, Zhao J Y 2022 Int. J. Heat Mass Transfer 191 122856 Google Scholar
[26]	唐修行, 陈泓樾, 王婧婧, 王志军, 臧渡洋 2023 物理学报 19 196801 Google Scholar Tang X X, Chen H Y, Wang J J, Wang Z J, Zang D Y 2023 Acta Phys. Sin. 19 196801 Google Scholar
[27]	Yin X Y, Hu C Z, Bai M L, Lü J Z 2020 Int. J. Heat Mass Transfer 162 120338 Google Scholar
[28]	Wang W R, Huang S H, Luo X S 2016 Int. J. Heat Mass Transfer 100 276 Google Scholar
[29]	Cai J J, Gong Z Q, Tan B 2023 Int. J. Therm. Sci. 184 107966 Google Scholar
[30]	Surblys D, Kawagoe Y, Shibahara M, Ohara T J 2019 J. Chem. Phys. 150 114705 Google Scholar
[31]	Chen Y J, Yu B, Zou Y, Chen B N, Tao W Q 2020 Int. J. Heat Mass Transfer 158 119850 Google Scholar
[32]	Wang B B, Xu Z M, Wang X D, Yan W M 2018 Int. J. Heat Mass Transfer 125 756 Google Scholar
[33]	Hu H, Sun Y 2016 Int. J. Heat Mass Transfer 101 878 Google Scholar
[34]	胡剑, 张森, 娄钦 2023 物理学报 72 176401 Google Scholar Hu J, Zhang S, Lou Q 2023 Acta Phys. Sin. 72 176401 Google Scholar
[35]	赵昶, 纪献兵, 杨聿昊, 孟宇航, 徐进良, 彭家略 2022 物理学报 71 214701 Google Scholar Zhao C, Ji X B, Yang Y H, Meng Y H, Xu J L Peng J L 2022 Acta Phys. Sin. 71 214701 Google Scholar

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