Molecular dynamics study on influence of geometric characteristics of microstructure surface on steam condensation

GONG Luyuan; WEI Xinding; HAN Tao; GUO Yali; SHEN Shengqiang

doi:10.7498/aps.74.20250324

Abstract

Steam condensation is a common physical phenomenon in nature and plays an important role in various industrial processes. Therefore, the regulation mechanism of steam condensation process has been widely concerned by scholars in recent years. In this paper, the molecular dynamics simulation method is used to study the vapor condensation behavior of copper surface by establishing a secondary microstructure model. The influences of different geometrical characteristics on the condensation process are discussed by analyzing the nucleation and merging time of droplets, the vapor condensation snapshot, the total number of condensed water molecules, and the total number of water molecules in the maximum condensed drop. With the increase of column width or column height ratio, the molecular weight of the total condensed water first increases and then decreases.

Keywords:

Authors and contacts

National and Local Joint Engineering Research Center for Comprehensive Utilization of Thermal Energy Technology, School of Energy and Power Engineering, Dalian University of Technology, Dalian 116024, China

Corresponding author: GUO Yali, ylguo@dlut.edu.cn

Funds: Project supported by the National Natural Science Foundation of China (Grant No. 52106075).

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References

[1]	Guelen S C 2013 J. Eng. Gas Turb. Power 135 12
[2]	Dykas S, Majkut M, Smołka K, Strozik M 2018 Proc. Institut. Mech. Eng. A J. Pow. 232 501 Google Scholar
[3]	周大平 2023 辽宁化工 52 609 Google Scholar Zhou D P 2023 Liaoning Chem. Ind. 52 609 Google Scholar
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[15]	费媛媛, 贾志海, 肖昌昊, 张涛, 陈梦谣 2019 工程热物理学报 40 926 Fei Y Y, Jia Z H, Xiao C H, Zhang T, Chen M Y 2019 J. Eng. Thermophys. 40 926
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[18]	王亚明, 刘永利, 张林 2019 物理学报 68 166402 Google Scholar Wang Y M, Liu Y L, Zhang L 2019 Acta Phys. Sin. 68 166402 Google Scholar
[19]	徐珂, 许龙, 周光平 2021 物理学报 70 194301 Google Scholar Xu K, Xu L, Zhou G P 2021 Acta Phys. Sin. 70 194301 Google Scholar
[20]	李文, 马骁婧, 徐进良, 王艳, 雷俊鹏 2021 物理学报 70 126101 Google Scholar Li W, Ma X J, Xu J L, Wang Y, Lei J P 2021 Acta Phys. Sin. 70 126101 Google Scholar
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[24]	Wang Z, Wang S, Wang D Q, Yang Y R, Wang X D, Lee D J 2023 Int. J. Heat Mass 12 29
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[28]	Jones J E 1924 Proc. Roy. Soc. A 106 463
[29]	杨世铭, 陶文铨 2006 传热学(第4版) (北京: 高等教育出版社) 第563页 Yang S M, Tao W Q 2006 Heat Transfer (4th Ed.) (Beijing: Higher Education Press) p563

Cited By

图 1 二级微结构基础单元

Figure 1. Secondary microstructural base unit.

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图 2 不同微柱几何表面俯视图和正视图　(a) 改变柱宽度; (b) 改变柱间距; (c) 改变柱高度; (d) 改变柱形状

Figure 2. Top view and front view of different micro-column geometric surfaces: (a) Change the width of the column; (b) change of column spacing; (c) change the height of the column; (d) change the shape of the column.

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图 3 二级微结构表面水蒸气凝结的物理模型

Figure 3. Physical model of steam condensation on the surface of secondary microstructure.

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图 4 接触角随势阱深度变化图

Figure 4. Diagram of contact Angle variation with potential well depth.

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图 5 不同形态下的液滴形态主视图　(a) 初始形态下的正方体液滴; (b) 无外界作用的液滴形态; (c) 有铜板作用的液滴形态

Figure 5. Droplet morphology in different morphology main view: (a) Cuboid droplet in initial morphology; (b) droplet morphology without external action; (c) droplet morphology with copper plate action.

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图 6 铜板壁面真实层温度随时间的变化

Figure 6. Change of real layer temperature of copper plate wall with time.

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图 7 凝结水的密度随时间的变化

Figure 7. Change of the density of condensate with time.

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图 8 不同柱宽度条件下, 凝结水分子总数与时间的关系

Figure 8. Relationship between the total number of condensed water molecules and time under different column widths.

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图 9 不同柱高比条件下, 凝结水分子总数与时间的关系

Figure 9. The relationship between the total number of condensed water molecules and time under different column height ratio.

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图 10 不同柱结构条件下, 凝结水分子总数与时间的关系

Figure 10. Relationship between the total number of condensed water molecules and time under different column structure conditions.

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图 11 液滴成核时间随柱宽度的变化

Figure 11. Change of droplet nucleation time with column width.

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图 12 液滴成核时间随柱间距的变化

Figure 12. Change of droplet nucleation time with column spacing.

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图 13 液滴成核时间随柱结构的变化

Figure 13. Change of droplet nucleation time with column structure.

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图 14 不同柱宽度条件下, 二级微结构表面不同时刻液滴行为快照

Figure 14. A snapshot of droplet behavior on the surface of secondary microstructure at different times under different column widths.

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图 15 不同柱间距条件下, 二级微结构表面不同时刻液滴行为快照

Figure 15. A snapshot of droplet behavior on the surface of secondary microstructures at different times under different column spacing conditions.

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图 16 不同柱间距条件下, 二级微结构表面不同时刻液滴行为快照

Figure 16. A snapshot of droplet behavior on the surface of secondary microstructures at different times under different column spacing conditions.

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图 17 不同柱宽度条件下, 最大凝结液滴内水分子总数与时间的关系

Figure 17. Relationship between the total number of water molecules in the maximum condensed drop and time under different column widths.

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图 18 不同柱间距条件下, 最大凝结液滴内水分子总数与时间的关系

Figure 18. Relationship between the total number of water molecules in the maximum condensed drop and time at different column spacing.

DownLoad: Full-Size Img PowerPoint

图 19 不同柱高比条件下, 最大凝结液滴内水分子总数与时间的关系

Figure 19. Relationship between the total number of water molecules in the maximum condensed drop and time under different column height ratios.

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表 1 L-J势函数内各原子模拟参数

Table 1. Simulation parameters of each atom in L-J potential function.

	ε/eV	σ/Å	电荷/e
H—H	0	0	0.5242
O—O	0.0070	3.1644	–1.0484
Cu-1—H	0	0	0
Cu-1—O	0.0216	2.2307	0
Cu-1—Cu-1	0.5203	2.2973	0
Cu-2—H	0	0	0
Cu-2—O	0.0144	2.2307	0
Cu-2—Cu-2	0.5203	2.2973	0

DownLoad: CSV

[1]	Guelen S C 2013 J. Eng. Gas Turb. Power 135 12
[2]	Dykas S, Majkut M, Smołka K, Strozik M 2018 Proc. Institut. Mech. Eng. A J. Pow. 232 501 Google Scholar
[3]	周大平 2023 辽宁化工 52 609 Google Scholar Zhou D P 2023 Liaoning Chem. Ind. 52 609 Google Scholar
[4]	王玉东 2018 化工设计通讯 44 206 Google Scholar Wang Y D 2018 Chem. Eng. Design Commun. 44 206 Google Scholar
[5]	蒋树杨 2019 化工与医药工程 40 24 Jiang S Y 2019 Chem. Pharmaceut. Eng. 40 24
[6]	Esmaeeli A, Passandideh-Fard M 2020 IJST T. Mech. Eng. 45 535
[7]	Gordon B E, Karabulin V A, Krasnokutski A S, Matyushenko V I, Khodos I I 2017 High Energy Chem. 51 245 Google Scholar
[8]	梅路遥2021硕士学位论文 (南昌: 南昌大学) Mei L Y 2021 M. S. Thesis (Nanchang: Nanchang University
[9]	温荣福, 马学虎, 兰忠, 彭本利, 徐威 2015 科学通报 60 2784 Google Scholar Wen R F, Ma X H, Lan Z, Peng B L, Xu W 2015 Chin. Sci. Bull. 60 2784 Google Scholar
[10]	兰忠, 朱霞, 彭本利, 林勐, 马学虎 2012 物理学报 61 150508 Google Scholar Lan Z, Zhu X, Peng B L, Lin M, Ma X H 2012 Acta Phys. Sin. 61 150508 Google Scholar
[11]	胡梦丹, 张庆宇, 孙东科, 朱鸣芳 2019 物理学报 68 030501 Google Scholar Hu M D, Zhang Q Y, Sun D K, Zhu M F 2019 Acta Phys. Sin. 68 030501 Google Scholar
[12]	范增华, 荣伟彬, 刘紫潇, 高军, 田业冰 2020 物理学报 69 186801 Google Scholar Fan Z H, Rong W B, Liu Z X, Gao J, Tian Y B 2020 Acta Phys. Sin. 69 186801 Google Scholar
[13]	李春曦, 马成, 叶学民 2023 物理学报 72 024702 Google Scholar Li C X, Ma C, Ye X M 2023 Acta Phys. Sin. 72 024702 Google Scholar
[14]	Ouyang Y Y 2017 M. S. Thesis (Beijing: North China Electric Power University)](in Chinese)[欧阳袁渊2017硕士学位论文 (北京: 华北电力大学)]
[15]	费媛媛, 贾志海, 肖昌昊, 张涛, 陈梦谣 2019 工程热物理学报 40 926 Fei Y Y, Jia Z H, Xiao C H, Zhang T, Chen M Y 2019 J. Eng. Thermophys. 40 926
[16]	Wang X, Xu B, Liu Q S, Yang Y, Chen Z Q 2021 Int. J. Heat Mass 177 121526 Google Scholar
[17]	Aminian E, Kamali M, Vatanjoo E, Saffari H 2022 Heat Mass Trans. 58 1 Google Scholar
[18]	王亚明, 刘永利, 张林 2019 物理学报 68 166402 Google Scholar Wang Y M, Liu Y L, Zhang L 2019 Acta Phys. Sin. 68 166402 Google Scholar
[19]	徐珂, 许龙, 周光平 2021 物理学报 70 194301 Google Scholar Xu K, Xu L, Zhou G P 2021 Acta Phys. Sin. 70 194301 Google Scholar
[20]	李文, 马骁婧, 徐进良, 王艳, 雷俊鹏 2021 物理学报 70 126101 Google Scholar Li W, Ma X J, Xu J L, Wang Y, Lei J P 2021 Acta Phys. Sin. 70 126101 Google Scholar
[21]	齐凯, 朱星光, 王军, 夏国栋 2024 物理学报 73 156801 Google Scholar Qi K, Zhu X G, Wang J, Xia G D 2024 Acta Phys. Sin. 73 156801 Google Scholar
[22]	Huang D B, Quan X J, Cheng P 2018 Int. Commun. Heat Mass 98 232 Google Scholar
[23]	王浩杰, 曹自洋, 张洋精, 朱译文 2022 苏州科技大学学报(工程技术版) 35 68 Wang H J, Cao Z Y, Zhang Y J, Zhu Y W 2022 J. Suzhou Univ. Sci. Techn. (Eng. Techn. Ed.) 35 68
[24]	Wang Z, Wang S, Wang D Q, Yang Y R, Wang X D, Lee D J 2023 Int. J. Heat Mass 12 29
[25]	Shi Z Y, Zhong S H, Zhang B, Wen Z C, Chen L F 2024 Int. J. Heat Mass 228 11
[26]	Nurrohman N, Almisbahi H, Tocci E, et al. 2024 Nanomaterials 14 1137 Google Scholar
[27]	Wei L, Wang P, Chen X Y, Chen Z 2024 Surf. Interfaces 52 104981 Google Scholar
[28]	Jones J E 1924 Proc. Roy. Soc. A 106 463
[29]	杨世铭, 陶文铨 2006 传热学(第4版) (北京: 高等教育出版社) 第563页 Yang S M, Tao W Q 2006 Heat Transfer (4th Ed.) (Beijing: Higher Education Press) p563

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