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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.
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Keywords:
- molecular dynamics /
- vapor condensation /
- secondary microstructure /
- nanostructure
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图 1 二级微结构基础单元
Figure 1. Secondary microstructural base unit.
图 2 不同微柱几何表面俯视图和正视图 (a) 改变柱高度; (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 height of the column; (b) change of column spacing; (c) change the height of the column; (d) change the shape of the column.
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.
图 4 接触角随势阱深度变化图
Figure 4. Diagram of contact Angle variation with potential well depth.
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.
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.
图 7 凝结水的密度随时间的变化
Figure 7. Change of the density of condensate with time.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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 
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