Enhancement in Heat Transfer Performance of Water Vapor Condensation on Graphene-Coated Copper Surfaces: A Molecular Dynamics Study
Abstract
:1. Introduction
2. Methodology
3. Results
3.1. Rate of Condensation
3.2. Mobility of Condensed Water Molecules on Hydrophilic and Hydrophobic Surfaces
- Tracking the water molecules to determine which water molecules were condensed and never returned to the vapor phase during the last 1 ns of the simulation time. This was performed by plotting the z-positions of the oxygen molecules over time.
- Calculating the total x–y distance of those particles in point a) over the last 1 ns of the simulation time.
- Averaging the calculated total x–y distance of all the water molecules during the last 1 ns of the simulation time.
3.3. Heat Transfer Rate
3.4. Temperature Variation
3.5. Vibrational Density of States
4. Conclusions
- As the graphene coverage decreased, the water condensation and heat transfer rate increased. By using graphene coverages of 84%, 68%, and 52%, the numbers of condensed water molecules on the surface were 664, 735, and 880, respectively, while the heat transfer rates tended to have an increasing trend, which were −138.06, −136.65, and −195.85 eV/ns, respectively.
- As the graphene coverage was more distributed, the water condensation and heat transfer rate increased. By using the same graphene coverage of 68% with one, two, and three exposed copper regions in the middle, the numbers of condensed water molecules on the surface were 735, 868, and 898, respectively, while the heat transfer rates had an increasing trend, with values of −136.65, −183.06, and −189.64 eV/ns, respectively.
- As the graphene coverage decreased or became more distributed, the temperature of the water molecules dropped faster.
- The results also showed that the water mobility on the hydrophobic surface contributed to faster droplet growth on the hydrophilic region.
- The VDOS analysis showed that the overall condensation performance was strongly related to the heat transfer between the graphene coating and the copper surface. By using graphene coverages of 84%, 68%, and 52%, the overlap factors were 0.559, 0.564, and 0.567, respectively. By using a more distributed graphene coating with one, two, and three exposed copper regions in the middle, the overlap factors were 0.564, 0.594, and 0.620, respectively. These values show that distribution played a more important role than coverage.
Author Contributions
Funding
Data Availability Statement
Acknowledgments
Conflicts of Interest
References
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Interaction | (eV) | (Å) |
---|---|---|
Cu-C | 0.0262511 | 2.313 |
Cu-H | 0.0 | 0.0 |
Cu-O | 0.0525021 | 2.753 |
C-H | 0.0 | 0.0 |
C-O | 0.0054695159 | 3.279 |
Variant | Rate of Condensation (#Molecules/ns) | Standard Deviation | Coeff. of Variation | |||
---|---|---|---|---|---|---|
Seed 1 | Seed 2 | Seed 3 | Average | |||
V3 | 716 | 586 | 689 | 664 | 56 | 0.084 |
V4-6 | 694 | 675 | 836 | 735 | 72 | 0.097 |
V4-33 | 988 | 784 | 832 | 868 | 87 | 0.100 |
V4-222 | 889 | 898 | 906 | 898 | 7 | 0.007 |
V5 | 897 | 985 | 757 | 880 | 94 | 0.106 |
Variant | Heat Transfer Rate (eV/ns) | Standard Deviation | Coeff. of Variation | |||
---|---|---|---|---|---|---|
Seed 1 | Seed 2 | Seed 3 | Average | |||
V3 | −147.77 | −123.2 | −143.21 | −138.06 | 10.67 | −0.077 |
V4-6 | −127.1 | −137.37 | −145.49 | −136.65 | 7.52 | −0.055 |
V4-33 | −211.75 | −176.65 | −160.8 | −183.06 | 21.28 | −0.116 |
V4-222 | −195.76 | −193.16 | −180.02 | −189.64 | 6.88 | −0.036 |
V5 | −200.39 | −201.49 | −185.69 | −195.85 | 7.20 | −0.036 |
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Nurrohman, N.; Almisbahi, H.; Tocci, E.; Abulkhair, H.; Albeirutty, M.; Othman, R.; Bamaga, O. Enhancement in Heat Transfer Performance of Water Vapor Condensation on Graphene-Coated Copper Surfaces: A Molecular Dynamics Study. Nanomaterials 2024, 14, 1137. https://doi.org/10.3390/nano14131137
Nurrohman N, Almisbahi H, Tocci E, Abulkhair H, Albeirutty M, Othman R, Bamaga O. Enhancement in Heat Transfer Performance of Water Vapor Condensation on Graphene-Coated Copper Surfaces: A Molecular Dynamics Study. Nanomaterials. 2024; 14(13):1137. https://doi.org/10.3390/nano14131137
Chicago/Turabian StyleNurrohman, Nurrohman, Hind Almisbahi, Elena Tocci, Hani Abulkhair, Mohammed Albeirutty, Ramzi Othman, and Omar Bamaga. 2024. "Enhancement in Heat Transfer Performance of Water Vapor Condensation on Graphene-Coated Copper Surfaces: A Molecular Dynamics Study" Nanomaterials 14, no. 13: 1137. https://doi.org/10.3390/nano14131137