Hostname: page-component-586b7cd67f-r5fsc Total loading time: 0 Render date: 2024-11-26T21:59:52.409Z Has data issue: false hasContentIssue false
  • English
  • Français

Effects of Nano-Nozzles Cross-Sectional Geometry on Fluid Flow: Molecular Dynamic Simulation

Published online by Cambridge University Press:  15 May 2017

H. Nowruzi  and
H. Ghassemi
H. Nowruzi
Affiliation:
Department of Maritime EngineeringAmirkabir University of Technology (Tehran Polytechnic)Tehran, Iran
H. Ghassemi*
Affiliation:
Department of Maritime EngineeringAmirkabir University of Technology (Tehran Polytechnic)Tehran, Iran
*
*Corresponding author ([email protected])
Get access

Abstract

Nano-nozzles are an essential part of the nano electromechanical systems (NEMS). Cross-sectional geometry of nano-nozzles has a significant role on the fluid flow inside them. So, main purpose of the present study is related to the effects of different symmetrical cross-sections on the fluid flow behavior inside of nano-nozzles. To this accomplishment, five different cross-sectional geometries (equilateral triangle, square, regular hexagon, elliptical and circular) are investigated by using molecular dynamics (MD) simulation. In addition, TIP4P is used for atomistic water model. In order to evaluate the fluid flow behavior, non-dimensional physical parameters such as Fanning friction factor, velocity profile and density number are analyzed. Obtained results are shown that the flow behavior characteristics appreciably depend on the geometry of nano-nozzle's cross-section. Velocity profile and density number for five different cross sections of nano-nozzle at three various measurement gauges are presented and discussed.

Keywords

Molecular dynamics simulationNano-nozzleCross section
Type
Research Article
Information
Journal of Mechanics , Volume 34 , Issue 5 , October 2018 , pp. 667 - 678
Copyright
Copyright © The Society of Theoretical and Applied Mechanics 2018 

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

1. Lee, B., et al., “A Carbon Nanotube Wall Membrane for Water Treatment,” Nature Communications, DOI:10.1038/ncomms8109 (2015).Google Scholar
2. Das, R., Ali, M. E., Hamid, S. B. A., Ramakrishna, S. and Chowdhury, Z. Z., “Carbon Nanotube Membranes for Water Purification: A Bright Future In Water Desalination,” Desalination, 336, pp. 97–109 (2014).Google Scholar
3. Saidur, R., Leong, K. Y. and Mohammad, H. A., “A Review on Applications and Challenges of Nanofluids,” Renewable & Sustainable Energy Reviews, 15, pp. 1646–1668 (2011).Google Scholar
4. Fischer, A. C. et al., “Integrating MEMS and ICs,” Microsystems & Nanoengineering, DOI:10.1038/micronano.2015.5 (2015).Google Scholar
5. Saadati, S. A. and Roohi, E., “Detailed Investigation of Flow and Thermal Field in Micro/Nano Nozzles Using Simplified Bernoulli Trial (SBT) Collision Scheme in DSMC,” Aerospace Science and Technology, 46, pp. 236–255 (2015).Google Scholar
6. Das, S., Dubsky, P., van den Berg, A. and Eijkel, J. C. T., “Concentration Polarization in Translocation of DNA through Nanopores and Nanochannels,” Physical Review Letters, 108, 138101 (2012).Google Scholar
7. Chen, L. and Conlisk, A. T., “Electroosmotic Flow and Particle Transport in Micro/Nano Nozzles and Diffusers,” Biomedical Microdevices, 10, pp. 289–298 (2008).Google Scholar
8. Wouters, D. and Schubert, U. S., “Nanolithography and Nanochemistry: Probe-Related Patterning Techniques and Chemical Modification for Nanometer-Sized Devices,” Angewandte Chemie International Edition, 43, pp. 2480–2495 (2004).Google Scholar
9. Masoomi, M. Y., Bagheri, M. and Morsali, A., “Application of two Cobalt-Based Metal – Organic Frameworks as Oxidative Desulfurization Catalysts,” Inorganic Chemistry, 54, pp. 11269–11275 (2015).Google Scholar
10. Nayak, A. K. and Dhara, A. K., “Nanotechnology in Drug Delivery Applications: A Review,” Archives of Applied Science Research, 2, pp. 284–293 (2010).Google Scholar
11. Sinha, P. M., Valco, G., Sharma, S., Liu, X. and Ferrari, M., “Nanoengineered Device for Drug Delivery Application,” Nanotechnology, 15, S585 (2004).Google Scholar
12. Im, S. G., Bong, K. W., Lee, C. H., Doyle, P. S. and Gleason, K. K., “A Conformal Nano-Adhesive via Initiated Chemical Vapor Deposition for Microfluidic Devices,” Lab on a Chip, 9, pp. 411–416 (2009).Google Scholar
13. Lee, K. P., Leese, H. and Mattia, D., “Water Flow Enhancement in Hydrophilic Nanochannels,” Nanoscale, 4, pp. 2621–2627 (2012).Google Scholar
14. Kou, J. et al., “Electromanipulating Water Flow in Nanochannels,” Angewandte Chemie International Edition in English, 54, pp. 2351–2355 (2015).Google Scholar
15. Bejan, A. and Lorente, S., Design with Constructal Theory, John Wiley & Sons, Hoboken, New Jersey, (2008).Google Scholar
16. Wee, M. F. M. R., Buyong, M. R. and Majlis, B. Y., “Effect of Microchannel Geometry in Fluid Flow for PDMS Based Device,” IEEE Regional Symposium on Micro and Nanoelectronics (RSM 2013), Daerah Langkawi, Malaysia (2013).Google Scholar
17. Bahrami, M., Yovanovich, M. M. and Culham, J. R., “Pressure Drop of Fully-Developed, Laminar Flow in Microchannels of Arbitrary Cross-Section,” 3rd International Conference on Microchannels and Minichannels, Toronto, Ontario, Canada (2005).Google Scholar
18. Jie, F. et al., “Molecular Dynamics Simulation of Injection of Polyethylene Fluid in A Variable Cross-Section Nano-Channel,” Chinese Science Bulletin, 56, pp. 1848–1856 (2011).Google Scholar
19. Hansen, J. S. and Ottesen, J. T., “Molecular Dynamics Simulations of Oscillatory Flows in Microfluidic Channels,” Microfluidics and Nanofluidics, 2, pp. 301–307 (2006).Google Scholar
20. Wang, C. S., Chen, J. S., Wang, Y. C., Lee, J. and Chyou, Y. P., “Molecular Dynamic Simulation of Escape of Hydrogen Atoms From (5, 5) Carbon Nanotubes,” Journal of Mechanics, 24, pp. 173–177 (2008).Google Scholar
21. Rapaport, D. C., The Art of Molecular Dynamics Simulation, Cambridge University Press, New York, (2004).Google Scholar
22. Shayan-Amin, S., Dalir, H. and Farshidianfar, A., “Molecular Dynamics Simulation of Double-Walled Carbon Nanotube Vibrations: Comparison with Continuum Elastic Theories,” Journal of Mechanics, 25, pp. 337–343 (2009).Google Scholar
23. Allen, M. and Tildesley, D., Computer Simulation of Liquids, Oxford University Press, New York (1987).Google Scholar
24. Thompson, P. A. and Troian, S. M., “A General Boundary Condition for Liquid Flow at Solid Surfaces,” Nature, 389, pp. 360–362 (1997).Google Scholar
25. Mahoney, M. W. and Jorgensen, W. L., “A Five-Site Model for Liquid Water and the Reproduction of the Density Anomaly by Rigid, Nonpolarizable Potential Functions,” The Journal of Chemical Physics, 112, pp. 8910–8922 (2000).Google Scholar
26. Kusalik, P. G. and Svishchev, I. M., “The Spatial Structure in Liquid Water,” Science, 265, pp. 1219–1221 (1994).Google Scholar
27. Berendsen, H. J. C., Grigera, J. R. and Straatsma, T. P., “The Missing Term in Effective Pair Potentials,” The Journal of Physical Chemistry, 91, pp. 6269–6271 (1987).Google Scholar
28. Hansen, J. P. and McDonald, I. R., Theory of Simple Liquids, 3rd Edition, Academic Press, London (2006).Google Scholar
29. Macpherson, G. B., Borg, M. K. and Reese, J. M., “Generation of Initial Molecular Dynamics Configurations in Arbitrary Geometries and in Parallel,” Molecular Simulation, 33, pp. 1199–1212 (2007).Google Scholar
30. Macpherson, G. B. and Reese, J. M., “Molecular Dynamics in Arbitrary Geometries: Parallel Evaluation of Pair Forces,” Molecular Simulation, 34, pp. 97–115 (2008).Google Scholar
31. Macpherson, G. B., Nordin, N. and Weller, H. G., “Particle Tracking in Unstructured, Arbitrary Polyhedral Meshes for Use in CFD and Molecular Dynamics,” Communications in Numerical Methods in Engineering, 25, pp. 263–273 (2009).Google Scholar
32. Borg, M. K., Macpherson, G. B. and Reese, J. M., “Controllers for Imposing Continuum-to Molecular Boundary Conditions in Arbitrary Fluid Flow Geometries,” Molecular Simulation, 36, pp. 745–757 (2010).Google Scholar
33. Waqar, A. K., Yovanovich, M. M., “Analytical Modeling of Fluid Flow and Heat Transfer In Micro/ Nano-Channel Heat Sinks,” Proceedings of IPACK2007, ASME Interpack ‘07, Vancouver, British Columbia, Canada, July 8–12 (2007).Google Scholar
34. Ziarani, A. S. and Mohamad, A. A., “A Molecular Dynamics Study of Perturbed Poiseuille Flow in A Nanochannel,” Microfluidics and Nanofluidics, 2, pp. 12–20 (2005).Google Scholar
35. Bird, R. B., “Transport Phenomena,” Applied Mechanics Reviews, DOI:10.1115/1.1424298 (2002).Google Scholar
36. Feng, J. et al., “Molecular Dynamics Simulation of Injection of Polyethylene Fluid in a Variable Cross-Section Nano-Channel,” Chinese Science Bulletin, 56, pp. 1848–1856 (2011).Google Scholar
37. Kamali, R., Radmehr, P. and Binesh, A., “Molecular Dynamics Simulation of Electro-Osmotic Flow in a Nanonozzle,” IET Micro & Nano Letters, 7, pp. 1049–1052 (2012).Google Scholar
38. Chan, D. Y. C. and Horn, R. G., “The Drainage of Thin Liquid Films between Solid Surfaces,” The Journal of Chemical Physics, 83, pp. 5311–5324 (1985).Google Scholar
39. Nowruzi, H. and Ghassemi, H., “Effects of Different Atomistic Water Models on the Velocity Profile and Density Number of Poiseuille Flow in a Nano-Channel: Molecular Dynamic Simulation,” Transport Phenomena in Nano and Micro Scales, 5, pp. 54–63 (2016).Google Scholar
40. Haywood, D. G., Saha-Shah, A., Baker, L. A. and Jacobson, S. C., “Fundamental Studies of Nanofluidics: Nanopores, Nanochannels, and Nanopipets,” Analytical Chemistry, 87, pp. 172–187 (2014).Google Scholar
41. Lee, C., Yang, E. H., Myung, N. V. and George, T., “A Nanochannel Fabrication Technique without Nanolithography,” Nano Letters, 3, pp. 1339–1340 (2003)Google Scholar
42. Esmaeilirad, A. et al., “The Effect of Nozzle-Exit-Channel Shape on Resultant Fiber Diameter in Melt-Electrospinning,” Materials Research Express, 4, 015302 (2017).Google Scholar
43. Ichiki, T., Sugiyama, Y., Taura, R., Koidesawa, T. and Horiike, Y., “Plasma Applications for Biochip Technology,” Thin Solid Films, 435, pp. 62–68 (2003).Google Scholar
44. Perry, J. L. and Kandlikar, S. G., “Review of Fabrication of Nanochannels for Single Phase Liquid Flow,” Microfluidics and Nanofluidics, 2, pp. 185–193 (2006).Google Scholar
45. Zhang, Y. et al., “Fabrication of Nanochannels,” Materials, 8, pp. 6277–6308 (2015).Google Scholar
46. Hulla, J. E., Sahu, S. C. and Hayes, A. W., “Nanotechnology: History and Future,” Human & Experimental Toxicology, 34, pp. 1318–1321 (2015).Google Scholar
47. Mellin, P. et al., “Nano-Sized by-Products from Metal 3D Printing, Composite Manufacturing and Fabric Production,” Journal of Cleaner Production, 139, pp. 1224–1233 (2016).Google Scholar