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Insight of inconsistency in the boundary definition for simple liquid flow through carbon nanotube
Kazi Ehsanul Karim,BoHung Kim 대한기계학회 2021 대한기계학회 춘추학술대회 Vol.2021 No.6
Carbon nanotubes (CNTs) have captivated the scientific society since their discovery with sp2-hybridization. Different characteristics, for instance, lower density; variations in viscosity with higher velocity and slip length of fluid in the CNTs are at the center of attraction. On the other hand, we intend to focus on the origin of long-existing inconsistency in the definition of boundary position at nanoscale fluid flow. Thus, we perform NEMD simulation to analyze the boundary position and other characteristics of simple liquid flow in a single walled carbon nanotube (SWCNT). We have found that density, wettability, viscosity, pressure and temperature have significant effect on defining flow boundary in the SWCNT. Nevertheless, the discrepancies in flow boundary definition for nanoscale flow have been addressed from the perspective of conservation of energy. We find that the fluid density in the SWCNT is dependent on the selection of bin size and position because of coexistence of solid, liquid and vapor phase together in the SWCNT. Therefore, the probability of number density in carbon nanotube (CNT) is a suitable way to show number density. Afterwards, we have altered the interaction parameter to show the convergence of NEMD result with the No-slip Hagen-Poiseuille assumptions. In this regard, we increase the LB-mixing interaction potential which deduces the no-slip convergence in this work. Finally, it has been understood that the boundary positions for applying boundary conditions vary in between solid wall and peak density point of the CNT with respect to input energy in the system.