Simulation of Fluid Flow in Nanotubes by Non-Equilibrium Molecular Dynamics

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Khodadadi, Ali | 2017

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Type of Document: M.Sc. Thesis
Language: Farsi
Document No: 50623 (08)
University: Sharif University of Technology
Department: Mechanical Engineering
Advisor(s): Moosavi, Ali; Kazemzadeh Hannani, Siamak
Abstract:
One of the critical challenges in droplet based micro- and nanofluidic devices is handling the droplet breakup such that a controllable droplet size is produced. The experimental and numerical investigations at the microscale indicate that the droplet size can be well controlled by T junction geometries. In the present study we use non-equilibrium molecular dynamics (NEMD) simulations to investigate this phenomenon at the nanoscale. In order to generalize the study the Lennard-Jones type potential between the fluids and the walls have been considered and the strength and the effective range of the potential are changed to consider a wide variety of materials. Our results reveal that the breakup of the droplets at the nanoscales, similar to the microscale, depends on the capillary number and for capillary numbers larger than a critical value the break up may occur. In addition, the initial length of the droplets affects the breakup process and the tunneling time
Keywords:
Multiphase Flow ; Nanofluid ; Non-Equilibrium Molecular Dynamics ; Nanodroplets ; T-Shape Connection ; Flow Simulation ; Nanodroplet Breakup

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