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Flow Resistance Analysis of Water flow in the nanochannels by using Non- equilibrium Molecular Dynamics Simulation

Younes Bakhshan

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Alireza Shadloo Jahromi

Department of Mechanical Engineering, Hormozgan University, Bandar Abbas, iran P.O.B. 3995 Bandar Abbas, [email protected]

A RTICLE I NFORMATION A BSTRACT

Original Research Paper Received 18 July 2015 Accepted 01 September 2015 Available Online 22 September 2015

In this paper, non-equilibrium molecular dynamic simulation has been employed to study the effect of wall interfacial properties and temperature of system on the hydrodynamics and heat transfer of water molecules in nanochannel. The charges and Lennard-Jones potential are used to model the interactions between particles. The external forces are applied to the mass center of every water molecule in the direction to create its flow and the thermal and hydrodynamics behavior of the water molecules was then analyzed. To construct the wall pore model, two silicon solid surfaces were used and the temperature of system was controlled by utilizing Nose-Hoover thermostat. The interaction strength ) between wall atoms and water's oxygen atoms were adjusted to indicate different surface wettability or wall–fluid interaction. The higher value of ) causes the higher hydrophilic wall interface. The simulation results showed that the interaction strength ( ) and temperature of system are important in determining the nanorheology of the nanochannel and flow resistance of the confined water. The drag resistance at the solid–fluid interface will increase with increasing the hydrophilicity of walls ) Also, the heat dissipation of system will increase with increasing the drag resistance at the solid–fluid interface and as result, the heat flux of system will decrease.

Keywords:

Molecular Dynamics Nano-Channel Water Molecule Friction

Non-Equilibrium

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