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

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 a nanochannel. The charges and Lennard-Jones potential are used to modeling the interactions between particles. The external forces are applied to the mass center of every water molecule in the x 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 has been controlled by utilizing Nose-Hoover thermostat. The interaction strength 〖(ε〗_(Si-W)) between wall atoms and water's oxegen atoms were adjusted to indicate different surface wettability or wall–fluid interaction. The higher value of 〖(ε〗_(Si-W)), causes the higher hydrophilic wall interface. The simulation results showed that the interaction strength, (ε_(Si-W)) and temperature of system is 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 〖(ε〗_(Si-W)). Also the heat dissipation of system will increase, with increasing the drag resistance at the solid–fluid interface, and it results, the heat flux of system will decrease.