FLOW RESISTANCE ANALYSIS OF WATER FLOW IN THE NANOCHANNELS BY USING NONEQUILIBRIUM MOLECULAR DYNAMICS SIMULATION

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BAKHSHAN YOUNES; SHADLOO JAHROMI ALIREZA

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Journal: Modares Mechanical Engineering Year:2016 | Volume:15 | Issue:10 Page(s): 320-328

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Title

FLOW RESISTANCE ANALYSIS OF WATER FLOW IN THE NANOCHANNELS BY USING NONEQUILIBRIUM MOLECULAR DYNAMICS SIMULATION

Author(s)

BAKHSHAN YOUNES | SHADLOO JAHROMI ALIREZA | Issue Writer Certificate

Keywords

MOLECULAR DYNAMICSQ1

NANO-CHANNELQ2

WATER MOLECULEQ2

FRICTIONQ2

NON-EQUILIBRIUMQ2

Abstract

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 model 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 was controlled by utilizing Nose-Hoover thermostat. The interaction strength (esi-w) between wall atoms and water's oxygen atoms were adjusted to indicate different surface wettability or wall–fluid interaction. The higher value of (esi-w) causes the higher hydrophilic wall interface. The simulation results showed that the interaction strength (esi-w) and temperature of system are important in determining the Nano rheology of the Nano channel and flow resistance of the confined water. The drag resistance at the solid–fluid interface will increase with increasing the hydrophilicity of walls (esi-w). Also, the heat dissipation of system will increase with increasing the drag resistance at the solid–fluid interface and as a result, the heat flux of system will decrease.

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APA: Copy

BAKHSHAN, YOUNES, & SHADLOO JAHROMI, ALIREZA. (2016). FLOW RESISTANCE ANALYSIS OF WATER FLOW IN THE NANOCHANNELS BY USING NONEQUILIBRIUM MOLECULAR DYNAMICS SIMULATION. MODARES MECHANICAL ENGINEERING, 15(10), 320-328. SID. https://sid.ir/paper/179626/en

Vancouver: Copy

BAKHSHAN YOUNES, SHADLOO JAHROMI ALIREZA. FLOW RESISTANCE ANALYSIS OF WATER FLOW IN THE NANOCHANNELS BY USING NONEQUILIBRIUM MOLECULAR DYNAMICS SIMULATION. MODARES MECHANICAL ENGINEERING[Internet]. 2016;15(10):320-328. Available from: https://sid.ir/paper/179626/en

IEEE: Copy

YOUNES BAKHSHAN, and ALIREZA SHADLOO JAHROMI, “FLOW RESISTANCE ANALYSIS OF WATER FLOW IN THE NANOCHANNELS BY USING NONEQUILIBRIUM MOLECULAR DYNAMICS SIMULATION,” MODARES MECHANICAL ENGINEERING, vol. 15, no. 10, pp. 320–328, 2016, [Online]. Available: https://sid.ir/paper/179626/en

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