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Molecular dynamics computer simulation of water flows in nanochannels

Kucaba-Piętal A., Walenta Z.A., Peradzyński Z.

Bulletin of the Polish Academy of Sciences. Technical Sciences

2009

Vol. 57, nr 1

55-61

The work presents the results of the simulations of water flows through narrow channels (Poiseuille flows) performed using the molecular dynamics method, for two different channel widths (equal to 5 and 10 diameters of the water molecule) and for two different materials of the channel walls (copper and quartz). In the simulations, physical properties of the materials and their electrostatic interactions were considered. The obtained results are compared with the analytical solutions for a micropolar fluid flow taking account of the experimentally obtained rheological constants of water.

Size and wall effects in water flows in nanochannels

Kucaba-Pietal A., Walenta Z., Peradzynski Z.

Turbulence : international journal

2004

Vol. 10

77-81

The results of the simulations of plane Poiseuille flow of water through narrow channels are presented and compared with the analytical solutions for micropolar fluid. In the simulations performed by use the Molecular Dynamic method, physical properties of the materials and their electrostatic interactions were considered. Simulation of the flow was carried on for two different channel width and two different materials of the walls (copper and quartz).