How wall properties control diffusion in grooved nanochannels: a molecular dynamics study |
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Authors: | Filippos Sofos Theodoros E Karakasidis Antonios Liakopoulos |
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Institution: | 1. Hydromechanics and Environmental Engineering Laboratory, School of Engineering, University of Thessaly, 38834, Pedion Areos, Vólos, Greece
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Abstract: | The effect of a geometrically-rough wall, amplified by its degree of wettability and stiffness on diffusion coefficient in cases of fluid flow in nanochannels is studied by non-equilibrium molecular dynamics. Diffusion coefficient values, either inside the grooves or as average channel values are affected by the rough wall characteristics. A significant anisotropy along the directions parallel and normal to the flow is observed inside the grooves, while a critical value of groove length below which this anisotropy is enhanced exists. Wall wettability is the property that affects diffusion the most and could be a means of controlling its behavior. |
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