The effect of geometrical parameters, roughness and the number of nanoparticles on the self-diffusion coefficient in Couette flow in a nanochannel by using of molecular dynamics simulation

The effect of geometrical parameters, roughness and the number of nanoparticles on self-diffusion in Couette flow in a nanochannel is investigated by using of molecular dynamics simulation. Gold nanoparticles (50, 100 and 200) were also distributed randomly between the nanochannel upper and lower walls. The effect of geometrical parameters of rectangular roughness in a nanochannel and the number of Gold nanoparticles on global self-diffusion and local self-diffusion as well as the average amounts were investigated in Couette flow. The results show that by increasing the roughness height, the particles are entrapped within the roughness and hence reduce the local self-diffusion coefficient in the vicinity of the upper wall. Also, by increasing the roughness height, the roughness length has less effect on the local diffusion coefficient.