Journal of Chemical Physics, Vol.111, No.3, 1273-1280, 1999
Molecular dynamics simulation of the rheological and dynamical properties of a model alkane fluid under confinement
We study the effect of wall-fluid interactions on the state conditions and the effective properties of a model dodecane fluid confined between parallel solid walls. A significant increase in the effective density of the confined fluid is observed with increasing strength of the wall-fluid interaction. The effect of the wall-fluid interaction on the rotational relaxation and diffusional relaxation of the fluid is seen in the significant slowing down of the relaxation with increasing wall-fluid interaction strength. The difference between the confined fluid and the three-dimensional bulk fluid is demonstrated by the strong anisotropy of the dynamical properties, the molecular rotation, and self-diffusion. The viscosity of the confined fluid shows a large difference between weak and strong wall-fluid interactions, and a significant difference from bulk fluid at low shear rate.