Abstract Spreading of nanofluids on solid substrate was studied via molecular dynamics simulations. Simulation models for two immiscible fluids （oil and water based nanofiuids） confined in a slit between two planar solid walls were set up. The influence of the volume concentration of the nanoparticles on the three-phase contact line motion was investigated. We found that the larger volume concentration results in more visible nanoparticle adsorption on solid surface. This effect further induces an advancing displacement of the contact line compared with the meniscus profiles in low concentration case and that with the absence of nanoparticles. These findings are consistent with the previous experimental and theoretical results and provide the atomic-scale understanding on nanofluid spreading.
A theoretical model extended from the Frenkel-Eyring molecular kinetic theory(MKT)was applied to describe the boundary slip on textured surfaces.The concept of the equivalent depth of potential well was adopted to characterize the solid-liquid interactions on the textured surfaces.The slip behaviors on both chemically and topographically textured surfaces were investigated using molecular dynamics(MD)simulations.The extended MKT slip model is validated by our MD simulations under various situations,by constructing different complex surfaces and varying the surface wettability as well as the shear stress exerted on the liquid.This slip model can provide more comprehensive understanding of the liquid flow on atomic scale by considering the influence of the solid-liquid interactions and the applied shear stress on the nano-flow.Moreover,the slip velocity shear-rate dependence can be predicted using this slip model,since the nonlinear increase of the slip velocity under high shear stress can be approximated by a hyperbolic sine function.
