B115 A Molecular Dynamics Study on the Influences of Nanostructure Geometry on the Liquid Molecular Behavior at a Liquid-Solid interface

Abstract

［ ［ he nonequilibrium molecular dynamics simulations are conductedfor the liquid wetting phenomena on a solid surface with a nanometer scale slit pore using SPC ／ E potentiaL The results show thaUhe wetting phenomena of the slit pore depend Qn the liquid molecule − solid atoms interaction intensity and the width of the slit pore ， There was a critical value of the liquid − solid interaction intensity which deterrr 〕ines the wetting phenomena of the slit pore ， and the critical value was changeable depending on the slit pore width ． The calculation results didn ' t show pronounced differences qualitatively under the present simulation condition compared with the previous results obtained using Lennard − Jones( LJ) potential for liquid molecules ．