A molecular dynamics study of water between Lennard-Jones walls

An MD simulation of 216 ST2 water molecules between 12-6 Lennard-Jones walls has been performed which extend over 20 ps at an average temperature of 287 K. The oxygen atom density profile is reported the influence of the walls on the orientation of the water molecules on the self-diffusion coefficient have been investigated The results are compared with those from MC and MD simulations of similar systems.