Mathematical simulation of ultra-thin polymeric film spreading dynamics

The mathematical modeling of the dynamics for an ultra-thin perfluoropolyether film spreading on a surface is described, including both endgroup and surface effects. A system Hamiltonian, which includes nearest neighbour interactions, surface, endgroup/endgroup, and endgroup/surface interactions, combined with a kinetic Monte Carlo acceptance scheme controls the particle dynamics. Enhanced 3D visualization techniques address previous problems with particle evaporation and illustrate the validity of the model results. A fractal analysis is also applied to the spreading front of the multilayer film.