Orientational ordering transitions of semiflexible polymers in thin films: A Monte Carlo simulation

2011

Athermal solutions (from dilute to concentrated) of semiflexible macromolecules confined in a film of thickness D between two hard walls are studied by means of grand-canonical lattice Monte Carlo simulation using the bond fluctuation model. This system exhibits two phase transitions as a function of the thickness of the film and polymer volume fraction. One of them is the bulk isotropic-nematic first-order transition, which ends in a critical point on decreasing the film thickness. The chemical potential at this transition decreases with decreasing film thickness ("capillary nematization"). The other transition is a continuous (or very weakly first-order) transition in the layers adjacent …