Monte Carlo simulation of confined semiflexible polymer melts

摘要: The behavior of semiflexible polymer melts confined between surfaces is investigated via Monte Carlo simulation. A depletion chain sites near the wall at low densities and an enhancement high observed, which can be explained in terms a competition packing configurational entropic effects. An increase molecular stiffness results improved segments against walls, but increases loss entropy suffered by single molecule wall. Changing changes average bond angle hence alters way molecules pack surface. density profiles are result these competing One consequence that for some values stiffness, solvation force (estimated from superposition approximation) ceases to oscillatory function separation even liquidlike densities. conformational properties ...