Nano-particle distribution in a polymer nano-composite

We use the hybrid particle-Self Consistent Field calculation (hybrid particle-SCF) to study the distribution of particles in a multi-block copolymer nano-composite. Using the static approach, we first find the effective interaction potential between the nano-particles and the polymer. The interaction has an entropic and an enthalpic component. The dynamical simulation confirms that the distribution of particles has a maximum at the minima of the interaction potential. We also study the situation where the nano-particles are distributed in a blend of AB diblock and A homopolymer. In this case, for large homopolymer concentration (larger than 20\%), an interface is created between components that are identical, but they come from different types of polymer chains (i.e. the AB diblock or the A homopolymer). We find that the interaction potential has a minimum in this A/A interface which is of pure entropic origin. Furthermore the dynamical simulation reveals that the distribution of nano-particles has a maximum in the area around this interface.