Effect of the Interplay between Polymer-Filler and Filler-Filler Interactions on the Conductivity of a Filled Diblock...

We investigate the relative roles of the involved interactions and micro-phase morphology in the formation of the conductive filler network in an insulating diblock copolymer (DBC) system. By incorporating the filler immersion energy obtained by means of the phase-field model of the DBC into the Monte Carlo simulation of the filler system, we determined the equilibrium distribution of fillers in the DBC that assumes the lamellar or cylindrical (hexagonal) morphology. Furthermore, we used the resistor network model to calculate the conductivity of the simulated filler system. The obtained results essentially depend on the complicated interplay of the following three factors: (i) Geometry of the DBC micro-phase, in which fillers are preferentially localized; (ii) difference between the affinities of fillers for dissimilar copolymer blocks; (iii) interaction between fillers. The localization of fillers in the cylindrical DBC micro-phase has been found to most effectively promote the conductivity of the composite. The effect of the repulsive and attractive interactions between fillers on the conductivity of the filled DBC has been studied in detail. It is quantitatively demonstrated that this effect has different significance in the cases when the fillers are preferentially localized in the majority and minority micro-phases of the cylindrical DBC morphology.