Kinetics of Formation and Fusion of Block Copolymer Particles in Solvent

We perform large-scale computer simulations of the kinetics of block copolymer particle formation in solvent. Our simulation method allows for long simulation times, enabling the observation of intricate pathways of particle fusion. The results show good agreement with our earlier study that used a more detailed but slower simulation method. In the present work, we access system sizes and timescales not achieved previously and identify several novel kinetic pathways. Both the block copolymer architecture and the presence of a curved interface with the solvent influence the internal structure of the particles and their formation kinetics. We investigate a variety of morphologies, including lamellae (perpendicular and parallel to the interface), cylinders, perforated lamellae, spheres, and bicontinuous structures. We also observe the influence of incorporated nanoparticles on the internal organization of the block copolymer particles.