Self-assembly of Binary Particles with Electrostatic and van der Waals Interactions

Nanoparticles with competitive interactions in solution can aggregate into complex struc-tures. In this work, the synergistic self-assembles of binary particles with electrostatic and van der Waals interactions are studied with the particle Langevin dynamics simulation using a simple coarse-grained particle model. Various aggregations such as spherical, stacking-disk and tube structures are observed by varying the particles size and the interaction strength. The aggregation structures are explained with the packing theories of amphiphilic molecules in solution and dibolck copolymers in bulk. When the opposite ions are introduced intosolution, the distribution of structures in the phase diagram appears an obvious offset. The simulation result is helpful to deeply understand the formation mechanism of complex nanos-tructures of multicomponent particles in solution.