Modeling the release of nanoparticles from mobile microcapsules.

The authors present a novel computational approach to simulate both the release of nanoparticles from a microcapsule, which is moving through a microchannel, and the adsorption of the released particles onto the channel walls. By integrating the lattice spring model for the micromechanics of elastic solids and the lattice Boltzmann model for fluid dynamics, they simulate the relevant fluid-structure interactions in the system. In particular, they capture the dynamic interactions among the capsule's elastic shell, the encapsulated fluid, and the external, host solution. The nanoparticles are treated as "tracer particles" and their motion is modeled via a Brownian dynamics simulation. An imposed pressure gradient drives the capsule to move along an adhesive substrate and the particles are released from the surface of this mobile capsule. The authors determine how the elasticity of the capsule, the strength of the capsule-surface adhesion and the diffusion coefficient of the nanoparticles affect the relative amount of particles that are adsorbed onto the substrate. In addition to showing that the compliant nature of the capsule can significantly affect the nanoparticle deposition, they isolate a range of parameters for maximizing the adsorbed amount. The findings yield guidelines for optimizing the efficiency of microcapsule carriers in the targeted delivery of nanoparticles.