(337a) Brownian Dynamics Simulation of Recognition Kinetics Between Lock and Key Colloidal Particles

¹Department of Chemical Engineering, University of Michigan, Ann Arbor, Michigan 48109, the United States

In this work we adopt Brownian dynamics (BD) simulation to study the recognition kinetics of lock-and-key colloidal particles. Before addressing this, a general resistance matrix (12*12) describing the translation, rotation and translation-rotation coupling for any orientation connecting two sphere centers is established. Meanwhile, the general form of hydrodynamic interaction (HI) between two spheres, adopted from the literature (Jeffrey and Onishi, J. Fluid. Mech, 1984, 139, 261), has been verified to incorporate both the far-field and near-field HIs. Subsequently, by defining the cavity region on the lock particle, the statistical time from non-binding to non-specific binding, and non-specific to specific binding is to be predicted by tuning the depletant concentration. Furthermore, this simulation new approach is to be extended to investigate the binding kinetics between di-block Janus colloidal particles with one hydrophobic hemisphere and the other electrostatic. These simulated results may provide some insightful information into the self-assembly kinetics of colloidal particles.