Brownian Dynamics simulation of binding kinetics of colloids
Despite a century of extensive research, a thorough model for determining the binding kinetics of even dilute colloidal particles under 3D flow concentrations has been elusive.
This has been attributed to stiffness of governing convection-diffusion equation.
Conducting Brownian dynamics simulations, we developed a robust theoretical framework for determining recognition and binding kinetics of particles for arbitrary inter-particle potentials, surface anisotropy, flow strength and with full consideration of hydrodynamic interactions (HI).
We are currently extending our method to consider multibody effects. Here, a few results are provided, further details can be found in our published report.
Agreement between our results and those in literature for particle trajectories under shear flow in the absence of Brownian motion:
Binding kinetics considering HI, van der Waals attraction, and for whole Pe range:
M. Mohammadi, E.D. Larson, J. Liu and R.G. Larson, The Journal of Chemical Physics 142:024108 2015 "Brownian dynamics simulations of coagulation of dilute uniform and anisotropic particles under shear flow spanning low to high Peclet numbers."