Hydrophobic Attraction Domain Functional for Amphiphilic Self-assembly and Bilayers
The talk presents a model for the interaction of discrete amphiphilic particles with a continuum solvent. The particle interactions derive from the first variation of a hydrophobic attraction domain functional and yield a gradient flow for particle self-assembly that includes realistic end-states like micelles and bilayers. We have included Stokesian hydrodynamic interactions in our two-dimensional boundary integral formulation to account for transport in a viscous solvent. There is agreement between physical predictions of the present model and those of the classic Helfrich hamiltonian from continuum membrane mechanics. The approach by discrete amphiphilic particles has the advantage over Helfrich energies in resolving the granular details of membrane, e.g. during merger and pinch off, while having lower computational complexity than molecular dynamics approaches that resolve solvent molecules.