To complement the research into phase-space kinetic theory of polymer solutions I turned again to computer simulations, specifically to Brownian dynamics of DNA electrophoresis under pressure-driven flow in micro-channels. In contrast to the majority of similar studies reported in the literature, I included electrically-induced hydrodynamic interactions, yielding uniformly valid solutions for small Debye lengths.
I classified different types of hydrodynamic interactions and analyzed the corresponding cross-stream mi-gration patterns. In addition, I showed distinctive dependence of the Peclet number on the electrophoretic
mobility and radius-of-gyration tensor. During the research I developed an extensive software package for mesoscale simulation of polyelectrolyte dynamics, termed Tracker, with the support for parallelism (MPI), multiple solvers (PETSc), molecular dynamics interface (DLPOLY) and visualization interface (Matlab, VMD).
- Phase-Space Kinetic Theory of Polymer Solutions
- Fundamental Solutions of Stokes Equation in Bounded Domains