Lattice-Boltzmann simulations of flexible and semi-flexible polymers in solution
COFFEE_KLATCH · Invited
Abstract
I will describe ongoing research into the development of numerical methods to simulate the dynamics of polymer solutions. Our work is based on a fluctuating lattice Boltzmann model (FLBM), which can account for both the dissipative and correlated random forces between chain segments. I will outline a new approach to the FLBM, which emphasizes its statistical mechanical foundation. Polymer solutions can be most conveniently modeled as connected point particles, and I will present results for different methods to capture the polymer-fluid coupling. Finally, I will outline how the algorithm may be extended to semi-flexible polymers.
*This work was carried out during a sabbatical at the Max Planck Institute for Polymer Research in Mainz. I acknowledge financial support from the Alexander von Humboldt Foundation during my stay in Germany.
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