Dissipative Dynamics of a Single Polymer in Solution: A Lowe-Andersen Approach

S Majumder and H Christiansen and W Janke, INTERNATIONAL CONFERENCE ON COMPUTER SIMULATION IN PHYSICS AND BEYOND, 1163, 012072 (2019).

DOI: 10.1088/1742-6596/1163/1/012072

We study the equilibrium dynamics of a single polymer chain under good solvent condition. Special emphasis is laid on varying the drag force experienced by the chain while it moves. To this end we model the solvent in a mesoscopic manner by employing the LoweAndersen approach of dissipative particle dynamics which is known to reproduce hydrodynamic e ff ects. Our approach captures the correct static behavior in equilibrium. Regarding the dynamics, we investigate the scaling of the self-di ff usion coe ffi cient D with respect to the length of the polymer N, yielding results that are compatible with the Zimm scaling D similar to N-3/5.

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