Modeling a tethered polymer in Poiseuille flow.

Journal article

We investigate the behavior of a tethered polymer in Poiseuille flow using a multiscale algorithm. The polymer, treated using molecular dynamics, is coupled to a solvent modeled by the stochastic rotation algorithm, a particle-based Navier-Stokes integrator. The expected series of morphological transitions of the polymer: sphere to distorted sphere to trumpet to stem and flower to rod are recovered, and we discuss how the polymer extension depends on the flow velocity. Backflow effects cause an effective increase in viscosity, which appears to be primarily due to the fluctuations of the free end of the polymer.

Authors: Webster, M; Yeomans, J

• Publication status: Published
• Journal: Journal of chemical physics
• Volume: 122
• Issue: 16
• Pages: 164903
• Publication date: 2005-04-01
• DOI: 10.1063/1.1884105
• EISSN: 1089-7690
• ISSN: 0021-9606
• Language: English
• Keywords: Viscosity; Polymers; Thermodynamics; Microfluidics; Algorithms; Cholesterol; Molecular Conformation