Steady-state behavior of ring polymers in dilute flowing solutions via Brownian dynamics

• Published in: Polymer (Guilford) Vol. 46; no. 1; pp. 267 - 274
• Main Authors: Hernández Cifre, J.G., Pamies, R., López Martínez, M.C., García de la Torre, J.
• Format: Journal Article
• Language: English
• Published: Oxford Elsevier Ltd 06.01.2005; Elsevier
• Subjects: Applied sciences; Bead-and-spring; Brownian dynamics; Dilute solution; Exact sciences and technology; Organic polymers; Physicochemistry of polymers; Properties and characterization; Solution and gel properties; Brownian dynamics; Dilute solution; Bead-and-spring; Computer simulation; Cyclic polymer; Shear flow; Chain elongation; Theoretical study; Flow curve; Elongational flow
• ISSN: 0032-3861; 1873-2291
• DOI: 10.1016/j.polymer.2004.11.005

A bead and spring model is considered for the Brownian dynamics simulation of the behavior of cyclic polymer chains (rings) in a dilute solution under shear or elongational flow. Finite extensibility, excluded volume, and hydrodynamic interaction are taken into account to make the polymer model as realistic as possible. In shear flow, the deformation of the chain and the shear rate viscosity dependence (the flow curve), are studied and characterized. In elongational flow, the coil-stretch phenomenon is described and the relationship between the critical elongational rate and the molecular weight is given. The qualitative behavior obtained for ring polymers is analogous to that of linear polymers.