Rheological properties of self-associating polymer systems: nonequilibrium molecular dynamics simulation

✍ Scribed by Pavel G. Khalatur; Dmitrii A. Mologin

• Publisher: Elsevier Science
• Year: 2001
• Tongue: English
• Weight: 855 KB
• Volume: 91
• Category: Article
• ISSN: 0167-7322
• DOI: 10.1016/s0167-7322(01)00164-7

✦ Synopsis

We present the results of nonequilibrium molecular dynamics (NEMD) studies of selfassociating polymer systems composed of flexible linear telechelic chains with strongly attracting end-groups. Formation of micellar aggregates, their structure and structural characteristics of associative polymer network (micellar gel) are studied under the influence of external shearing forces. Interconnection between structural and rheological properties of the steady-state system is discussed. We find that a critical factor in the shear behavior of selfassociating polymers is the space distribution (topology) of chain abridges,) connecting micellar aggregates. Dependii on the topology of the bridges, the system may exhibit shear thickening or shear thinning. Furthermore, the applied external force may cause transitions from continuous (space-fillii) associative network, which spans the whole space, to fibrous textures -threadlike objects which align along the shear field. These structural reorganizations lead to dramatic changes in the shear dependent steady-state viscosity.