Rheological properties of polymer chains at a copper oxide surface: Impact of the chain length, surface coverage, and grafted polymer shape

Phys Rev E. 2021 Aug;104(2-1):024501. doi: 10.1103/PhysRevE.104.024501.

Abstract

We employ a recently derived semirealistic set of coarse-grained interactions to simulate polymer brushes of cis-1,4-polybutadiene grafted on a cuprous-oxide surface within the framework of dissipative particle dynamics. We consider two types of brushes, I and Y, that differ in the way they are connected to the surface. Our model explores the impact of free polymer chain length, grafting density of the brush, and imposed shear rate on the structural and dynamic properties of complex metal oxide polymer interfaces.