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DPD Simulation of Conformation and Behaviour of End-Grafted Diblock Copolymer under Compression and Shear

M. Sirchabesan and S. Giasson
Université de Montréa, CA

Keywords:
DPD, diblock copolymers, friction, interpenetration thickness

Abstract:
Dissipative Particle Dynamics was used to investigate the friction behavior and conformation of diblock charged copolymers (PtBMA-b-PSGMA) end-grafted at hydrophobic surfaces in aqueous media for different copolymer molecular weights, degrees of ionization, grafting densities, surface separations between two opposing surfaces and as one of the surfaces was made to slide past the other one at different separation distances. The simulation data agree very well with previous experimental results as well as with observations for other theoretical approaches. Highly charged chains have shown to not interpenetrate upon compression between two opposing surfaces for small contact areas, whereas for large contact areas, some opposing chains exhibit a slight degree of interpenetration. The interpenetration thickness has shown to be dependant on the degree of ionization of the chains and friction coefficient between two opposing polymer-coated surfaces has shown to be directly correlated with the extent of interpenetration layer thickness.

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