A Dissipative Particle Dynamics Study of Flow Behaviors in Ultra High Molecular Weight Polyethylene/Polyamide 6 Blends Based on Souza-Martins Method

Abstract

This paper presents our study on the use of dissipative particle dynamics (DPD) simulations to discover the flow behavior in ultra high molecular weight polyethylene/polyamide 6 (UHMWPE/PA6) blends associated with extensional-shear coupled flow, based on the Souza-Martins method, for the first time. By way of simulations, we aimed at investigating the mesoscopic morphology and alignment behavior in response to extensional-shear coupled flow, in comparison with simple shear flow and simple extensional flow. Our results reveal that the aggregation of polymers is noticeable under zero flow, as expected. Within the considered range of extensional-shear coupled rates, the morphology transforms from micelle-like clusters to a chain-like network structure by increasing coupled rates from 0.01 to 2.0. Furthermore, it shows a linear distribution along the flow direction at a high coupled rate. It can be concluded that the flow behaviors in UHMWPE/PA6 blends are significantly impacted by extensional-shear coupled rates. The orientation behavior induced by extensional-shear coupled flow is more obvious than shear flow, even though flow variations and mass fractions yield less effects on the distribution behaviors of UHMWPE/PA6 blends. The DPD results are verified by mean square displacement (MSD) as a function of simulation time and relative concentration distribution along Z direction.