Entangled polymer dynamics in equilibrium and flow modeled through slip links

Area of Science:

• Polymer Physics
• Materials Science
• Rheology

Background:

• Polymer dynamics are often explained by entanglements, typically modeled using the tube model.
• Slip-link models present an alternative framework with potential advantages over tube models.

Purpose of the Study:

• To review recent advancements in quantitative slip-link models for polymer dynamics.
• To highlight the connection between different levels of slip-link models through coarse-graining and nonequilibrium thermodynamics.
• To demonstrate the predictive power of slip-link models combined with atomistic simulations for polymer rheology.

Main Methods:

• Focus on mathematically well-defined slip-link models adhering to beyond-equilibrium thermodynamics.
• Utilize successive coarse-graining and nonequilibrium thermodynamics to connect model hierarchy.
• Integrate atomistic simulations to determine model parameters.

Main Results:

• A hierarchy of slip-link models is established with a minimal parameter set.
• Three out of four parameters in the most detailed model are derivable from atomistic simulations.
• The models accurately predict the nonlinear rheology of various polymer melts and blends.

Conclusions:

• Slip-link models provide a robust and predictive framework for polymer dynamics and rheology.
• This approach, integrating theory and simulation, offers a powerful tool for understanding complex polymer systems.
• Future challenges, including complex flow fields and polymer blends, can be addressed with this methodology.