Challenges in multiscale modeling of polymer dynamics

Y Li, BC Abberton, M Kröger, WK Liu - Polymers, 2013 - mdpi.com
The mechanical and physical properties of polymeric materials originate from the interplay of
phenomena at different spatial and temporal scales. As such, it is necessary to adopt …

Non-universal features in uniaxially extensional rheology of linear polymer melts and concentrated solutions: A review

Y Matsumiya, H Watanabe - Progress in Polymer Science, 2021 - Elsevier
Rheological behavior of polymeric liquids has been considered to be universally determined
by a few time-independent molecular parameters (such as the Rouse relaxation time and …

Kremer–Grest models for commodity polymer melts: Linking theory, experiment, and simulation at the Kuhn scale

R Everaers, HA Karimi-Varzaneh, F Fleck… - …, 2020 - ACS Publications
The Kremer–Grest (KG) polymer model is a standard model for studying generic polymer
properties in molecular dynamics simulations. It owes its popularity to its simplicity and …

Shear and extensional rheology of polystyrene melts and solutions with the same number of entanglements

S Costanzo, Q Huang, G Ianniruberto… - …, 2016 - ACS Publications
We investigate the nonlinear shear and uniaxial extensional rheology of entangled
polystyrene (PS) melts and solutions having the same number Z of entanglements, hence …

When polymer chains are highly aligned: a perspective on extensional rheology

Q Huang - Macromolecules, 2022 - ACS Publications
We provide a Perspective on recent findings in extensional rheology for polymer melts and
solutions with different macromolecular architectures. For linear polymer systems, we focus …

Concentrated polymer solutions are different from melts: Role of entanglement molecular weight

Q Huang, O Mednova, HK Rasmussen… - …, 2013 - ACS Publications
We compare viscoelastic properties of several polystyrene solutions and melts with the
same number of entanglements. It is demonstrated that the modulus and time can be shifted …

Unexpected stretching of entangled ring macromolecules

Q Huang, J Ahn, D Parisi, T Chang, O Hassager… - Physical review …, 2019 - APS
In the melt state at equilibrium, entangled nonconcatenated ring macromolecules adapt
more compact conformations compared to their linear analogs and do not form an …

Modeling the rheology of polymer melts and solutions

RG Larson, PS Desai - Annual Review of Fluid Mechanics, 2015 - annualreviews.org
We review constitutive modeling of solutions and melts of linear polymers, focusing on
changes in rheological behavior in shear and extensional flow as the concentration …

Multi-chain slip-spring model for entangled polymer dynamics

T Uneyama, Y Masubuchi - The Journal of chemical physics, 2012 - pubs.aip.org
It has been established that entangled polymer dynamics can be reasonably described by
single chain models such as tube and slip-link models. Although the entanglement effect is a …

The rheology of aqueous solutions of ethyl hydroxy-ethyl cellulose (EHEC) and its hydrophobically modified analogue (hmEHEC): extensional flow response in …

V Sharma, SJ Haward, J Serdy, B Keshavarz… - Soft matter, 2015 - pubs.rsc.org
Cellulose derivatives containing associating hydrophobic groups along their hydrophilic
backbone are used as rheology modifiers in the formulation of water-based spray paints …