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 …

Modeling of entangled polymer diffusion in melts and nanocomposites: A review

A Karatrantos, RJ Composto, KI Winey, M Kröger… - Polymers, 2019 - mdpi.com
This review concerns modeling studies of the fundamental problem of entangled
(reptational) homopolymer diffusion in melts and nanocomposite materials in comparison to …

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 …

A slip-spring framework to study relaxation dynamics of entangled wormlike micelles with kinetic Monte Carlo algorithm

S Pahari, B Bhadriraju, M Akbulut, JSI Kwon - Journal of Colloid and …, 2021 - Elsevier
Abstract Hypothesis Wormlike micelles (WLMs) formed due to the self-assembly of
amphiphiles in aqueous solution have similar viscoelastic properties as polymers. Owing to …

Equation of state based slip spring model for entangled polymer dynamics

GG Vogiatzis, G Megariotis, DN Theodorou - Macromolecules, 2017 - ACS Publications
A mesoscopic, mixed particle-and field-based Brownian dynamics methodology for the
simulation of entangled polymer melts has been developed. Polymeric beads consist of …

Effective value of the dynamic dilution exponent in bidisperse linear polymers: From 1 to 4/3

E Van Ruymbeke, Y Masubuchi, H Watanabe - Macromolecules, 2012 - ACS Publications
We revisit previously published dielectric and viscoelastic data of binary blends of linear cis-
polyisoprene [Watanabe, H.; Ishida, S.; Matsumiya, Y.; Inoue, T. Macromolecules 2004, 37 …

A full-chain constitutive model for bidisperse blends of linear polymers

DJ Read, K Jagannathan, SK Sukumaran… - Journal of Rheology, 2012 - pubs.aip.org
We develop a full-chain tube-based constitutive model [along the lines of Graham et al. J.
Rheol. 47, 1171 (2003)] for the nonlinear rheology of bidisperse blends of long and short …

Dynamic dilution exponent in monodisperse entangled polymer solutions

T Shahid, Q Huang, F Oosterlinck, C Clasen… - Soft Matter, 2017 - pubs.rsc.org
We study and model the linear viscoelastic properties of several entangled semi-dilute and
concentrated solutions of linear chains of different molar masses and at different …

Dynamic dilution effect in binary blends of linear polymers with well-separated molecular weights

E Van Ruymbeke, V Shchetnikava, Y Matsumiya… - …, 2014 - ACS Publications
We investigate and model the viscoelastic properties of binary blends composed of linear
chains. These systems are indeed very suitable to test the validity and the limit of the …

Self-consistent modeling of constraint release in a single-chain mean-field slip-link model

RN Khaliullin, JD Schieber - Macromolecules, 2009 - ACS Publications
A new implementation of constraint dynamics for the discrete slip-link model (DSM), which is
statistically consistent with sliding dynamics of the chain, is proposed. The DSM agrees with …