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 …

A novel star-shaped copolymer as a rheology modifier in water-based drilling fluids

Z Luo, L Wang, J Pei, P Yu, B Xia - Journal of Petroleum Science and …, 2018 - Elsevier
Compared to linear polymers, star polymers have drawn significant research interest due to
their excellent physical and rheological properties. In this paper, a star-shaped copolymer of …

Bottom-up Multiscale Simulation of Nonlinear Rheology for Entangled Polymer Melts: Using Atactic Polystyrene as An Example

H Liang, K Yoshimoto, SJ Rowan, JJ de Pablo - Macromolecules, 2024 - ACS Publications
A multiscale modeling framework is adapted for the in silico prediction of nonlinear shear
rheology of entangled polymer melts. This approach begins with an all-atom model and …

Topological methods for polymeric materials: characterizing the relationship between polymer entanglement and viscoelasticity

E Panagiotou, KC Millett, PJ Atzberger - Polymers, 2019 - mdpi.com
We develop topological methods for characterizing the relationship between polymer chain
entanglement and bulk viscoelastic responses. We introduce generalized Linking Number …

Testing the Ability of the Slip-Spring Model to Describe Constraint Release Effects Using Experimental Linear and Nonlinear Rheology

T Sato, Y Gong, RG Larson - Macromolecules, 2023 - ACS Publications
We tested the ability of the discrete slip-spring (DSS) model, which is a variation of the
original model of [Likhtman, AE Macromolecules 2005, 38, 6128. 10.1021/ma050399h], to …

Binary blends of entangled star and linear poly (hydroxybutyrate): Effect of constraint release and dynamic tube dilation

T Ebrahimi, H Taghipour, D Grießl… - …, 2017 - ACS Publications
In order to further understand the relaxation behavior of binary blends of star and linear
chains, new polymer blends consisting of linear poly (hydroxybutyrate)(PHB) matrix and …

Tube dilation in isofrictional polymer blends based on polyisoprene with different topologies: Combination of dielectric and rheological spectroscopy, pulsed-field …

P Malo de Molina, A Alegría, J Allgaier… - …, 2020 - ACS Publications
We address the dynamics of isofrictional bimodal polyisoprene (PI) blends and emphasize
the effect of concentration and topology of the short component on the dynamics of the long …

Comparative analysis of different tube models for linear rheology of monodisperse linear entangled polymers

V Shchetnikava, J Slot, E van Ruymbeke - Polymers, 2019 - mdpi.com
The aim of the present paper is to analyse the differences between tube-based models
which are widely used for predicting the linear viscoelasticity of monodisperse linear …

Influence of branching on the configurational and dynamical properties of entangled polymer melts

A Chremos, JF Douglas - Polymers, 2019 - mdpi.com
We probe the influence of branching on the configurational, packing, and density correlation
function properties of polymer melts of linear and star polymers, with emphasis on molecular …

Slip-Spring Hybrid Particle-Field Molecular Dynamics for Coarse-Graining Branched Polymer Melts: Polystyrene Melts as an Example

Z Wu, F Müller-Plathe - Journal of Chemical Theory and …, 2022 - ACS Publications
The topology of chains significantly modifies the dynamical properties of polymer melts.
Here, we extend a recently developed efficient simulation method, namely the slip-spring …