scholarly journals Modeling of Entangled Polymer Diffusion in Melts and Nanocomposites: A Review

Polymers ◽  
2019 ◽  
Vol 11 (5) ◽  
pp. 876 ◽  
Author(s):  
Argyrios Karatrantos ◽  
Russell J. Composto ◽  
Karen I. Winey ◽  
Martin Kröger ◽  
Nigel Clarke
Keyword(s):  
Polymer Melts ◽  
Fundamental Problem ◽  
Tube Model ◽  
Polymer Diffusion ◽  
Entangled Polymers ◽  
Molecular Weight Dependence ◽  
Nanoparticle Interactions ◽  
Model Predictions ◽  
Reptation Model ◽  
Entangled Polymer

This review concerns modeling studies of the fundamental problem of entangled (reptational) homopolymer diffusion in melts and nanocomposite materials in comparison to experiments. In polymer melts, the developed united atom and multibead spring models predict an exponent of the molecular weight dependence to the polymer diffusion very similar to experiments and the tube reptation model. There are rather unexplored parameters that can influence polymer diffusion such as polymer semiflexibility or polydispersity, leading to a different exponent. Models with soft potentials or slip-springs can estimate accurately the tube model predictions in polymer melts enabling us to reach larger length scales and simulate well entangled polymers. However, in polymer nanocomposites, reptational polymer diffusion is more complicated due to nanoparticle fillers size, loading, geometry and polymer-nanoparticle interactions.

Entangled polymer complexes as Higgs phenomena

Soft Matter ◽  
2015 ◽  
Vol 11 (40) ◽  
pp. 7932-7941 ◽  
Author(s):  
Ki-Seok Kim ◽  
Sandipan Dutta ◽  
YongSeok Jho
Keyword(s):  
Transverse Motion ◽  
Tube Model ◽  
Polymer Complexes ◽  
Linking Number ◽  
Entangled Polymers ◽  
Entangled Polymer ◽  
Microscopic Picture

Entangled polymers are analogous to Higgs phenomena. The preserved linking number of the entangled polymer restricts the transverse motion of the test polymer, which corresponds to the microscopic picture of the tube model.

Dynamics of Entangled Polymers

2015 ◽  
Author(s):  
Ronald G. Larson ◽  
Zuowei Wang
Keyword(s):  
Large Deformations ◽  
Nonlinear Viscoelasticity ◽  
Polymer Dynamics ◽  
Tube Model ◽  
Concentration Effects ◽  
Polymer Systems ◽  
Entangled Polymers ◽  
Entangled Polymer ◽  
Future Work ◽  
Entangled Polymer Solutions

This article explores the dynamics of entangled polymers, with particular emphasis on how the unusual and often dramatic mechanical properties of concentrated polymer systems are determined by the physics of entanglements. It begins with an overview of the foundations of entangled polymer dynamics, organized around tubes and slip links used in modeling entanglements, the packing length and concentration effects, the results of computer simulations on entanglements, topological contacts, and the effects of large deformations. The focus is on the nature of ‘entanglement’, both from a bottom-up molecular view, and from a phenomenological one. The discussion then turns to the linear viscoelasticity of entangled polymer solutions and melts, along with nonlinear viscoelasticity. Models of polymer dynamics in the linear regime are also described, including the ‘standard tube model’. The article concludes with suggestions for future work.

Quantifying chain reptation in entangled polymer melts: Topological and dynamical mapping of atomistic simulation results onto the tube model

2010 ◽  
Vol 132 (12) ◽  
pp. 124904 ◽  
Author(s):  
Pavlos S. Stephanou ◽  
Chunggi Baig ◽  
Georgia Tsolou ◽  
Vlasis G. Mavrantzas ◽  
Martin Kröger
Keyword(s):  
Atomistic Simulation ◽  
Polymer Melts ◽  
Tube Model ◽  
Entangled Polymer ◽  
Simulation Results ◽  
Entangled Polymer Melts ◽  
Dynamical Mapping

Rational Design of Novel Materials From Polymer Microrheology

2010 ◽  
Author(s):  
Rodrigo E. Teixeira ◽  
Richard S. Graham
Keyword(s):  
Rational Design ◽  
Molecular Level ◽  
Pressure Vessels ◽  
Novel Materials ◽  
Entangled Polymers ◽  
Stochastic Fluctuations ◽  
Safety Margins ◽  
Polymer Liquids ◽  
Entangled Polymer ◽  
High Degree

The visco-elastic properties of entangled polymer liquids arise from molecular-scale topological interactions and stochastic fluctuations under flow. Here, the evolutions of individual entangled polymers were observed in rheologically relevant shear flow histories. We uncover a high degree of molecular individualism and broad conformational distributions resulting from incessant stretch-collapse cycles. The data and insights of the present study may lead to improved molecular-level models and constitutive equations. These tools, in turn, may enable the rational design of novel materials with properties tailored to accomplish specific tasks such as high-pressure vessels and piping with greater safety margins and cost-effectiveness.

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