Next Article in Journal
A High-Performance and Low-Cost Soy Flour Adhesive with a Hydroxymethyl Melamine Prepolymer
Next Article in Special Issue
Hydrodynamic Shear Effects on Grafted and Non-Grafted Collapsed Polymers
Previous Article in Journal
Acylation of Lignin with Different Acylating Agents by Mechanical Activation-Assisted Solid Phase Synthesis: Preparation and Properties
Previous Article in Special Issue
Rotation Dynamics of Star Block Copolymers under Shear Flow
Article Menu
Issue 8 (August) cover image

Export Article

Open AccessArticle
Polymers 2018, 10(8), 908; https://doi.org/10.3390/polym10080908

Efficient Determination of Slip-Link Parameters from Broadly Polydisperse Linear Melts

1
Department of Chemical and Biological Engineering and Center for Molecular Study of Condensed Soft Matter, Illinois Institute of Technology, 3440 S. Dearborn Street, Chicago, IL 60616, USA
2
Department of Physics and Department of Applied Mathematics, Illinois Institute of Technology, 3101 S. Deaborn St., Chicago, IL 60616, USA
3
ExxonMobil Chemical Company, 5200 Bayway Drive, Baytown, TX 77520, USA
These authors contributed equally to this work.
*
Authors to whom correspondence should be addressed.
Received: 3 July 2018 / Revised: 4 August 2018 / Accepted: 7 August 2018 / Published: 12 August 2018
(This article belongs to the Special Issue Polymer Dynamics)
Full-Text   |   PDF [998 KB, uploaded 12 August 2018]   |  

Abstract

We investigate the ability of a coarse-grained slip-link model and a simple double reptation model to describe the linear rheology of polydisperse linear polymer melts. Our slip-link model is a well-defined mathematical object that can describe the equilibrium dynamics and non-linear rheology of flexible polymer melts with arbitrary polydispersity and architecture with a minimum of inputs: the molecular weight of a Kuhn step, the entanglement activity, and Kuhn step friction. However, this detailed model is computationally expensive, so we also examine predictions of the cheaper double reptation model, which is restricted to only linear rheology near the terminal zone. We report the storage and loss moduli for polydisperse polymer melts and compare with experimental measurements from small amplitude oscillatory shear. We examine three chemistries: polybutadiene, polypropylene and polyethylene. We also use a simple double reptation model to estimate parameters for the slip-link model and examine under which circumstances this simplified model works. The computational implementation of the slip-link model is accelerated with the help of graphics processing units, which allow us to simulate in parallel large ensembles made of up to 50,000 chains. We show that our simulation can predict the dynamic moduli for highly entangled polymer melts over nine decades of frequency. Although the double reptation model performs well only near the terminal zone, it does provide a convenient and inexpensive way to estimate the entanglement parameter for the slip-link model from polydisperse data. View Full-Text
Keywords: polymer melts; entanglements; rheology; simulations polymer melts; entanglements; rheology; simulations
Figures

Figure 1

This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).
SciFeed

Share & Cite This Article

MDPI and ACS Style

Valadez-Pérez, N.E.; Taletskiy, K.; Schieber, J.D.; Shivokhin, M. Efficient Determination of Slip-Link Parameters from Broadly Polydisperse Linear Melts. Polymers 2018, 10, 908.

Show more citation formats Show less citations formats

Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.

Related Articles

Article Metrics

Article Access Statistics

1

Comments

[Return to top]
Polymers EISSN 2073-4360 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert
Back to Top