Next Article in Journal
Static-Aligned Piezoelectric Poly (Vinylidene Fluoride) Electrospun Nanofibers/MWCNT Composite Membrane: Facile Method
Previous Article in Journal
Insights into Bacterial Cellulose Biosynthesis from Different Carbon Sources and the Associated Biochemical Transformation Pathways in Komagataeibacter sp. W1
Previous Article in Special Issue
Coupled Hygro-Mechanical Finite Element Method on Determination of the Interlaminar Shear Modulus of Glass Fiber-Reinforced Polymer Laminates in Bridge Decks under Hygrothermal Aging Effects
Article Menu

Export Article

Open AccessArticle
Polymers 2018, 10(9), 964; https://doi.org/10.3390/polym10090964

Designing the Slide-Ring Polymer Network with both Good Mechanical and Damping Properties via Molecular Dynamics Simulation

1
Key Laboratory of Beijing City on Preparation and Processing of Novel Polymer Materials, Beijing University of Chemical Technology, Beijing 100029, China
2
Department of Polymer Science and Engineering, Jiaxing University, Jiaxing 314001, China
3
Beijing Engineering Research Center of Advanced Elastomers, Beijing University of Chemical Technology, Beijing 100029, China
4
Engineering Research Center of Elastomer Materials on Energy Conservation and Resources, Beijing University of Chemical Technology, Beijing 100029, China
5
Beijing Advanced Innovation Center for Soft Matter Science and Engineering, Beijing University of Chemical Technology, Beijing 100029, China
6
State Key Laboratory of Organic-Inorganic Composites, Beijing University of Chemical Technology, Beijing 100029, China
*
Authors to whom correspondence should be addressed.
Received: 21 July 2018 / Revised: 26 August 2018 / Accepted: 29 August 2018 / Published: 1 September 2018
(This article belongs to the Special Issue Simulations of Polymers)
Full-Text   |   PDF [7139 KB, uploaded 3 September 2018]   |  

Abstract

Through coarse-grained molecular dynamics simulation, we have successfully designed the chemically cross-linked (fixed junction) and the slide-ring (SR) systems. Firstly, we examine the dynamic properties such as the mean-square displacement, the bond, and the end-to-end autocorrelation functions as a function of the cross-linking density, consistently pointing out that the SR system exhibits much lower mobility compared with the fixed junction one at the same cross-linking density. This is further validated by a relatively higher glass transition temperature for the SR system compared with that of the fixed junction one. Then, we calculated the effect of the cross-linking density on the stretch-recovery behavior for the SR and fixed junction systems. Although the chain orientation of the SR system is higher than that of the fixed-junction system, the tensile stress is smaller than the latter. We infer that much greater chain sliding can occur during the stretch, because the movable ring structure homogeneously sustains the external force of the SR system, which, therefore, leads to much larger permanent set and higher hysteresis during the recovery process compared with the fixed-junction one. Based on the stretch-recovery behavior for various cross-linking densities, we obtain the change of the hysteresis loss, which is larger for the SR system than that of the fixed junction system. Lastly, we note that the relatively bigger compressive stress for the SR system results from the aggregation of the rigid rings compared with the fixed junction system. In general, compared with the traditionally cross-linked system, a deep molecular-level insight into the slide-ring polymer network is offered and thus is believed to provide some guidance to the design and preparation of the slide-ring polymer network with both good mechanical and damping properties. View Full-Text
Keywords: slide-ring polymer; dynamic properties; chain sliding slide-ring polymer; dynamic properties; chain sliding
Figures

Graphical abstract

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).

Supplementary material

SciFeed

Share & Cite This Article

MDPI and ACS Style

Zhang, Z.; Hou, G.; Shen, J.; Liu, J.; Gao, Y.; Zhao, X.; Zhang, L. Designing the Slide-Ring Polymer Network with both Good Mechanical and Damping Properties via Molecular Dynamics Simulation. Polymers 2018, 10, 964.

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