Dynamics and reaction kinetics of coarse-grained bulk vitrimers: a molecular dynamics study-Reference-Cited by-同舟云学术

Dynamics and reaction kinetics of coarse-grained bulk vitrimers: a molecular dynamics study

Published:2019 Issue:24 Volume:21 Page:13258-13267
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Wu Jian-Bo¹²³⁴⁵,Li Shu-Jia¹²³⁴⁵,Liu Hong¹²³⁴⁵^ORCID,Qian Hu-Jun¹²³⁴⁵^ORCID,Lu Zhong-Yuan¹²³⁴⁵^ORCID

Affiliation:

1. State Key Laboratory of Supramolecular Structure and Materials

2. Institute of Theoretical Chemistry

3. Jilin University

4. Changchun 130023

5. China

Abstract

We used the hybrid molecular dynamics–Monte Carlo (MD–MC) algorithm to establish a molecular dynamics model that can accurately reflect bond exchange reactions, and reveal the intrinsic mechanism of the dynamic behavior of the vitrimer system.

Funder

National Natural Science Foundation of China

Jilin University

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP01766F

Reference57 articles.

1. Vitrimers: permanent organic networks with glass-like fluidity

2. Approaches to Sustainable and Continually Recyclable Cross-Linked Polymers

3. Polymer engineering based on reversible covalent chemistry: A promising innovative pathway towards new materials and new functionalities

4. High-performance vitrimers from commodity thermoplastics through dioxaborolane metathesis

5. Silica-Like Malleable Materials from Permanent Organic Networks

Cited by 42 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Effect of molecular structure on the dynamics and viscoelasticity of vitrimers;Polymer;2024-08

2. Molecular Simulation of Covalent Adaptable Networks and Vitrimers: A Review;Polymers;2024-05-11

3. Molecular Dynamics Simulation of In Situ Polymerization: Chain Conformation Transition;Macromolecules;2024-05-08

4. A mini review of the recent progress in coarse-grained simulation of polymer systems;Chinese Journal of Structural Chemistry;2024-05

5. Reactive Molecular Simulation with Size Extrapolation to Bridge the Polymerization Mechanism and Kinetics;Macromolecules;2024-04-16