ReaxFF molecular dynamics simulation of the thermal decomposition reaction of bio-based polyester materials-Reference-Cited by-同舟云学术

ReaxFF molecular dynamics simulation of the thermal decomposition reaction of bio-based polyester materials

Published:2023 Issue:13 Volume:25 Page:9445-9453
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Li Xinyu¹²³,Han Yue¹²³,Qu Jiajun¹²³,Chen Qionghai¹²³,Wei Yuan¹²³,Hou Guanyi⁴,Liu Jun¹²³^ORCID

Affiliation:

1. Key Laboratory of Beijing City on Preparation and Processing of Novel Polymer Materials, Beijing University of Chemical Technology, Beijing 100029, China

2. State Key Laboratory of Organic–Inorganic Composites, Beijing University of Chemical Technology, Beijing 100029, China

3. Center of Advanced Elastomer Materials, Beijing University of Chemical Technology, Beijing 100029, China

4. College of Chemistry and Materials Engineering, Beijing Technology and Business University, Beijing 100048, China

Abstract

The ReaxFF molecular dynamics simulation method was employed for investigating the thermal decomposition mechanism of bio-based polyester elastomers.

Funder

National Outstanding Youth Science Fund Project of National Natural Science Foundation of China

National Natural Science Foundation of China

Natural Science Foundation of Beijing Municipality

Fundamental Research Funds for the Central Universities

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D2CP04799C

Reference41 articles.

1. From monomers to polymers from renewable resources: Recent advances

2. Next-generation polymers: Isosorbide as a renewable alternative

3. Sustainable polymers from biomass: Bridging chemistry with materials and processing

4. Recent advances in vegetable oil-based polymers and their composites

5. Bio-based polyesters: Recent progress and future prospects

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