文献类型：期刊文献

英文题名：Kinetic, products distribution, and mechanism analysis for the pyrolysis of polyglycolic acid toward carbon cycle

作者：Li, Chenyang[1];Meng, Xin[1];Gong, Weiguang[2];Chen, Shiyuan[1];Xin, Zhong[1]

机构：[1]East China Univ Sci & Technol, Dept Prod Engn, Shanghai Key Lab Multiphase Mat Chem Engn, Shanghai 200237, Peoples R China;[2]East China Univ Sci & Technol, Res & Dev Ctr Sports Mat, Shanghai 200237, Peoples R China

年份：2023

卷号：333

外文期刊名：FUEL

收录：;EI(收录号：20224513092172);WOS:【SCI-EXPANDED(收录号:WOS:000892088600002)】；

基金：This work was financially supported by Ningbo Public Welfare Sci- ence and Technology Project (NO. 2021S09) . The authors thanked Pujing Chemical Industry CO., LTD for the help on TG-DTA character- ization. The authors thanked Dr. Qiang Liu and Dr. Yanhua Lan for the help in data analysis.

语种：英文

外文关键词：Polyglycolic acid; Pyrolysis; Kinetic; Product distribution; Reaction pathway; ReaxFF-MD

摘要：Present investigation was aimed at exploring the pyrolysis kinetics, product distribution, and mechanisms of polyglycolic acid (PGA) via experiments and reactive force field molecular dynamic (ReaxFF-MD) simulations to establish a foundation for the recycling of raw materials in the future. The kinetic analysis presented that the PGA pyrolysis belonged to the contracting cylinder model with the apparent activation energy ranged from 138.1 to 141.7 kJ/mol. The gaseous product was determined to contain carbon dioxide, carbon monoxide, and formal-dehyde through TG-IR and TG-MS, and Py-GC/MS results showed that the yield of glycolide reached the maximum at 450 degrees C. The ReaxFF-MD simulation revealed that the initial pyrolysis pathway for PGA was the cleavage of alkoxy bond, followed by C-C bond and acyloxy bond with the generation of carbon dioxide, carbon monoxide, formaldehyde, and ethenone. This study would provide comprehensive experiment data and mean-ingful guidance for recycling PGA to achieve a closed-loop economy.