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] Shanghai Key Laboratory of Multiphase Materials Chemical Engineering, Department of Product Engineering, East China University of Science and Technology, Shanghai, 200237, China; [2] Research and Development Center for Sports Materials, East China University of Science and Technology, Shanghai, 200237, China

年份：2022

外文期刊名：SSRN

收录：EI(收录号：20220312050)

语种：英文

外文关键词：Activation analysis - Activation energy - Carbon dioxide - Carbon monoxide - Formaldehyde - Molecular dynamics - Plastic recycling - Pyrolysis

摘要：Recently, market demand for polyglycolic acid (PGA) in the application field of packaging is increasing due to the excellent degradation performance with the promotion of the plastic bag ban. Present investigation was aimed at exploring the pyrolysis kinetics, product distribution, and mechanisms of 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. Experiment results based on TG analysis showed that the apparent activation energy for PGA pyrolysis ranged from 138.1 to 141.7 kJ/mol by iso-conversional models, and the kinetic reaction was identified to be the contracting cylinder model. The gaseous product was determined to contain carbon dioxide, carbon monoxide, and formaldehyde through TG-IR and TG-MS, and Py-GC/MS results showed that the yield of glycolide reached maximum at 450 °C. Additionally, the microscopic pyrolysis pathway was revealed by ReaxFF-MD simulations, which were consisted with the actual experiments. The results showed 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 meaningful guidance for recycling PGA to achieve a closed-loop economy. ? 2022, The Authors. All rights reserved.