EconPapers    
Economics at your fingertips  
 

Pyrolysis behavior of automotive polypropylene plastics: ReaxFF molecular dynamics study on the co-pyrolysis of polypropylene and EPDM/POE

Guanlun Guo, Kang Fan, Ziqing Guo and Wei Guo

Energy, 2023, vol. 280, issue C

Abstract: The pyrolysis mechanism of automotive polypropylene (PP) plastics is essential for their recycling. Ethylene-propylene-diene monomer (EPDM) rubber and polyolefin elastomers (POE) are two common additives used in automotive polypropylene plastics, but little is known about the influence of the above two on PP pyrolysis. In this work, the molecular models of EPDM and POE were constructed. Then the pyrolysis behaviors of PP, EPDM, and POE were investigated by reactive force field molecular dynamics (ReaxFF MD), and also the co-pyrolysis of PP and EPDM/POE. The results showed that the content of C40+ products decreased rapidly and the other components were formed in 300–400 ps (2000–2500 K) in all the systems. The co-pyrolysis of PP and EPDM promoted the formation of the tar and delayed the formation of C40+ products. While the co-pyrolysis of PP and POE increased the gas formation, especially C2H2 and C3H4, but inhibited the formation of heavier components. It was also found that C2H2 was mainly from C2H3, C3H5, and C5H6, and C3H4 was mainly from C3H3, C3H5, C4H7, C6H8, and C6H9. The contents of C2H3, C3H3 and C3H5 were significantly high in the PP-POE system. Finally, the associated radical reactions were observed in the overall reaction pathways.

Keywords: Automotive polypropylene plastics; Co-pyrolysis; ReaxFF MD; Synergistic effect; Synergistic mechanism; Reaction pathway (search for similar items in EconPapers)
Date: 2023
References: Add references at CitEc
Citations:

Downloads: (external link)
http://www.sciencedirect.com/science/article/pii/S0360544223015967
Full text for ScienceDirect subscribers only

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:eee:energy:v:280:y:2023:i:c:s0360544223015967

DOI: 10.1016/j.energy.2023.128202

Access Statistics for this article

Energy is currently edited by Henrik Lund and Mark J. Kaiser

More articles in Energy from Elsevier
Bibliographic data for series maintained by Catherine Liu (repec@elsevier.com).

 
Page updated 2024-12-28
Handle: RePEc:eee:energy:v:280:y:2023:i:c:s0360544223015967