Ethylene-Oxygen Combustion: From Machine Learning Potential Function Construction to Molecular Dynamics Simulation
. The predicted reaction rates and reaction network show good consistency with established combustion mechanisms. This work provides a basis for extending MLP to the simulation of combustion processes involving more complex fuels.
Authors
- J F
- Yongxin Hu (ORCID: https://orcid.org/0000-0002-2896-5934)
- Shangzhou Liu
- Changjian Xie (ORCID: https://orcid.org/0000-0002-2062-430X)
- Jisen Wu
- Ji Chen (ORCID: https://orcid.org/0009-0000-7147-7496)
Institutions
- Sichuan University (CN)
- Institute of Modern Physics (CN)
Publication Details
- Journal
- The Journal of Physical Chemistry A
- Published
- 2026-04-20
- DOI
- https://doi.org/10.1021/acs.jpca.6c00075
- Primary Topic
- Advanced Combustion Engine Technologies
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- National Natural Science Foundation of China
- Sichuan University