Pyrolysis mechanism study of n-heptane as an endothermic hydrocarbon fuel: A reactive molecular dynamic simulation and density functional theory calculation study
| Autor: | Erguang Huo, Shijie Zhang, Liyong Xin, Shukun Wang, Shouyin Cai, Lu Zhang, Mengna Bai |
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| Rok vydání: | 2022 |
| Předmět: | |
| Zdroj: | Computational and Theoretical Chemistry. 1211:113696 |
| ISSN: | 2210-271X |
| DOI: | 10.1016/j.comptc.2022.113696 |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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