A new methodology to calculate process rates in a kinetic Monte Carlo model of PAH growth
This paper develops a new methodology to calculate the process rates in a kinetic Monte Carlo (KMC) model of polycyclic aromatic hydrocarbon (PAH) growth. The methodology uses a combination of the steady-state and partial-equilibrium approximations. It shows good agreement with the results from simu...
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Main Authors: | Leon, Gustavo, Eaves, Nick, Akroyd, Jethro, Mosbach, Sebastian, Kraft, Markus |
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其他作者: | School of Chemical and Biomedical Engineering |
格式: | Article |
語言: | English |
出版: |
2021
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主題: | |
在線閱讀: | https://hdl.handle.net/10356/152232 |
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機構: | Nanyang Technological University |
語言: | English |
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