A new methodology to calculate process rates in a kinetic Monte Carlo model of PAH growth

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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Bibliographic Details
Main Authors: Leon, Gustavo, Eaves, Nick, Akroyd, Jethro, Mosbach, Sebastian, Kraft, Markus
Other Authors: School of Chemical and Biomedical Engineering
Format: Article
Language:English
Published: 2021
Subjects:
Engineering::Chemical engineering
Modelling
Polycyclic Aromatic Hydrocarbon
Online Access:https://hdl.handle.net/10356/152232
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Institution: Nanyang Technological University
Language: English

Internet

https://hdl.handle.net/10356/152232

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