Current status of the high-temperature kinetic models of silane: Part I. Pyrolysis

Karl P. Chatelain, Yizhuo He, Reham Alharbi, Rémy Mével, Eric L. Petersen, Deanna Lacoste

Research output: Contribution to journalArticlepeer-review

8 Scopus citations


The present work compares the performance of seven reaction models with respect to a large experimental dataset relevant to the high-temperature pyrolysis of both silane (SiH) and disilane (SiH). Their performances were established based on different validation criteria that account for the shape and the amplitude of the validation profile. Then, the model performances were quantified with a global error, which accounts for the experimental uncertainties. The most satisfactory model has a global error as low as 3.1 (i.e., meaning 3.1 times higher than the experimental uncertainty) and the highest fraction (74%) of criteria with a low error (), while most of the models have large discrepancies with the validation dataset, global error near 8 and up to 110 for the less accurate model. The origins of these discrepancies are identified with reaction pathway and sensitivity analyses. Among the seven tested model, three main decomposition pathways are evidenced, including one more specific to the models presenting the lowest errors. Based on the global error values, the ability to reproduce all the experimental conditions, and the model analyses, the reaction pathways relevant to the high-temperature pyrolysis of silane and disilane are determined. In addition, the present study provides experimental and numerical guidance for the future developments of silicon hydride reaction models. The limited performance of most of the oldest reaction models may have a significant impact on our current understanding of the pyrolysis and oxidation kinetics of silane.
Original languageEnglish (US)
JournalCombustion and Flame
StatePublished - Dec 2020

Bibliographical note

KAUST Repository Item: Exported on 2020-12-07
Acknowledged KAUST grant number(s): CCF 2019/2020
Acknowledgements: Partial support was provided by the King Abdullah University of Science and Technology, through the Center Competitive Fund 2019/2020. Rémy Mével was supported by a start-up funding from the Center for Combustion Energy from Tsinghua University and the 1000 Young Talent of China program. Yizhuo He was funded by China Postdoctoral Science Foundation (grant number 2019M650674). The authors are gratefull to Mustapha Fikri, Institut für Verbrennung und Gasdynamik, for providing Hans-Juergen Mick’s PhD thesis manuscript.


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