A comprehensive detailed kinetic mechanism for the simulation of transportation fuels

by M. Mehl, S. Wagnon, K. Tsang, G. Kukkadapu, W. Pitz, C. Westbrook, S. M. Sarathy, A. Ahmed
Year:2017

Bibliography

A comprehensive detailed kinetic mechanism for the simulation of transportation fuels
M. Mehl, S. Wagnon, K. Tsang, G. Kukkadapu, W. Pitz, C. Westbrook, S. M. Sarathy, A. Ahmed
Lawrence Livermore National Laboratory (LLNL), Livermore, CA, (2017)

Abstract

Pub_2017_ACD

​This work presents a recently compiled comprehensive model for transportations fuels resulting from the collaboration of three research groups: LLNL, NUI Galway and KAUST. In the past 5 years new fundamental calculations led to significant improvements in the fidelity of detailed kinetic models of important surrogate components (e.g. n-heptane, iso-octane, toluene…) improving predictions of the combustion behavior of pure components and mixtures. By extending the newly adopted reaction rate rules, mechanisms for components that were not included in the previous LLNL gasoline and diesel surrogate mechanisms were developed (e.g. polyalkylated aromatics, cycloalkanes, components from bio-logical sources…). The major features of this updated and extended model are presented together with validation comparisons, examples of applications and future directions.

Keywords

LLNL NUI Polyalkylated
KAUST

"KAUST shall be a beacon for peace, hope and reconciliation, and shall serve the people of the Kingdom and the world."

King Abdullah bin Abdulaziz Al Saud, 1924 – 2015

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