100 citations · 128 across the 4 of their papers we have counts for
4 papers · 1 filter
Dynamic Chemical Model for H2/O2 Combustion Developed Through a Community Workflow
James Oreluk, Craig D. Needham, Sathya Baskaran +5
Elementary-reaction models for H2/O2 combustion were evaluated and optimized through a collaborative workflow, establishing accuracy and characterizing uncertainties. Quantitative…
The Impact of Roaming Radicals on the Combustion Properties of Transportation Fuels
Richard H. West, C. Franklin Goldsmith
A systematic investigation on the effects of roaming radical reactions on global combustion properties for transportation fuels is presented. New software was developed that can au…
Assessing impacts of discrepancies in model parameters on autoignition model performance: a case study using butanol
Sai Krishna Sirumalla, Morgan A. Mayer, Kyle E. Niemeyer +1
Side-by-side comparison of detailed kinetic models using a new tool to aid recognition of species structures reveals significant discrepancies in the published rates of many reacti…
Automated transition state theory calculations for high-throughput kinetics
Pierre L. Bhoorasingh, Belinda L. Slakman, Fariba Seyedzadeh Khanshan +2
A scarcity of known chemical kinetic parameters leads to the use of many reaction rate estimates, which are not always sufficiently accurate, in the construction of detailed kineti…