Combustion Chemistry
Why? Task Mission
Develop chemical kinetic models to predict the effects of new fuel blendstocks (including oxygenates) and their blends with conventional gasoline on combustion systems. These models can be reduced and used in full-engine simulations to advance the development of cleaner and more fuel-efficient engines.
Project Duration: 2014-2029
Task Contact

Scott W. Wagnon
Lawrence Livermore National Laboratories (USA)
wagnon1@llnl.gov

Key Deliverables
- Acquire quantitative data on species concentrations, flame speeds, and ignition delay to support the development of chemical kinetic mechanisms
- Identify important oxidation pathways needed for chemical kinetic model development.
- Develop and validate chemical kinetic models for new fuel blendstocks.
Activities
- Completed: Studies on ethyl & methyl valerate fuels produced from biomass.
- Completed: Studies on anisole, a surrogate for the pyrolysis of miomass
- Ongoing: Develop a chemical kinetic model for bio-derived diisobutylene to gain insights into its chemistry and source of its high-octane properties; Validate the model with measurements of products from its decomposition, and measurements of its laminar flame speed.
Policy Relevance
The development of accurate chemical kinetic models will help in the prediction of effects of new fuels, including bio-based and their blends with conventional gasoline, on combustion systems. This will contribute to maximizing combusion efficiency, minimizing pollutant emissions (e.g., soot and NOx) and the carbon footprint in all combustion devices including internal combustion (IC) engines, gas turbine combustors and industrial burners.
Publications
Publications relating to Combustion Chemistry:
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