Theoretical chemists are developing complex chemical models that describe the combustion of a variety of biofuels; these models will ultimately help predict and optimize the performance of current and future engines. This work includes:
4 Performing theoretical calculations to provide kinetics data for important chemical reactions,
4 Incorporating the data into a full chemical-kinetics model that provides ignition delay data and predictions on emissions formation during the combustion event,
4 Using global sensitivity analysis to identify key data needs for an improved mechanism, and
4 Performing new experiments and calculations to determine the data identified by this analysis, and then continuing to improve the model.
Argonne researcher Matthew Culpepper analyzes a gel pattern of proteins produced in the bacteria employed in biofuels production strategies. The engineered forms of many key proteins involved in the research can be purified easil , as seen in the gel lanes where patterns become simpler as samples become enriched in the protein of interest (left to right).
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Processing and Separations
First Principles Combustion Chemistry
Modeling and Fundamental Testing
Modeling, Testing, Design and Optimization
In Situ Engine Studies
Feedstock to Wheels Life Cycle Analysis
In Situ Testing and Characterization
Argonne’s unique research cycle provides the opportunity to specifically design fuel properties around the engine requirements. Fuel analysis and chemical kinetics modeling provides detailed information on the chemical reaction pathways and allows prediction of emissions. Feedstock and fuel processing analysis provides preferred, high-efficiency production pathways. The properties of new fuels enable increased benefits of advanced engine technologies, such as variable valve timing and compression ratio, to maximize efficiency and significantly reduce emissions.