Argonne-Sandia Consortium on High-Pressure Combustion Chemistry

A collaborative effort between the Gas Phase Chemical Physics program at the Combustion Research Facility and the Chemical Dynamics in the Gas Phase group at Argonne National Laboratory, the consortium program focuses forefront research in gas phase chemical physics on the critical national energy mission of combustion. The program provides the framework for rigorous predictions of combustion chemistry through the design and implementation of novel experiments, theory, and modeling to characterize high-pressure combustion kinetics from elementary reactions, to submechanisms, to flames.

The core of the program’s strategy is to coordinate modeling, experiment, and theory (M-E-T) to accelerate progress in the fundamental understanding of the chemical physics of coupled reactions such as those that drive combustion:

Modeling: Detailed models characterize interrelationships of exothermic reactions that cause emergence of non-equilibrium phenomena

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A unique photolysis reactor, specially designed for sensitive photoionization mass spectrometric characterization of molecules sampled from extremely dilute high-pressure reacting mixtures, allows detailed quantitative high- fidelity time profiles of all reacting species simultaneously. Source:

Experiment: High sensitivity measurements quantify kinetics and probe intermediates in elementary reactions and reaction systems.

Theory: First-principles kinetics rigorously characterizes the interplay of energy transfer and reaction.

Key Contributions


Stephen Klippenstein, Robert Tranter, Raghu Sivaramakrishnan, and Ahren Jasper, Argonne National Laboratory

PIs: Leonid Sheps, Craig Taatjes, Nils Hansen, Judit Zador