Patrick Singal receives the 2024 Charles P. Fenimore Best Student Presentation Award for his presentation of the paper entitled "Implementation of new mixture rules in Cantera and implications for H2 and NH3 combustion simulations" at the 2024 Spring Technical Meeting of the Eastern States Section of the Combustion Institute in Athens, Georgia. Congrats Paddy!
Avery presented "Chemical Kinetic Modeling of Ammonium Perchlorate Using Automatic Reaction Mechanism Generation"
Ella presented "Unraveling Discrepancies among Theoretical and Experimental Data for NH2 + CH4 = NH3 + CH3"
Joe presented "Considering Physical Model Structural Uncertainty in Optimal Experimental Design: Application to HNNO Reactions"
Jon presented "Towards a High-Accuracy Kinetic Database Informed by Theoretical and Experimental Data: Anchoring a Core Reaction Set"
Paddy presented "Systematic Consideration of Third-Body Efficiencies with New Mixture Rules in Combustion Modeling"
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Thanks to Paddy and Ray Speth (MIT), Cantera 3.1+ implements our group's Linear-Mixture-Rule-in-Reduced-pressure (LMR-R) (e.g. from Lei and Burke JPCA 2018 and Burke and Song PROCI 2017)!
The full implementation details and YAML format usage are described in the Cantera documentation:
Implementation details
YAML format usage
and Paddy's 2024 PROCI paper:
P.J. Singal, J. Lee, L. Lei, R.L. Speth, M.P. Burke, "Implementation of New Mixture Rules Has a Substantial Impact on Combustion Behavior of H2 and NH3," Proceedings of the Combustion Institute 40 (2024) 105779.
P.J. Singal, J. Lee, L. Lei, R.L. Speth, M.P. Burke, "Implementation of New Mixture Rules Has a Substantial Impact on Combustion Behavior of H2 and NH3," Proceedings of the Combustion Institute 40 (2024) 105779.
R.E. Cornell, M.P. Burke, "The Discovery of Non-Equilibrium Kinetic Sequences Important to Ammonia/Co-Fuel and Propellant Flames," Proceedings of the Combustion Institute 40 (2024) 105265.
M.C. Barbet, J. Lee, C.E. LaGrotta, R.E. Cornell, M.P. Burke, "An Experimental Platform for Semi-Autonomous Kinetic Model Refinement Combining Optimal Experimental Design, Computer-controlled Experiments, and Optimization Leads to New Understanding of N2O + O," Combustion and Flame 267 (2024) 113562.
J. Lee, M.C. Barbet, C.E. LaGrotta, Q. Meng, L. Lei, F.M. Haas, M.P. Burke, "A Consistent Explanation of Seemingly Inconsistent Experimental and Theoretical Data for N2O + O via MultiScale Informatics," Combustion and Flame 267 (2024) 113563.
Joe presented "Targeting the HNNO pathway to NOx formation with Jet-Stirred Reactor Experiments Selected by Optimal Experimental Design"
Jon presented "Resolving Discrepancies among Experimental and Theoretical Data for the CH3 + OH Reaction using MultiScale Informatics"
Paddy presented "Implementation of New Mixture Rules in Cantera and Implications for H2 and NH3 Combustion Simulations"
R.E. Cornell, M.P. Burke, "Low-Temperature Oxidation Pathways are Critical to Thermal Incineration of PFAS-Laden Materials," Journal of Hazardous Materials Letters 5 (2024) 100100.
J. Lee, M.C. Barbet, Q. Meng, R.E. Cornell, M.P. Burke, "Experimental Support for a New NOx Formation Route via an HNNO Intermediate," Combustion and Flame 257 (2023) 112632.
Mark successfully defended his Ph.D. thesis on "Progress Towards Automatic Chemical Kinetic Model Development"
Congrats, Dr. Barbet!
Carly successfully defended her Ph.D. thesis on "MultiScale Data-Driven Modeling of Foundational Combustion Reaction Systems"
Congrats, Dr. LaGrotta!
C.E. LaGrotta, Q. Meng, L. Lei, M.C. Barbet, Z. Hong, M.P. Burke, “Resolving Discrepancies Between State-of-the-Art Theory and Experiment for HO2 + HO2 via Multiscale Informatics,” Journal of Physical Chemistry A 127 (2023) 799–816.