2024 Implementation of New Mixture Rules Has a Substantial Impact on Combustion Behavior of H2 and NH3 Patrick J. Singal Joe Lee Lei Lei Ray L. Speth Michael P. Burke The Discovery of Non-Equilibrium Kinetic Sequences Important to Ammonia/Co-Fuel and Propellant Flames Rodger E. Cornell Michael 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 Mark C. Barbet Joe Lee Carly E. LaGrotta Rodger E. Cornell Michael P. Burke A Consistent Explanation of Seemingly Inconsistent Experimental and Theoretical Data for N2O + O via MultiScale Informatics Joe Lee Mark C. Barbet Carly E. LaGrotta Qinghui Meng Lei Lei Francis M. Haas Michael P. Burke Low-Temperature Oxidation Pathways are Critical to Thermal Incineration of PFAS-Laden Materials Rodger E. Cornell Michael P. Burke 2023 Experimental Support for a New NOx Formation Route via an HNNO Intermediate Joe Lee Mark C. Barbet Qinghui Meng Rodger E. Cornell Michael P. Burke Resolving Discrepancies Between State-of-the-Art Theory and Experiment for HO2 + HO2 via Multiscale Informatics Carly E. LaGrotta Qinghui Meng Lei Lei Mark C. Barbet Zekai Hong Michael P. Burke On the Role of HNNO in NOx Formation Qinghui Meng Lei Lei Joe Lee Michael P. Burke 2022 NH3 Oxidation by NO2 in a Jet-Stirred Reactor: The Effect of Significant Uncertainties in H2NO Kinetics Rodger E. Cornell Mark C. Barbet Joe Lee Michael P. Burke Dissociation-Induced Depletion of High-Energy Reactant Molecules as a Mechanism for Pressure-Dependent Rate Constants for Bimolecular Reactions Michael P. Burke Q. Meng C. Sabaitis 2021 Towards a More Comprehensive Understanding of the Kinetics of a Common Biomass-derived Impurity: NH3 Oxidation by N2O in a Jet-stirred Reactor Rodger E. Cornell Mark C. Barbet Michael P. Burke An Extended Methodology for Automated Calculations of Non-Boltzmann Kinetic Sequences: H + C2H2 + X and Combustion Impact Lei Lei Michael P. Burke Impact of ‘Missing’ Third-Body Efficiencies on Kinetic Model Predictions of Combustion Properties Mark C. Barbet Michael P. Burke Towards a High-Accuracy Kinetic Database Informed by Theoretical and Experimental Data: CH3 + HO2 as a Case Study Carly E. LaGrotta Mark C. Barbet Lei Lei Michael P. Burke Automated Discovery of Influential Chemically Termolecular Reactions in Energetic Material Combustion: A Case Study for RDX Rodger E. Cornell Mark C. Barbet Michael P. Burke Dynamically Evaluating Mixture Effects on Multi-Channel Reactions in Flames: A Case Study for the CH3 + OH Reaction Lei Lei Michael P. Burke Combustion Chemistry in the Twenty-First Century: Developing Theory-Informed Chemical Kinetics Models James A. Miller Raghu Sivaramakrishnan C. Franklin Goldsmith Michael P. Burke Ahren W. Jasper Judit Zádor Nils Hansen Nicole J. Labbe Peter Glarborg 2020 Understanding and Representing the Distinct Kinetics Induced by Reactive Collisions of Rovibrationally Excited Ephemeral Complexes Across Reactive Collider Mole Fractions and Pressures Lei Lei Michael P. Burke Mixture Rules and Falloff are Now Major Uncertainties in Experimentally Derived Rate Parameters for H + O2 (+M) = HO2 (+M) Lei Lei Michael P. Burke 2019 Bath Gas Mixture Effects on Multi-Channel Reactions: Insights and Representations for Systems beyond Single-Channel Reactions Lei Lei Michael P. Burke A Framework for Automatic Discovery of Chemically Termolecular Reactions Mark C. Barbet Kevin McCullough Michael P. Burke Evaluating Mixture Rules and Combustion Implications for Multi-Component Pressure Dependence of Allyl + HO2 Reactions Lei Lei Michael P. Burke 2017 Ephemeral Collision Complexes Mediate Chemically Termolecular Transformations that Affect System Chemistry Michael P. Burke Stephen J. Klippenstein Evaluating Mixture Rules for Multi-Component Pressure Dependence: H + O2 (+M) = HO2 (+M) Michael P. Burke Ruobing Song 2016 Harnessing the Combined Power of Theoretical and Experimental Data through Multi-Scale Informatics Michael P. Burke Comment on ‘When Rate Constants Are Not Enough’ by John R. Barker, Michael Frenklach, and David M. Golden James A. Miller Stephen J. Klippenstein Struan H. Robertson Michael J. Pilling Robin Shannon Judit Zádor Ahren W. Jasper C. Franklin Goldsmith Michael P. Burke 2015 Understanding Low-Temperature First-Stage Ignition Delay: Propane Shamel S. Merchant C. Franklin Goldsmith Aaron V. Vandeputte Michael P. Burke Stephen J. Klippenstein William H. Green New Insights into Low-Temperature Oxidation of Propane from Synchrotron Photoionization Mass Spectrometry and Multi-Scale Informatics Modeling Oliver Welz Michael P. Burke Ivan O. Antonov C. Franklin Goldsmith John D. Savee David L. Osborn Craig A. Taatjes Stephen J. Klippenstein Leonid Sheps Multi-Scale Informatics for Low-Temperature Propane Oxidation: Further Complexities in Studies of Complex Reactions Michael P. Burke C. Franklin Goldsmith Stephen J. Klippenstein Oliver Welz Haifeng Huang Ivan Antonov John D. Savee David L. Osborn Judit Zádor Craig A. Taatjes Leonid Sheps Towards a Quantitative Understanding of the Role of Non-Boltzmann Reactant Distributions in Low-Temperature Oxidation Michael P. Burke C. Franklin Goldsmith Y. Georgievskii Stephen J. Klippenstein Featured Publication edit publication {{ name }} . . . Abstract Citation No resultsThere are no publications with the provided filters. Sort Publications By Keyword filter: {{ filter.label }}
Implementation of New Mixture Rules Has a Substantial Impact on Combustion Behavior of H2 and NH3 Patrick J. Singal Joe Lee Lei Lei Ray L. Speth Michael P. Burke
The Discovery of Non-Equilibrium Kinetic Sequences Important to Ammonia/Co-Fuel and Propellant Flames Rodger E. Cornell Michael 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 Mark C. Barbet Joe Lee Carly E. LaGrotta Rodger E. Cornell Michael P. Burke
A Consistent Explanation of Seemingly Inconsistent Experimental and Theoretical Data for N2O + O via MultiScale Informatics Joe Lee Mark C. Barbet Carly E. LaGrotta Qinghui Meng Lei Lei Francis M. Haas Michael P. Burke
Low-Temperature Oxidation Pathways are Critical to Thermal Incineration of PFAS-Laden Materials Rodger E. Cornell Michael P. Burke
Experimental Support for a New NOx Formation Route via an HNNO Intermediate Joe Lee Mark C. Barbet Qinghui Meng Rodger E. Cornell Michael P. Burke
Resolving Discrepancies Between State-of-the-Art Theory and Experiment for HO2 + HO2 via Multiscale Informatics Carly E. LaGrotta Qinghui Meng Lei Lei Mark C. Barbet Zekai Hong Michael P. Burke
NH3 Oxidation by NO2 in a Jet-Stirred Reactor: The Effect of Significant Uncertainties in H2NO Kinetics Rodger E. Cornell Mark C. Barbet Joe Lee Michael P. Burke
Dissociation-Induced Depletion of High-Energy Reactant Molecules as a Mechanism for Pressure-Dependent Rate Constants for Bimolecular Reactions Michael P. Burke Q. Meng C. Sabaitis
Towards a More Comprehensive Understanding of the Kinetics of a Common Biomass-derived Impurity: NH3 Oxidation by N2O in a Jet-stirred Reactor Rodger E. Cornell Mark C. Barbet Michael P. Burke
An Extended Methodology for Automated Calculations of Non-Boltzmann Kinetic Sequences: H + C2H2 + X and Combustion Impact Lei Lei Michael P. Burke
Impact of ‘Missing’ Third-Body Efficiencies on Kinetic Model Predictions of Combustion Properties Mark C. Barbet Michael P. Burke
Towards a High-Accuracy Kinetic Database Informed by Theoretical and Experimental Data: CH3 + HO2 as a Case Study Carly E. LaGrotta Mark C. Barbet Lei Lei Michael P. Burke
Automated Discovery of Influential Chemically Termolecular Reactions in Energetic Material Combustion: A Case Study for RDX Rodger E. Cornell Mark C. Barbet Michael P. Burke
Dynamically Evaluating Mixture Effects on Multi-Channel Reactions in Flames: A Case Study for the CH3 + OH Reaction Lei Lei Michael P. Burke
Combustion Chemistry in the Twenty-First Century: Developing Theory-Informed Chemical Kinetics Models James A. Miller Raghu Sivaramakrishnan C. Franklin Goldsmith Michael P. Burke Ahren W. Jasper Judit Zádor Nils Hansen Nicole J. Labbe Peter Glarborg
Understanding and Representing the Distinct Kinetics Induced by Reactive Collisions of Rovibrationally Excited Ephemeral Complexes Across Reactive Collider Mole Fractions and Pressures Lei Lei Michael P. Burke
Mixture Rules and Falloff are Now Major Uncertainties in Experimentally Derived Rate Parameters for H + O2 (+M) = HO2 (+M) Lei Lei Michael P. Burke
Bath Gas Mixture Effects on Multi-Channel Reactions: Insights and Representations for Systems beyond Single-Channel Reactions Lei Lei Michael P. Burke
A Framework for Automatic Discovery of Chemically Termolecular Reactions Mark C. Barbet Kevin McCullough Michael P. Burke
Evaluating Mixture Rules and Combustion Implications for Multi-Component Pressure Dependence of Allyl + HO2 Reactions Lei Lei Michael P. Burke
Ephemeral Collision Complexes Mediate Chemically Termolecular Transformations that Affect System Chemistry Michael P. Burke Stephen J. Klippenstein
Evaluating Mixture Rules for Multi-Component Pressure Dependence: H + O2 (+M) = HO2 (+M) Michael P. Burke Ruobing Song
Harnessing the Combined Power of Theoretical and Experimental Data through Multi-Scale Informatics Michael P. Burke
Comment on ‘When Rate Constants Are Not Enough’ by John R. Barker, Michael Frenklach, and David M. Golden James A. Miller Stephen J. Klippenstein Struan H. Robertson Michael J. Pilling Robin Shannon Judit Zádor Ahren W. Jasper C. Franklin Goldsmith Michael P. Burke
Understanding Low-Temperature First-Stage Ignition Delay: Propane Shamel S. Merchant C. Franklin Goldsmith Aaron V. Vandeputte Michael P. Burke Stephen J. Klippenstein William H. Green
New Insights into Low-Temperature Oxidation of Propane from Synchrotron Photoionization Mass Spectrometry and Multi-Scale Informatics Modeling Oliver Welz Michael P. Burke Ivan O. Antonov C. Franklin Goldsmith John D. Savee David L. Osborn Craig A. Taatjes Stephen J. Klippenstein Leonid Sheps
Multi-Scale Informatics for Low-Temperature Propane Oxidation: Further Complexities in Studies of Complex Reactions Michael P. Burke C. Franklin Goldsmith Stephen J. Klippenstein Oliver Welz Haifeng Huang Ivan Antonov John D. Savee David L. Osborn Judit Zádor Craig A. Taatjes Leonid Sheps
Towards a Quantitative Understanding of the Role of Non-Boltzmann Reactant Distributions in Low-Temperature Oxidation Michael P. Burke C. Franklin Goldsmith Y. Georgievskii Stephen J. Klippenstein