Found 317 results
Screening of Binary Alloys for Warm Temperature Capture of Elemental Mercury using Density Functional Theory. Chemical Engineering Science. 80:128-133.. 2012.
Analysis of Membrane & Adsorbent Processes for Warm Syngas Cleanup in IGCC with CCS. Industrial & Engineering Chemistry Research. 50:11313-11336.. 2011.
Comprehensive Reaction Mechanism for n-Butanol Pyrolysis and Combustion. Combustion & Flame. 158:16-41.. 2011.
Computational Investigation of the Thermochemistry and Kinetics of Steam Methane Reforming over a Multi-Faceted Nickel Catalyst. Topics in Catalysis. 54:828-844.. 2011.
High-Temperature Oxidation Chemistry of n-butanol: Experiments in Low-Pressure Pre-Mixed Flames and Detailed Modeling. Physical Chemistry Chemical Physics. 13:20262-20274.. 2011.
Kinetic Modeling of Methyl Formate Oxidation. 7th US National Technical Meeting of the Combustion Institute, paper 1A06.. 2011.
Redesigning Combustion Modeling Algorithms for the Graphics Processing Unit (GPU): Chemical Kinetic Rate Evaluation and Ordinary Differential Equation Integration. Combustion & Flame. 158:836-847.. 2011.
Theoretical rate coefficients for allyl + HO2 and allyloxy decomposition. Proceedings of the Combustion Institute. :273-282.. 2011.
Ab initio Screening of Metal Sorbents for Elemental Mercury Capture in Syngas Streams. Chemical Engineering Science. 65:3025-3033.. 2010.
Accurate Reaction Networks for Alternative Fuels: Butanol Isomers. Industrial & Engineering Chemistry Research. 49:10399-10420.. 2010.
Dynamic Spatial and Temporal Allocation of Reduced Chemical Kinetics Models in Combustion Computational Fluid Dynamics Simulations. 46th AIAA/ASME/SAE/ASEE Joint Propulsion Conference. :6827.. 2010.
Intramolecular Hydrogen Migration in Alkylperoxy and Hydroperoxy-alkylperoxy Radicals: Accurate Treatment of Hindered Rotors. Journal of Physical Chemistry A. 114:5689-5701.. 2010.
Modeling of 1-hexadiene, 2,4-hexadiene and 1,4-hexadiene doped methane flames: Flame modeling, Benzene and Styrene formation. Combustion & Flame. 157:1331-1345.. 2010.
Predicting Solvation Energies for Kinetic Modeling. Annual Reports on the Progress of Chemistry Section C. 106:1-49.. 2010.
The Underlying Physics and Chemistry Behind Fuel Sensitivity. SAE International Journal of Fuels and Lubricants. 3:256-265.. 2010.
Updating Our Understanding of JP-10 Decomposition Chemistry: A Detailed JP-10 Combustion Mechanism Constructed Using RMG an Automatic Reaction Mechanism Generator. 46th AIAA/ASME/SAE/ASEE Joint Propulsion Conference. :2010-6825.. 2010.
21st-Century Kinetics: Quantitative Predictions from First Principles. Proceedings of the 8th World Congress of Chemical Engineering.. 2009.
Computational Investigation of Thermochemistry and Kinetics of Steam Methane Reforming on Ni(111) under Realistic Conditions. Journal of Physical Chemistry C. 113:4894-4908.. 2009.
Computed rate coefficients and product yields for C5H5 + CH3 = products. Journal of Physical Chemistry A. 113:8871-8882.. 2009.
A Detailed Kinetic Model for Combustion Synthesis of Titania from TiCl4. Combustion and Flame. 156:1764-1770.. 2009.
Formation of Styrene from propargyl and cyclopentadienyl. Proceedings of the 6th US National Combustion Meeting.. 2009.
Pressure and Temperature Dependence of the Reaction of Vinyl Radical with Alkenes II: Measured Rates and Predicted Product Distributions for Vinyl + Propene. Proceedings of the Combustion Institute. :139-148.. 2009.
Pressure and Temperature Dependence of the Reaction of Vinyl Radical with Alkenes III: Measured Rates and Predicted Product Distributions for Vinyl + Butene. Journal of Physical Chemistry A. 113:13357-13371.. 2009.