Publications
Found 332 results
Ab initio Screening of Metal Sorbents for Elemental Mercury Capture in Syngas Streams. Chemical Engineering Science. 65:3025-3033.
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2010. Accurate Reaction Networks for Alternative Fuels: Butanol Isomers. Industrial & Engineering Chemistry Research. 49:10399-10420.
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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.
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2010. Intramolecular Hydrogen Migration in Alkylperoxy and Hydroperoxy-alkylperoxy Radicals: Accurate Treatment of Hindered Rotors. Journal of Physical Chemistry A. 114:5689-5701.
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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.
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2010. Predicting Solvation Energies for Kinetic Modeling. Annual Reports on the Progress of Chemistry Section C. 106:1-49.
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2010. The Underlying Physics and Chemistry Behind Fuel Sensitivity. SAE International Journal of Fuels and Lubricants. 3:256-265.
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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.
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2010. 21st-Century Kinetics: Quantitative Predictions from First Principles. Proceedings of the 8th World Congress of Chemical Engineering.
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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.
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2009. Computed rate coefficients and product yields for C5H5 + CH3 = products. Journal of Physical Chemistry A. 113:8871-8882.
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2009. A Detailed Kinetic Model for Combustion Synthesis of Titania from TiCl4. Combustion and Flame. 156:1764-1770.
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2009. Formation of Styrene from propargyl and cyclopentadienyl. Proceedings of the 6th US National Combustion Meeting.
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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.
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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.
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2009. Temperature-Dependent Kinetics of the Vinyl Radical (C2H3) Self-Reaction. Journal of Physical Chemistry A. 113:1278-1286.
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2009. Using adaptive proper orthogonal decomposition to solve the reaction-diffusion equation. Applied Numerical Mathematics. 59:272-279.
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2009. Building and Solving Accurate Combustion Chemistry Simulations. Journal of the Combustion Society of Japan. 50:19-28.
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2008. Co-oxidation of ammonia and ethanol in supercritical water, part 2: Modeling demonstrates the importance of H2NNOx. International Journal of Chemical Kinetics. 40:653-662.
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2008. Detailed Chemical Kinetic Simulations of HCCI Engine Transients. International Journal of Engine Research. 9:149-164.
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2008. Experimental study of catalyst nanoparticle and single walled carbon nanotube formation in a controlled premixed combustion. Journal of Materials Chemistry. 18:1561-1569.
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2008. Modelling Gas-Phase Synthesis of Single-Walled Carbon Nanotubes on Iron Catalyst Particles. Carbon. 46:422-433.
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2008. Optimal Automatic Reaction and Species Elimination in Kinetic Mechanisms. Combustion & Flame. 155:118-132.
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2008. Predicted Reaction Rates of HxNyOz Intermediates in the Oxidation of Hydroxylamine by Aqueous Nitric Acid. Journal of Physical Chemistry A. 112:7577-7593.
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2008. Primary Reference Fuel Behavior in a HCCI Engine Near the Low-Load Limit. SAE. 1667:2008-01.
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