Publications

Found 262 results
2010
Jain A, Seyed-Reihani S-A, Fischer C, Couling D, Ceder G, Green WH.  2010.  Ab initio Screening of Metal Sorbents for Elemental Mercury Capture in Syngas Streams. Chemical Engineering Science. 65:3025-3033.
Van Geem KM, Pyl SP, Marin GB, Harper MR, Green WH.  2010.  Accurate Reaction Networks for Alternative Fuels: Butanol Isomers. Industrial & Engineering Chemistry Research. 49:10399-10420.
Oluwole OO, Wong H-W, Miake-Lye RC, Green WH.  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.
Sharma S, Raman S, Green WH.  2010.  Intramolecular Hydrogen Migration in Alkylperoxy and Hydroperoxy-alkylperoxy Radicals: Accurate Treatment of Hindered Rotors. Journal of Physical Chemistry A. 114:5689-5701.
Sharma S, Harper MR, Green WH.  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.
Jalan A, Ashcraft RW, West RH, Green WH.  2010.  Predicting Solvation Energies for Kinetic Modeling. Annual Reports on the Progress of Chemistry Section C. 106:1-49.
Mittal V, Heywood J, Green WH.  2010.  The Underlying Physics and Chemistry Behind Fuel Sensitivity. SAE International Journal of Fuels and Lubricants. 3:256-265.
Magoon GR, Green WH, Oluwole OO, Wong H-W, Albo SE, Lewis DK.  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.
2009
West RH, Harper MR, Green WH.  2009.  21st-Century Kinetics: Quantitative Predictions from First Principles. Proceedings of the 8th World Congress of Chemical Engineering.
D. Blaylock W, Ogura T, Green WH, Beran GJO.  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.
Sharma S, Green WH.  2009.  Computed rate coefficients and product yields for C5H5 + CH3 = products. Journal of Physical Chemistry A. 113:8871-8882.
West RH, Shirley RA, Kraft M, Goldsmith CF, Green WH.  2009.  A Detailed Kinetic Model for Combustion Synthesis of Titania from TiCl4. Combustion and Flame. 156:1764-1770.
Sharma S, Green WH.  2009.  Formation of Styrene from propargyl and cyclopentadienyl. Proceedings of the 6th US National Combustion Meeting.
C. Goldsmith F, Ismail H, Abel PR, Green WH.  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.
C. Goldsmith F, Ismail H, Green WH.  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.
Ismail H, Abel PR, Green WH, Fahr A, Jusinski L, Knepp A, Zador J, Meloni G, Selby T, Osborn D et al..  2009.  Temperature-Dependent Kinetics of the Vinyl Radical (C2H3) Self-Reaction. Journal of Physical Chemistry A. 113:1278-1286.
Singer MA, Green WH.  2009.  Using adaptive proper orthogonal decomposition to solve the reaction-diffusion equation. Applied Numerical Mathematics. 59:272-279.

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