Publications

Found 332 results
2010
Jain A, Seyed-Reihani S-A, Fischer C, Couling DJ, 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 JB, 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 LE, Knepp A, Zador J, Meloni G, Selby T, Osborn DL 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.
2008
Green WH.  2008.  Building and Solving Accurate Combustion Chemistry Simulations. Journal of the Combustion Society of Japan. 50:19-28.
Ploeger JM, Green WH, Tester JW.  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.
Angelos JP, Puignou M, Andreae MM, Cheng WK, Green WH, Singer MA.  2008.  Detailed Chemical Kinetic Simulations of HCCI Engine Transients. International Journal of Engine Research. 9:149-164.
Wen JZ, Richter H, Green WH, Howard JB, Treska M, Jardim PM, Sande JBVander.  2008.  Experimental study of catalyst nanoparticle and single walled carbon nanotube formation in a controlled premixed combustion. Journal of Materials Chemistry. 18:1561-1569.
Celnik MS, West R, Morgan N, Kraft M, Moisala A, Wen J, Green WH, Richter H.  2008.  Modelling Gas-Phase Synthesis of Single-Walled Carbon Nanotubes on Iron Catalyst Particles. Carbon. 46:422-433.
Mitsos A, Oxberry GM, Barton PI, Green WH.  2008.  Optimal Automatic Reaction and Species Elimination in Kinetic Mechanisms. Combustion & Flame. 155:118-132.
Ashcraft RW, Raman S, Green WH.  2008.  Predicted Reaction Rates of HxNyOz Intermediates in the Oxidation of Hydroxylamine by Aqueous Nitric Acid. Journal of Physical Chemistry A. 112:7577-7593.
Ogura T, Angelos JP, Green WH, Cheng WK, Kenney TE, Xu Y.  2008.  Primary Reference Fuel Behavior in a HCCI Engine Near the Low-Load Limit. SAE. 1667:2008-01.

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