Publications

Found 324 results
2012
Magoon GR, Aguilera-Iparraguirre J, Green WH, Lutz JJ, Piecuch P, Wong H-W, Oluwole OO.  2012.  Detailed Chemical Kinetic Modeling of JP-10 (exo-tetrahydrodicyclopentadiene) High Temperature Oxidation: Exploring the Role of Biradical Species in Initial Decomposition Steps. International Journal of Chemical Kinetics. 44:179-193.
Oluwole OO, Shi Y, Wong H-W, Green WH.  2012.  An Exact-Steady-state Adaptive Chemistry method for combustion simulations: combining the efficiency of reduced models and the accuracy of the full model. Combustion & Flame. 159:2352-2362.
Wright MMba, Roman-Leshkov Y, Green WH.  2012.  Investigating the techno-economic tradeoffs of hydrogen source using a response surface model of drop-in biofuel production via bio-oil upgrading. Biofuels, Bioproducts and Biorefining. 6:503.
Gonzalez LA, Kracke P, Green WH, Tester JW, Shafer LM, Timko MT.  2012.  Oxidative Desulfurization of Middle-Distillate Fuels Using Activated Carbon and Power Ultrasound. Energy and Fuels. 26:5164.
Kislov V.V, Mebel A.M, Aguilera-Iparraguirre J, Green WH.  2012.  Reaction of Phenyl Radical with Propylene as a Possible Source of Indene and Other Polycyclic Aromatic Hydrocarbons: An Ab Initio/RRKM-ME Study. Journal of Physical Chemistry A. 116:4176-4191.
Allen JW, Green WH.  2012.  Reply to Comment on Automatic estimation of pressure-dependent rate coefficients (J.W. Allen, C. F. Goldsmith, and W. H. Green, Phys. Chem. Chem. Phys, 2012, 14, 1131-1155). Physical Chemistry Chemical Physics. 14:8434.
C. Goldsmith F, Green WH, Klippenstein SJ.  2012.  On the Role of O2 + QOOH in low-temperature ignition of propane I: Temperature and Pressure Dependent Rate Coefficients�. Journal of Physical Chemistry A. 116:3325-3346.
Couling DJ, Nguyen HV, Green WH.  2012.  Screening of Binary Alloys for Warm Temperature Capture of Elemental Mercury using Density Functional Theory. Chemical Engineering Science. 80:128-133.
Couling DJ, Nguyen HV, Green WH.  2012.  Screening of Metal Oxides and Metal Sulfides as Sorbents for Elemental Mercury at Elevated Temperatures. Fuel. 97:783-795.
2011
Couling DJ, Prakash K, Green WH.  2011.  Analysis of Membrane & Adsorbent Processes for Warm Syngas Cleanup in IGCC with CCS. Industrial & Engineering Chemistry Research. 50:11313-11336.
Harper MR, Van Geem KM, Pyl SP, Marin GB, Green WH.  2011.  Comprehensive Reaction Mechanism for n-Butanol Pyrolysis and Combustion. Combustion & Flame. 158:16-41.
D. Blaylock W, Zhu Y-A, Green WH.  2011.  Computational Investigation of the Thermochemistry and Kinetics of Steam Methane Reforming over a Multi-Faceted Nickel Catalyst. Topics in Catalysis. 54:828-844.
Hansen N, Harper MR, Green WH.  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.
West RH, C. Goldsmith F, Harper MR, Green WH, Catoire L, Chaumeix N.  2011.  Kinetic Modeling of Methyl Formate Oxidation. 7th US National Technical Meeting of the Combustion Institute, paper 1A06.
Shi Y, Green WH, Wong H-W, Oluwole OO.  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.
C. Goldsmith F, Klippenstein SJ, Green WH.  2011.  Theoretical rate coefficients for allyl + HO2 and allyloxy decomposition. Proceedings of the Combustion Institute. :273-282.
Smooke M.D, Bell J.B, Chen J.H, Colket M.B, Dunning T.H, Gannon D., Green WH, Law C.K, Livny M., Lundstrum M. et al..  2011.  Transforming Combustion Research Through Cyberinfrastructure.
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.

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