Publications

Found 262 results
2007
Ashcraft RW, Raman S, Green WH.  2007.  Ab initio Aqueous Thermochemistry: Application to the Oxidation of Hydroxylamine in Nitric Acid Solution. Journal of Physical Chemistry B. 111:11968-11983.
Wen JZ, C. Goldsmith F, Ashcraft RW, Green WH.  2007.  Detailed Kinetic Modeling of Iron Nanoparticle Synthesis from Fe(CO)5. Journal of Physical Chemistry C. 111:5677-5688.
Angelos JP, Andreae MM, Green WH, Cheng WK, Kenney T, Xu Y.  2007.  Effects of Variation in Market Gasoline Properties on HCCI Load Limits. JSAE. :SAE-1859.
West RH, Beran GJO, Green WH, Kraft M.  2007.  First Principles Thermochemistry for production of TiO2 from TiCl4. Journal of Physical Chemistry A. 111:3560-3565.
Petway SV, Ismail H, Green WH, Estupin EG, Jusinski LE, Taatjes CA.  2007.  Measurements and Automated Mechanism Generation Modeling of OH Production in Photolytically-Initiated Oxidation of the Neopentyl Radical. Journal of Physical Chemistry A. 111:3891-3900.
Oluwole OO, Barton PI, Green WH.  2007.  Obtaining Accurate Solutions using Reduced Chemical Kinetic Models: A new Model Reduction method for models rigorously validated over ranges. Combustion Theory and Modelling. 11:127-146.
Green WH.  2007.  Predictive Kinetics: A New Approach for the 21st Century. Advances in Chemical Engineering. 32:1-50.
Ismail H, C. Goldsmith F, Abel PR, Howe P-T, Fahr A, Halpern JB, Jusinski LE, Georgievsk, ii Y, Taatjes CA, Green WH.  2007.  Pressure and Temperature Dependence of Reaction of Vinyl Radical (C2H3) with Ethylene. Journal of Physical Chemistry A. 111:6843-6851.
West RH, Celnik MS, Inderwildi OR, Kraft M, Beran GJO, H. William G.  2007.  Towards a Comprehensive Model of the Synthesis of TiO2 Particles from TiCl4. Industrial & Engineering Chemistry Research. 46:6147-6156.
2006
Yu J, Sumathi R., Green WH.  2006.  Accurate and Efficient Estimation Method for Predicting the Thermochemistry of Furans and ortho-Arynes – Expansion of the Bond-Centered Group Additivity Method. Journal of Physical Chemistry A. 110:6971-6977.
Van Geem K, Reyniers MFrancoise, Marin G, Song J, Matheu DM, Green WH.  2006.  Automatic Reaction Network Generation using RMG for Steam Cracking of n-Hexane. A.I.Ch.E. Journal. 52:718-730.
Ploeger JM, Green WH, Tester JW.  2006.  Co-oxidation of Methylphosphonic Acid and Ethanol in Supercritical Water. II. Elementary Reaction Rate Model. Journal of Supercritical Fluids. 39:239-245.
Singer AB, Taylor JW, Barton PI, Green WH.  2006.  Global Dynamic Optimization for Parameter Estimation in Chemical Kinetics. Journal of Physical Chemistry A. 110:971-976.
Wong H-W, Cesa MC, Golab JT, Brazdil JF, Green WH.  2006.  Kinetic Modeling to Estimate Fundamental Yield Bounds for Selective Propylene Oxidation over Bifunctional Catalysts. Applied Catalysis A. 303:177-191.
Ploeger JM, Bielenberg PA, DiNaro-Blanchard JL, Lachance RP, Taylor JD, Green WH, Tester JW.  2006.  Modeling Oxidation and Hydrolysis Reactions in Supercritical Water: Free Radical Elementary Reaction Networks and their Applications. Combustion Science and Technology. 178:363-398.
Zalc JM, Green WH, Iglesia E.  2006.  NOx-Mediated Homogeneous Pathways for Formaldehyde Synthesis from Methane-Oxygen Mixtures. Industrial & Eng. Chemistry Research. 45:2677-2688.
Oluwole OO, Bhattacharjee B, Tolsma JE, Barton PI, Green WH.  2006.  Rigorous Valid Ranges for Optimally-Reduced Kinetic Models. Combustion and Flame. 146:348-365.

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