Publications

Found 262 results
2003
Song J, Sumathi R., Yu J, Wijaya CD, Stephanopoulos G, Green, Jr. WH.  2003.  Development of automatic chemical reaction mechanism generation software using object-oriented technology.
Wolf MM, Zhu H, Green WH, Jackson GS.  2003.  Kinetic Model for Polycrystalline Pd/PdOx in Oxidation/Reduction Cycles. Applied Catalysis A. 244:323-340.
Matheu DM, Dean AM, Grenda JM, Green WH.  2003.  Mechanism Generation with Integrated Pressure-Dependence: A New Model for Methane Pyrolysis. Journal of Physical Chemistry A. 107:8552-8565.
Matheu DM, Grenda JM, Saeys M, Green WH.  2003.  New, computer-discovered pathways for methane and ethane pyrolysis. Preprints of the ACS Division of Fuel Chemistry.
Bhattacharjee B, Schwer DA, Barton PI, Green, Jr WH.  2003.  Optimally-Reduced Kinetic Models: Reaction Elimination in Large-Scale Kinetic Mechanisms. Combustion & Flame. 135:191-208.
Sumathi R, Green, Jr. WH.  2003.  Oxygenate, Oxyalkyl, and Alkoxycarbonyl Thermochemistry and Rates for Hydrogen Abstraction from Oxygenates. Physical Chemistry Chemical Physics. 5:3402-3417.
Yelvington PE, Green WH.  2003.  Prediction of the Knock Limit and the Viable Operating Range for a PRF-fueled Homogeneous Charge Compression Ignition (HCCI) engine. Homogeneous Charge Compression Ignition (HCCI) Combustion. SP-1742
Lu P, Bhattacharjee B, Barton PI, Green WH.  2003.  Reduced Models for Adaptive Chemistry Simulation of Reacting Flows. Computational Fluid and Solid Mechanics: Proceedings of the Second MIT Conference on Computational Fluid and Solid Mechanics, ed.
Wong BM, Matheu DM, Green, Jr. WH.  2003.  The Temperature and Molecular Size Dependence of the High-Pressure Limit. Journal of Physical Chemistry A. 107:6206-6211.
San Su Y, Ying JY, Green, Jr. WH.  2003.  Upper Bound on the Yield for Oxidative Coupling of Methane. Journal of Catalysis. 218:321-333.
2001
Green WH, Schwer DA.  2001.  Adaptive Chemistry. Computational Fluid and Solid Mechanics: Proceedings of the First MIT Conference on Computational Fluid and Solid Mechanics. :12-15.
Green W.H, Barton P.I, Bhattacharjee B., Matheu D.M, Schwer D.A, Song J., Sumathi R., Carstensen H.H, Dean A.M, Grenda J.M.  2001.  Computer-Construction of Detailed Models for Gas-Phase Reactors. Industrial & Engineering Chemistry Research. 40:5362-5370.
Richter H, Mazyar OA, Sumathi R, Green WH, Howard JB, Bozzelli JW.  2001.  Detailed Kinetic Study of the Growth of Small Polycyclic Aromatic Hydrocarbons. I. 1-Naphthyl + Ethyne. Journal of Physical Chemistry A. 105:1561-73.
Sumathi R, Carstensen H-H, Green WH.  2001.  Jr. "Reaction Rate Prediction via Group Additivity, Part 1: H Abstraction from Alkanes by H and CH3". Journal of Physical Chemistry A. 105:6910-6925.
Matheu DM, Lada, Ii TA, Green WH, Dean AM, Grenda JM.  2001.  Rate-Based Screening of Pressure-Dependent Reaction Networks. Computer Physics Communications. 138:237-249.
Sumathi R, Carstensen H-H, Green WH.  2001.  Reaction Rate Prediction via Group Additivity, Part 2: H Abstraction from Alkenes, Alkynes, Alcohols and Acids by H atoms. Journal of Physical Chemistry A. 105:8969-8984.
Schmidt D, Wong VW, Green WH, Weiss MA, Heywood JB.  2001.  Review and Assessment of Fuel Effects and Research Needs in Clean Diesel Technology. Proceedings of the ASME Internal Combustion Engine Division Spring Technical Conference. :23-37.

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