Publications

Found 12 results
Filters: Author is William H. Green, Jr.  [Clear All Filters]
2003
Schwer DA, Lu P, Green, Jr. WH.  2003.  An Adaptive Chemistry Approach to Modeling Complex Kinetics in Reacting Flows. Combustion & Flame. 133:451-465.
Grenda JM, Androulakis IP, Dean AM, Green, Jr. WH.  2003.  Application of Computational Kinetic Mechanism Generation to Model the Autocatalytic Pyrolysis of Methane. Industrial & Engineering Chemistry Research. 42:1000-1010.
Wijaya CD, Sumathi R, Green, Jr. WH.  2003.  Cyclic Ether Formation from Hydroperoxyalkyl Radicals (QOOH). Journal of Physical Chemistry A. 107:4908-4920.
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.
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.
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.
2002
Sumathi R, Green, Jr. WH.  2002.  JThermodynamic Properties of Ketenes: Group Additivity Values from Quantum Chemical Calculations. Journal of Physical Chemistry A. 106:7937-7949.
Sumathi R, Green, Jr. WH.  2002.  Missing thermochemical groups for large unsaturated hydrocarbons: Contrasting predictions of G2 and CBS-Q. Journal of Physical Chemistry A. 106:11141-11149.
Sumathi R, Green, Jr. WH.  2002.  A priori Rate Constants for Kinetic Modeling. Theoretical Chemistry Accounts. 108:187-213.
Sumathi R, Carstensen H-H, Green, Jr. WH.  2002.  Reaction Rate Prediction via Group Additivity Part 3: Effect of Substituents with CH2 as the Mediator. Journal of Physical Chemistry A. 106:5474-5489.
Song J, Stephanopoulos G, Green, Jr. WH.  2002.  Valid Parameter Range Analyses for Chemical Reaction Kinetic Models. Chemical Engineering Science. 57:4475.