Found 324 results
Direct Measurement of the Fast Reversible Addition of Oxygen to Cyclohexadienyl Radicals in Nonpolar Solvents. Journal of Physical Chemistry A. 108:7193-7203.. 2004.
The Electrostatic Origin of Abrahams Solute Polarity Parameter. Preprints of the ACS Division of Environmental Chemistry.. 2004.
Elementary Reaction Rate Model for MPA Oxidation in Supercritical Water. Physical Chemistry Chemical Physics. 6:4310-4320.. 2004.
Global Solution of Semi-Infinite Programs. Proceedings of the European Symposium on Computer-Aided Process Engineering (ESCAPE-14).. 2004.
High Gradient Magnetic Separation of Coated Magnetic Nanoparticles. A.I.Ch.E. Journal. 50:2835-2848.. 2004.
Predicting Chemical Kinetics with Computational Chemistry: Is QOOH = HOQO Important in Fuel Ignition? Molecular Physics. 102:371.. 2004.
Prediction of performance maps for homogeneous-charge compression-ignition engines. Combustion Science & Technology. 176:1243-1282.. 2004.
An Adaptive Chemistry Approach to Modeling Complex Kinetics in Reacting Flows. Combustion & Flame. 133:451-465.. 2003.
Application of Computational Kinetic Mechanism Generation to Model the Autocatalytic Pyrolysis of Methane. Industrial & Engineering Chemistry Research. 42:1000-1010.. 2003.
Capturing Pressure-Dependence in Automated Mechanism Generation: Reactions Through Cycloalkyl Intermediates. International Journal of Chemical Kinetics. 35:95-119.. 2003.
A Consistent-Splitting Approach to Computing Stiff Steady-State Reacting Flows with Adaptive Chemistry. Combustion Theory and Modelling. 7:383-399.. 2003.
Cyclic Ether Formation from Hydroperoxyalkyl Radicals (QOOH). Journal of Physical Chemistry A. 107:4908-4920.. 2003.
Development of automatic chemical reaction mechanism generation software using object-oriented technology.. 2003.
Kinetic Model for Polycrystalline Pd/PdOx in Oxidation/Reduction Cycles. Applied Catalysis A. 244:323-340.. 2003.
Mechanism Generation with Integrated Pressure-Dependence: A New Model for Methane Pyrolysis. Journal of Physical Chemistry A. 107:8552-8565.. 2003.
New, computer-discovered pathways for methane and ethane pyrolysis. Preprints of the ACS Division of Fuel Chemistry.. 2003.
Optimally-Reduced Kinetic Models: Reaction Elimination in Large-Scale Kinetic Mechanisms. Combustion & Flame. 135:191-208.. 2003.
Oxygenate, Oxyalkyl, and Alkoxycarbonyl Thermochemistry and Rates for Hydrogen Abstraction from Oxygenates. Physical Chemistry Chemical Physics. 5:3402-3417.. 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. 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.. 2003.
The Temperature and Molecular Size Dependence of the High-Pressure Limit. Journal of Physical Chemistry A. 107:6206-6211.. 2003.
Upper Bound on the Yield for Oxidative Coupling of Methane. Journal of Catalysis. 218:321-333.. 2003.
Building and screening pressure-dependent reactions for large, gas-phase chemical mechanisms. Preprints of the ACS Division of Petroleum Chemistry.. 2002.
JThermodynamic Properties of Ketenes: Group Additivity Values from Quantum Chemical Calculations. Journal of Physical Chemistry A. 106:7937-7949.. 2002.