Publications
Found 332 results
Optimally-Reduced Kinetic Models: Reaction Elimination in Large-Scale Kinetic Mechanisms. Combustion & Flame. 135:191-208.
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2003. Oxygenate, Oxyalkyl, and Alkoxycarbonyl Thermochemistry and Rates for Hydrogen Abstraction from Oxygenates. Physical Chemistry Chemical Physics. 5:3402-3417.
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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
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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.
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2003. The Temperature and Molecular Size Dependence of the High-Pressure Limit. Journal of Physical Chemistry A. 107:6206-6211.
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2003. Upper Bound on the Yield for Oxidative Coupling of Methane. Journal of Catalysis. 218:321-333.
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2003. Building and screening pressure-dependent reactions for large, gas-phase chemical mechanisms. Preprints of the ACS Division of Petroleum Chemistry.
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2002. JThermodynamic Properties of Ketenes: Group Additivity Values from Quantum Chemical Calculations. Journal of Physical Chemistry A. 106:7937-7949.
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2002. Missing thermochemical groups for large unsaturated hydrocarbons: Contrasting predictions of G2 and CBS-Q. Journal of Physical Chemistry A. 106:11141-11149.
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2002. A priori Rate Constants for Kinetic Modeling. Theoretical Chemistry Accounts. 108:187-213.
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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.
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2002. On Upgrading the Numerics in Combustion Chemistry Codes. Combustion and Flame. 128:270-291.
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2002. Valid Parameter Range Analyses for Chemical Reaction Kinetic Models. Chemical Engineering Science. 57:4475.
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2002. Water-based Magnetic Fluids as Extractants for Synthetic Organic Compounds. Industrial & Engineering Chemistry Research. 41:4739-4749.
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2002. Adaptive Chemistry. Computational Fluid and Solid Mechanics: Proceedings of the First MIT Conference on Computational Fluid and Solid Mechanics. :12-15.
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2001. Computer-Construction of Detailed Models for Gas-Phase Reactors. Industrial & Engineering Chemistry Research. 40:5362-5370.
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2001. Detailed Kinetic Study of the Growth of Small Polycyclic Aromatic Hydrocarbons. I. 1-Naphthyl + Ethyne. Journal of Physical Chemistry A. 105:1561-73.
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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.
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2001. Rate-Based Screening of Pressure-Dependent Reaction Networks. Computer Physics Communications. 138:237-249.
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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.
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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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2001. Split-Operator Methods for Computing Steady-State Reacting Flow-fields. Proceedings of the 15th AIAA Computational Fluid Dynamics Conference. :11-14.
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2001. Analysis of an Elementary Reaction Mechanism for Benzene Oxidation in Supercritical Water. Proceedings of the Combustion Institute. :1529-36.
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2000. Computer Constructed Models for Complex Chemical Kinetics. Preprints of the ACS Division of Environmental Chemistry.
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2000. Computer-Aided Construction of Combustion Chemistry Models. Preprints of the ACS Division of Fuel Chemistry. 45:270-272.
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