Found 324 results
Predictive Kinetics: A New Approach for the 21st Century. Advances in Chemical Engineering. 32:1-50.. 2007.
Pressure and Temperature Dependence of Reaction of Vinyl Radical (C2H3) with Ethylene. Journal of Physical Chemistry A. 111:6843-6851.. 2007.
Towards a Comprehensive Model of the Synthesis of TiO2 Particles from TiCl4. Industrial & Engineering Chemistry Research. 46:6147-6156.. 2007.
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.. 2006.
Automatic Reaction Network Generation using RMG for Steam Cracking of n-Hexane. A.I.Ch.E. Journal. 52:718-730.. 2006.
Co-oxidation of Methylphosphonic Acid and Ethanol in Supercritical Water. II. Elementary Reaction Rate Model. Journal of Supercritical Fluids. 39:239-245.. 2006.
Global Dynamic Optimization for Parameter Estimation in Chemical Kinetics. Journal of Physical Chemistry A. 110:971-976.. 2006.
Kinetic Modeling to Estimate Fundamental Yield Bounds for Selective Propylene Oxidation over Bifunctional Catalysts. Applied Catalysis A. 303:177-191.. 2006.
Modeling Oxidation and Hydrolysis Reactions in Supercritical Water: Free Radical Elementary Reaction Networks and their Applications. Combustion Science and Technology. 178:363-398.. 2006.
NOx-Mediated Homogeneous Pathways for Formaldehyde Synthesis from Methane-Oxygen Mixtures. Industrial & Eng. Chemistry Research. 45:2677-2688.. 2006.
Rigorous Valid Ranges for Optimally-Reduced Kinetic Models. Combustion and Flame. 146:348-365.. 2006.
A Collaborative Informatics Infrastructure for Multi-Scale Science. Cluster Computing. 8:243-253.. 2005.
Detailed Modeling of PAH and Soot Formation in a Laminar Premixed Benzene/Oxygen/Argon Low-Pressure Flame. Proceedings of the Combustion Institute. 30:1397-1405.. 2005.
Development of the RIOT Web Service and Information Technologies to Enable Mechanism Reduction for HCCI Simulations� Journal of Physics: Conference Series 16. :107-112.. 2005.
Effects of Large-Amplitude Torsions on Partition Functions: Beyond the Conventional Separability Assumption. Molecular Physics. 103:1027-1034.. 2005.
The Electrostatic Origin of Abrahams Solute Polarity Parameter. Journal of Physical Chemistry B. 109:7564-7573.. 2005.
Global Solution of Semi-infinite Programs. Mathematical Programming (Series B). 103:283-307.. 2005.
Interval Methods for Semi-Infinite Programs. Computational Optimization and Applications. 30:63-93.. 2005.
A Modeling Investigation into the Optimal Intake and Exhaust Valve Event Duration and Timing for a Homogeneous Charge Compression Ignition Engine. SAE. 3746:2005-01.. 2005.
New Approaches for Collaborative Sharing of Chemical Model Data and Analysis Tools. Proceedings of the Joint Meeting of the U.S. Sections of the Combustion Institute.. 2005.
New Data Model and Advanced Algorithms for Predicting Chemical Kinetics. Proceedings of the World Congress of Chemical Engineering.. 2005.
Rigorous Error Control in Reacting Flow Simulations Using Reduced Chemistry Models. Computational Fluid and Solid Mechanics: Proceedings of the Third MIT Conference on Computational Fluid and Solid Mechanics. :787-791.. 2005.
A Theoretical and Experimental Kinetic Study of Phenyl Radical Addition to Butadiene. Proceedings of the Combustion Institute 30(1. :1049-1056.. 2005.
Ab initio modeling of Organophosphorus Combustion Chemistry. Physical Chemistry Chemical Physics. 6:4296-4309.. 2004.
Accurate and Efficient Method for Predicting Thermochemistry of Polycyclic Aromatic Hydrocarbons. Journal of the American Chemical Society. 126:12685-12700.. 2004.