Found 262 results
Modelling Gas-Phase Synthesis of Single-Walled Carbon Nanotubes on Iron Catalyst Particles. Carbon. 46:422-433.. 2008.
Optimal Automatic Reaction and Species Elimination in Kinetic Mechanisms. Combustion & Flame. 155:118-132.. 2008.
Predicted Reaction Rates of HxNyOz Intermediates in the Oxidation of Hydroxylamine by Aqueous Nitric Acid. Journal of Physical Chemistry A. 112:7577-7593.. 2008.
Primary Reference Fuel Behavior in a HCCI Engine Near the Low-Load Limit. SAE. 1667:2008-01.. 2008.
Pulling it all Together: Fuel chemistry modeling across the scales from individual molecules to engine simulations.. 2008.
Thermochemical Properties and Group Values for Nitrogen-Containing Molecules. Journal of Physical Chemistry A.. 112:9144-52.. 2008.
Ab initio Aqueous Thermochemistry: Application to the Oxidation of Hydroxylamine in Nitric Acid Solution. Journal of Physical Chemistry B. 111:11968-11983.. 2007.
Detailed Kinetic Modeling of Iron Nanoparticle Synthesis from Fe(CO)5. Journal of Physical Chemistry C. 111:5677-5688.. 2007.
Effects of Variation in Market Gasoline Properties on HCCI Load Limits. JSAE. :SAE-1859.. 2007.
First Principles Thermochemistry for production of TiO2 from TiCl4. Journal of Physical Chemistry A. 111:3560-3565.. 2007.
Measurements and Automated Mechanism Generation Modeling of OH Production in Photolytically-Initiated Oxidation of the Neopentyl Radical. Journal of Physical Chemistry A. 111:3891-3900.. 2007.
Obtaining Accurate Solutions using Reduced Chemical Kinetic Models: A new Model Reduction method for models rigorously validated over ranges. Combustion Theory and Modelling. 11:127-146.. 2007.
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.