Found 324 results
Detailed Chemical Kinetic Modeling of JP-10 (exo-tetrahydrodicyclopentadiene) High Temperature Oxidation: Exploring the Role of Biradical Species in Initial Decomposition Steps. International Journal of Chemical Kinetics. 44:179-193.. 2012.
An Exact-Steady-state Adaptive Chemistry method for combustion simulations: combining the efficiency of reduced models and the accuracy of the full model. Combustion & Flame. 159:2352-2362.. 2012.
Investigating the techno-economic tradeoffs of hydrogen source using a response surface model of drop-in biofuel production via bio-oil upgrading. Biofuels, Bioproducts and Biorefining. 6:503.. 2012.
Oxidative Desulfurization of Middle-Distillate Fuels Using Activated Carbon and Power Ultrasound. Energy and Fuels. 26:5164.. 2012.
Reaction of Phenyl Radical with Propylene as a Possible Source of Indene and Other Polycyclic Aromatic Hydrocarbons: An Ab Initio/RRKM-ME Study. Journal of Physical Chemistry A. 116:4176-4191.. 2012.
Reply to Comment on Automatic estimation of pressure-dependent rate coefficients (J.W. Allen, C. F. Goldsmith, and W. H. Green, Phys. Chem. Chem. Phys, 2012, 14, 1131-1155). Physical Chemistry Chemical Physics. 14:8434.. 2012.
On the Role of O2 + QOOH in low-temperature ignition of propane I: Temperature and Pressure Dependent Rate Coefficients�. Journal of Physical Chemistry A. 116:3325-3346.. 2012.
Screening of Binary Alloys for Warm Temperature Capture of Elemental Mercury using Density Functional Theory. Chemical Engineering Science. 80:128-133.. 2012.
Analysis of Membrane & Adsorbent Processes for Warm Syngas Cleanup in IGCC with CCS. Industrial & Engineering Chemistry Research. 50:11313-11336.. 2011.
Comprehensive Reaction Mechanism for n-Butanol Pyrolysis and Combustion. Combustion & Flame. 158:16-41.. 2011.
Computational Investigation of the Thermochemistry and Kinetics of Steam Methane Reforming over a Multi-Faceted Nickel Catalyst. Topics in Catalysis. 54:828-844.. 2011.
High-Temperature Oxidation Chemistry of n-butanol: Experiments in Low-Pressure Pre-Mixed Flames and Detailed Modeling. Physical Chemistry Chemical Physics. 13:20262-20274.. 2011.
Kinetic Modeling of Methyl Formate Oxidation. 7th US National Technical Meeting of the Combustion Institute, paper 1A06.. 2011.
Redesigning Combustion Modeling Algorithms for the Graphics Processing Unit (GPU): Chemical Kinetic Rate Evaluation and Ordinary Differential Equation Integration. Combustion & Flame. 158:836-847.. 2011.
Theoretical rate coefficients for allyl + HO2 and allyloxy decomposition. Proceedings of the Combustion Institute. :273-282.. 2011.
Ab initio Screening of Metal Sorbents for Elemental Mercury Capture in Syngas Streams. Chemical Engineering Science. 65:3025-3033.. 2010.
Accurate Reaction Networks for Alternative Fuels: Butanol Isomers. Industrial & Engineering Chemistry Research. 49:10399-10420.. 2010.
Dynamic Spatial and Temporal Allocation of Reduced Chemical Kinetics Models in Combustion Computational Fluid Dynamics Simulations. 46th AIAA/ASME/SAE/ASEE Joint Propulsion Conference. :6827.. 2010.
Intramolecular Hydrogen Migration in Alkylperoxy and Hydroperoxy-alkylperoxy Radicals: Accurate Treatment of Hindered Rotors. Journal of Physical Chemistry A. 114:5689-5701.. 2010.
Modeling of 1-hexadiene, 2,4-hexadiene and 1,4-hexadiene doped methane flames: Flame modeling, Benzene and Styrene formation. Combustion & Flame. 157:1331-1345.. 2010.
Predicting Solvation Energies for Kinetic Modeling. Annual Reports on the Progress of Chemistry Section C. 106:1-49.. 2010.
The Underlying Physics and Chemistry Behind Fuel Sensitivity. SAE International Journal of Fuels and Lubricants. 3:256-265.. 2010.
Updating Our Understanding of JP-10 Decomposition Chemistry: A Detailed JP-10 Combustion Mechanism Constructed Using RMG an Automatic Reaction Mechanism Generator. 46th AIAA/ASME/SAE/ASEE Joint Propulsion Conference. :2010-6825.. 2010.