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COMSOL Reaction Engineering Lab®

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Downloadable mechanism, thermodynamic and transport files

• Combustion Research Centre, National University of Ireland A collection of oxidation mechanisms, for example hydrogen, biomass and natural gas.
• The GRI-Mech Homepage The GRI mechanism for natural gas combustion (version 3.0).
• Lawrence Livermore National Laboratory (LLNL) Mechanisms, thermodynamic and transport data for the combustion of long and short hydrocarbons and organophosphorus compounds.
• University of Leeds and the Eötvös University, Budapest Mechanisms for the oxidation of methane, nitrogen and sulphur. Also contains many useful links.
• Explosive Dynamics Laboratory, California Institute of Technology A fairly large collection of combustion mechanisms as well as the thermodynamic database of CHEMKIN II.
• Combustion Research, Massachusetts Institute of Technology (MIT) Mechanisms, thermodynamic and transport data for the modeling of acetylene, ethylene and benzene combustion, as well as for soot formation.
• Combustion and Materials Chemistry, Åbo Akademi A detailed mechanism for the combustion of biomass.
• A.A. Konnov’s reaction mechanism Mechanisms, thermodynamic and transport data for modeling the combustion of small hydrocarbons.
• Combustion and Energy Department, Princeton University Database resources for the modeling of hydrocarbon and halogenated hydrocarbon oxidation.
• The Combustion Laboratory, University of Southern California Mechanisms, thermodynamic and transport data for modeling the combustion of gasoline constituents.
• Engine Research Center (ERC), University of Wisconsin A reduced reaction mechanism and thermodynamic data for the combustion of n-heptane.

Other data resources

• The Jet Propulsion Laboratory, California Institute of Technology and NASA Resource for kinetic and photochemical data relevant for atmospheric studies (files in *.pdf format).
• Laboratoire de Combustion et Systémes Rèactifs LCSR-CNRS, Orléans A database of kinetic parameters related to the reactions of oxygenated VOCs.
• The International Union of Pure Applied Chemistry (IUPAC) An extensive database with kinetic parameters related to atmospheric chemistry (files in *.pdf format).
• NASA Ames Integrated Product Team on Devices and Nanotechnology A thermodynamic database for ions and radicals important in microelectronics manufacturing.
• The National Institute of Standards and Technology (NIST) Chemistry Web Book. http://webbook.nist.gov/chemistry/ Vast on-line database with sections detailing kinetic and thermodynamic data
• Sandia National Labs Thermodynamics resource A resource containing thermodynamic data for both gas and the condensed phase.