Click on any of the links below to locate data files tailored for specific industry processes.
Hydrocarbon oxidation/pyrolysis
This data file provides thermochemistry for gas-phase species involved in the combustion or pyrolysis of
hydrocarbons and may be imported into Chemkin for EQUIL thermodynamics calculations or as part of a
kinetic mechanism. Compounds include methane, methanol, ethane, ethylene, ethylene oxide (oxirane),
acetic acid, ethanol, acetone, propylene, propane, propanol, butane, butane, cylcohexane, benzene,
as well as many radicals and intermediates. NOx species are not included, but can be added from the
Chemkin Thermodynamic Database. 163 species total.
Silane oxidation
This file includes 49 gas-phase species needed to model the oxidation of silane and may be imported into Chemkin
for EQUIL thermodynamics calculations or as part of a kinetic mechanism.
References: 1. Ho, P.; Melius, C. F. J. Phys. Chem. 1990, 94, 5120.
2. Allendorf, M. D.; Melius, C. F.; Ho, P.; Zachariah, M. R. J. Phys. Chem. 1995, 15285.
Silane pyrolysis
This file includes 46 gas-phase species needed to model silicon deposition and other processes involving silane,
disilane, and chlorinated silanes.
References: 1. Ho, P.; Melius, C. F. J. Phys. Chem. 1990, 94, 5120.
2. M. D. Allendorf, C. F. Melius J. Phys. Chem. 1993, 97, 720.
3. P. Ho, M. E. Coltrin, J. S. Binkley, C. F. Melius J. Phys. Chem 1986 90, 3399.
Diborane oxidation
This file includes 26 gas-phase species needed to model oxidation of diborane and other processes involving boranes.
Reference: Allendorf, M. D.; Melius, C. F. J. Phys. Chem. A 1997, 101, 2670.
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