Surftherm: A program to analyze thermochemical and kinetic data in gas-phase and surface chemical reaction mechanisms
This report documents the Surftherm program that analyzes transport coefficient, thermochemical- and kinetic rate information in complex gas-phase and surface chemical reaction mechanisms. The program is designed for use with the Chemkin (gas-phase chemistry) and Surface Chemkin (heterogeneous chemistry) programs. It was developed as a ``chemist`s companion`` in using the Chemkin packages with complex chemical reaction mechanisms. It presents in tabular form detailed information about the temperature and pressure dependence of chemical reaction rate constants and their reverse rate constants, reaction equilibrium constants, reaction thermochemistry, chemical species thermochemistry and transport properties. This report serves as a user`s manual for use of the program, explaining the required input and the output.
- Research Organization:
- Sandia National Labs., Albuquerque, NM (United States)
- Sponsoring Organization:
- USDOE, Washington, DC (United States)
- DOE Contract Number:
- AC04-94AL85000
- OSTI ID:
- 10170995
- Report Number(s):
- SAND--94-0219; ON: DE94016145; BR: GB0103012
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
400201
400800
99 GENERAL AND MISCELLANEOUS
990200
CATALYSIS
CHEMICAL AND PHYSICOCHEMICAL PROPERTIES
CHEMICAL REACTION KINETICS
CHEMICAL VAPOR DEPOSITION
COMBUSTION
COMBUSTION, PYROLYSIS, AND HIGH-TEMPERATURE CHEMISTRY
COMPUTER CODES
COMPUTER PROGRAM DOCUMENTATION
FLUID FLOW
GASES
MANUALS
MATHEMATICS AND COMPUTERS
S CODES
SURFACES