Chemkin-II: A Fortran chemical kinetics package for the analysis of gas-phase chemical kinetics

Technical Report · Fri Sep 01 04:00:00 EDT 1989

DOI:https://doi.org/10.2172/5681118· OSTI ID:5681118

Kee, R. J.; Rupley, F. M.; Miller, J. A.

This document is the user's manual for the second-generation Chemkin package. Chemkin is a software package for whose purpose is to facilitate the formation, solution, and interpretation of problems involving elementary gas-phase chemical kinetics. It provides an especially flexible and powerful tool for incorporating complex chemical kinetics into simulations of fluid dynamics. The package consists of two major software components: an Interpreter and Gas-Phase Subroutine Library. The Interpreter is a program that reads a symbolic description of an elementary, user-specified chemical reaction mechanism. One output from the Interpreter is a data file that forms a link to the Gas-Phase Subroutine Library. This library is a collection of about 100 highly modular Fortran subroutines that may be called to return information on equation of state, thermodynamic properties, and chemical production rates.

• Research Organization: Sandia National Labs., Livermore, CA (USA)
• Sponsoring Organization: DOE/ER
• DOE Contract Number: AC04-76DR00789
• OSTI ID: 5681118
• Report Number(s): SAND-89-8009; ON: DE90000917
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
99 GENERAL AND MISCELLANEOUS
990220 -- Computers
Computerized Models
& Computer Programs-- (1987-1989)
C CODES
CHEMICAL REACTION KINETICS
CHEMICAL REACTIONS
COMPUTER CODES
COMPUTERIZED SIMULATION
DOCUMENT TYPES
FORTRAN
KINETICS
MANUALS
PHYSICAL PROPERTIES
PROGRAMMING LANGUAGES
REACTION KINETICS
SIMULATION
THERMODYNAMIC PROPERTIES