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

Abstract

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.

Authors:
; ;
Publication Date:
Research Org.:
Sandia National Lab. (SNL-CA), Livermore, CA (United States)
Sponsoring Org.:
DOE/ER
OSTI Identifier:
5681118
Report Number(s):
SAND-89-8009
ON: DE90000917
DOE Contract Number:  
AC04-76DR00789
Resource Type:
Technical Report
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; 99 GENERAL AND MISCELLANEOUS//MATHEMATICS, COMPUTING, AND INFORMATION SCIENCE; CHEMICAL REACTIONS; COMPUTERIZED SIMULATION; C CODES; CHEMICAL REACTION KINETICS; FORTRAN; MANUALS; THERMODYNAMIC PROPERTIES; COMPUTER CODES; DOCUMENT TYPES; KINETICS; PHYSICAL PROPERTIES; PROGRAMMING LANGUAGES; REACTION KINETICS; SIMULATION; 400201* - Chemical & Physicochemical Properties; 990220 - Computers, Computerized Models, & Computer Programs- (1987-1989)

Citation Formats

Kee, R. J., Rupley, F. M., and Miller, J. A.. Chemkin-II: A Fortran chemical kinetics package for the analysis of gas-phase chemical kinetics. United States: N. p., 1989. Web. doi:10.2172/5681118.
Kee, R. J., Rupley, F. M., & Miller, J. A.. Chemkin-II: A Fortran chemical kinetics package for the analysis of gas-phase chemical kinetics. United States. https://doi.org/10.2172/5681118
Kee, R. J., Rupley, F. M., and Miller, J. A.. Fri . "Chemkin-II: A Fortran chemical kinetics package for the analysis of gas-phase chemical kinetics". United States. https://doi.org/10.2172/5681118. https://www.osti.gov/servlets/purl/5681118.
@article{osti_5681118,
title = {Chemkin-II: A Fortran chemical kinetics package for the analysis of gas-phase chemical kinetics},
author = {Kee, R. J. and Rupley, F. M. and Miller, J. A.},
abstractNote = {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.},
doi = {10.2172/5681118},
url = {https://www.osti.gov/biblio/5681118}, journal = {},
number = ,
volume = ,
place = {United States},
year = {1989},
month = {9}
}