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Computer program for calculation of complex chemical equilibrium compositions and applications. Part 1: AnalysisThis report presents the latest in a number of versions of chemical equilibrium and applications programs developed at the NASA Lewis Research Center over more than 40 years. These programs have changed over the years to include additional features and improved calculation techniques and to take advantage of constantly improving computer capabilities. The minimization-of-free-energy approach to chemical equilibrium calculations has been used in all versions of the program since 1967. The two principal purposes of this report are presented in two parts. The first purpose, which is accomplished here in part 1, is to present in detail a number of topics of general interest in complex equilibrium calculations. These topics include mathematical analyses and techniques for obtaining chemical equilibrium; formulas for obtaining thermodynamic and transport mixture properties and thermodynamic derivatives; criteria for inclusion of condensed phases; calculations at a triple point; inclusion of ionized species; and various applications, such as constant-pressure or constant-volume combustion, rocket performance based on either a finite- or infinite-chamber-area model, shock wave calculations, and Chapman-Jouguet detonations. The second purpose of this report, to facilitate the use of the computer code, is accomplished in part 2, entitled 'Users Manual and Program Description'. Various aspects of the computer code are discussed, and a number of examples are given to illustrate its versatility.
Document ID
19950013764
Document Type
Other - NASA Reference Publication (RP)
Authors
Gordon, Sanford (NASA Lewis Research Center Cleveland, OH, United States)
Mcbride, Bonnie J. (NASA Lewis Research Center Cleveland, OH, United States)
Date Acquired
September 6, 2013
Publication Date
October 1, 1994
Subject Category
INORGANIC AND PHYSICAL CHEMISTRY
Report/Patent Number
NAS 1.61:1311
NASA-RP-1311
E-8017
Distribution Limits
Public
Copyright
Work of the US Gov. Public Use Permitted.

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