Computer Program for Calculation of Complex Chemical Equilibrium Compositions and Applications. Part 1: Analysis

Download or read book Computer Program for Calculation of Complex Chemical Equilibrium Compositions and Applications. Part 1: Analysis written by National Aeronautics and Space Adm Nasa and published by Independently Published. This book was released on 2018-11-03 with total page 66 pages. Available in PDF, EPUB and Kindle. Book excerpt: This 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. Gordon, Sanford and Mcbride, Bonnie J. Glenn Research Center...