cti files by converting Chemkin-style input files. nasa7mod.dat (410 kb) of the 7-term NASA database that is compatible with the old CHEMKIN II standard (contains all three temperatures on the first line of each set) and is useful for generating Cantera.nasa9.dat (1.07 MB) 9-term coefficients in 1996 format.nasa7.dat (360 kB) 7-term polynomial coefficients in 1971 format.“Application of the Element Potential Method to Gaseous Chemical Equilibrium.” Engineer Thesis, Pasadena, CA (USA): California Institute of Technology.ĭata files with NASA polynomial coefficients for selected species:ĭata files are available for download is several file formats. This is more complete explanation of the method including important details about the preconditioning steps for the initial guess and the dual method used for solving the constrained optimization problem to obtain the equilibrium state. “The Element Potential Method for Chemical Equilibrium Analysis: Implementation in the Interactive Program STANJAN, Version 3.” Stanford, CA: Mechanical Engineering, Stanford University. This document is for an early version of STANJAN and contains examples of hand calculations to illustrate the method. “STANJAN Interactive Computer Programs for Chemical Equilibrium Analysis.” Stanford University. Reynolds's documentation and the thesis of Wrobel provide useful background on the theory and implementation of this method. The element potential method of computing equilibrium was used in the STANJAN program developed by Prof. Users Manual and Program Description", NASA Reference Publication 1311, June 1996. Gordon, "Computer Program for Calculation of Complex Chemical Equilibrium Compositions and Applications: II. Analysis", NASA Reference Publication 1311, October 1994. McBride, "Computer Program for Calculation of Complex Chemical Equilibrium Compositions and Applications: I. The NASA CEA software based on the new file format (mix of 7 and 9-coefficient polynomial fits) is described in: Reno, "Coefficients for Calculating Thermodynamic and Transport Properties of Individual Species", NASA Report TM-4513, October 1993. Shocks and Chapman-Jouguet Detonations", NASA Report SP-273, 1971. McBride, "Computer Program for Calculation of Complex Chemical Equilibrium Composition, Rocket Performance, Incident and Reflected The NASA CEA software based on the older file format (7-coefficient polynomial fits) is described in: CAP: A computer code for generating tabular thermodynamic functions from NASA lewis coefficients. NASA Glenn coefficients for calculating thermodynamic properties of individual species. Computer program for calculating and fitting thermodynamic functions. Thermodynamic data to 20 000 k for monatomic gases. The computational methodology, molecular data and coefficients are described in the following reports: The group at NASA Glenn did the foundational work in this area to support the development of the NASA CEA chemical equilibrium software. ANL website The Active Thermochemical Tables at ANL provides values of heats of formation for many species.Ĭomputing and fitting thermodynamic properties is a research activity in its own right.This is an extensive file of 7-term polynomial coefficients available for download. DLR website Extended Third Millennium Ideal Gas and Condensed Phase Thermochemical Database for Combustion with Updates from Active Thermochemical Tables of Elke Goos, Alexander Burcat and Branko Ruscic.The thermobuild tool accessed from the periodic table interface enables creating data tables and downloading 7 and 9-term polynomial coefficients. CEA website for NASA Thermodynamic Database and Chemical Equilibrium Computation.Data available as text tables, plots and coefficients of Shomate polynomials. NIST Chemistry Webbook Searchable database for thermodynamic and molecular data.The periodic table interface enables downloading tables in printable or tab-delimited text files. Provides pdf files for species in the 4th Edition (1998) print-on-paper version of the JANAF tables. Primary sources of thermodynamic data are the NIST and NASA on-line databases: Of a species as a function of temperature. Provide the thermodynamic properties (enthalpy, entropy, and specific heat) Thermodynamic data for individual species are necessary for performing equilibrium chemistryĪnd finite-rate chemical kinetics calculations.
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