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computer program for calculating and fitting thermodynamic functionsA computer program is described which (1) calculates thermodynamic functions (heat capacity, enthalpy, entropy, and free energy) for several optional forms of the partition function, (2) fits these functions to empirical equations by means of a least-squares fit, and (3) calculates, as a function of temperture, heats of formation and equilibrium constants. The program provides several methods for calculating ideal gas properties. For monatomic gases, three methods are given which differ in the technique used for truncating the partition function. For diatomic and polyatomic molecules, five methods are given which differ in the corrections to the rigid-rotator harmonic-oscillator approximation. A method for estimating thermodynamic functions for some species is also given.
Document ID
19930003779
Document Type
Other - NASA Reference Publication (RP)
Authors
Mcbride, Bonnie J.
(NASA Lewis Research Center Cleveland, OH, United States)
Gordon, Sanford
(Gordon, Sanford, Cleveland OH , United States)
Date Acquired
September 6, 2013
Publication Date
November 1, 1992
Subject Category
THERMODYNAMICS AND STATISTICAL PHYSICS
Report/Patent Number
E-5894
NAS 1.61:1271
NASA-RP-1271
Funding Number(s)
PROJECT: RTOP 505-62-52
CONTRACT_GRANT: NAS3-25266
Distribution Limits
Public
Copyright
Work of the US Gov. Public Use Permitted.

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