Computer program for calculating and fitting thermodynamic functions
- Author:
- Gordon, Sanford
- Published:
- Nov 1, 1992.
- Physical Description:
- 1 electronic document
- Additional Creators:
- Mcbride, Bonnie J.
Online Version
- hdl.handle.net , Connect to this object online.
- Restrictions on Access:
- Unclassified, Unlimited, Publicly available.
Free-to-read Unrestricted online access - Summary:
- A 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.
- Other Subject(s):
- Collection:
- NASA Technical Reports Server (NTRS) Collection.
- Note:
- Document ID: 19930003779.
Accession ID: 93N12967.
NAS 1.61:1271.
NASA-RP-1271.
E-5894. - Terms of Use and Reproduction:
- No Copyright.
View MARC record | catkey: 15673833