ANALYSIS AND DESCRIPTION OF AN IBM 7090/94 PROGRAM TO COMPUTE EQUILIBRIUM CONDITIONS FOR GASEOUS CHEMISTRY SYSTEMS

Abstract

The program is based on the minimization of the Gibbs free energy of the system; the resulting non-linear equations are solved by a modified Newton- Raphson iteration scheme. The three options presently available for the two intensive variables necessary for the calculation of the equilibrium composition are pressure-temperature, pressure-enthalpy and pressure-entropy, although other options for any two intensive variables may be readily added. A 'program generator' that produces the source program cards in FORTRAN IV of the equilibrium program for a specific chemistry system was also written. In the process of generating the source program, the generator extracts from a library magnetic tape the necessary curve fits for the species enthalpy and entropy as functions of temperature for the specified chemistry system. This resulting source program may be utilized as a subroutine to serve the needs of each particular application.

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Document Details

Document Type
Technical Report
Publication Date
Dec 14, 1966
Accession Number
AD0644898

Entities

People

  • Herbert H. Hopf

Tags

Communities of Interest

  • C4I
  • Energy and Power Technologies
  • Weapons Technologies

DTIC Thesaurus Topics

  • Atmospheres
  • Boundary Layer
  • Chemistry
  • Computer Programs
  • Computers
  • Convergence
  • Energy
  • Enthalpy
  • Equations
  • Free Energy
  • Generators
  • Iterations
  • Magnetic Tape
  • Mathematical Analysis
  • Procedures (Computers)
  • Tapes
  • Thermodynamic Properties

Readers

  • Combustion science or combustion engineering.
  • Finite Element Method (FEM) for solving Partial Differential Equations (PDEs)
  • Systems Analysis and Design