An Efficient Numerical Method for the Calculation of Chemical Equilibrium in the H/C/O/N/A System

Abstract

An efficient method is presented for calculating equilibrium chemical composition at a given pressure and stoichiometry with temperature, enthalpy, or entropy specified as the additional condition. A substantial reduction in computational time was achieved over conventional methods. Examples are given for the H2/O2 system (six equations reduced to two) and C/H2/O2/N2/Ar system (eleven equations reduced to three). A computer program is presented for solving problems with fuels which involve C and H (hydrocarbon or hydrogen) or N and H. Extension of the method to include other systems is explained in sufficient detail to eliminate the requirement for an extensive knowledge of chemistry by potential users.

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Document Details

Document Type
Technical Report
Publication Date
Apr 01, 1972
Accession Number
AD0741825

Entities

People

  • I. T. Osgerby
  • R. P. Rhodes

Organizations

  • Arnold Engineering Development Complex

Tags

Communities of Interest

  • Air Platforms
  • Materials and Manufacturing Processes

DTIC Thesaurus Topics

  • Air Force
  • Calorific Value
  • Chemical Equilibrium
  • Chemical Reactions
  • Chemistry
  • Combustion
  • Computer Programs
  • Computers
  • Engineering
  • Free Energy
  • Gases
  • Heat Of Combustion
  • Propulsion Systems
  • Specific Heat
  • Standards
  • Thermodynamic Properties
  • Thermodynamics

Readers

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