Algorithmic Calculation of Complex Gas Mixtures Equilibrium Composition

Abstract

A simple numerical algorithm is presented for the computation of the equilibrium composition of complex gas mixtures based upon the equilibrium constant approach. The algorithm uses a little-known form of the quadratic root extraction formula to solve for the equilibrium composition using a successive substitution with iteration to convergence technique. Experience with the algorithm for various complex gas mixtures has revealed excellent stability/convergence properties. Its application in computational fluid dynamics codes as a subroutine is straightforward.

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Document Details

Document Type
Technical Report
Publication Date
Jun 01, 1992
Accession Number
ADA251780

Entities

People

  • John C. Adams Jr.

Organizations

  • Arnold Engineering Development Complex

Tags

Communities of Interest

  • Energy and Power Technologies
  • Materials and Manufacturing Processes
  • Weapons Technologies

DTIC Thesaurus Topics

  • Adiabatic Flames
  • Air Force
  • Air Force Facilities
  • Algorithms
  • Chemical Equilibrium
  • Chemical Reactions
  • Combustion
  • Computational Fluid Dynamics
  • Computations
  • Computer Programs
  • Fluid Dynamics
  • Free Energy
  • High Temperature
  • Hydrocarbons
  • Low Temperature
  • Test Facilities
  • United States

Readers

  • Approximation Theory.
  • Combustion science or combustion engineering.
  • Computational Fluid Dynamics (CFD)