SOLVING THE CHEMICAL EQUILIBRIUM PROBLEM USING THE DECOMPOSITION PRINCIPLE

Abstract

The determination of the equilibrium composition of a gaseous mixture is equivalent to the determination of the number of moles of each molecular species present that minimize the total free energy of the mixture. The convex function for free energy as given by Gibbs is minimized subject to the constraints of the mass-balance equations for the mixture. A solution to the problem is given using a version of the decomposition procedure for linear programming. A mathematical description of the method of solution as well as the computational algorithm as programmed for the IBM 704 with some results are given.

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Document Details

Document Type
Technical Report
Publication Date
Aug 10, 1960
Accession Number
AD0613716

Entities

People

  • G. B. Dantzig
  • Marvin Shapiro

Organizations

  • RAND Corporation

Tags

Communities of Interest

  • C4I
  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Algorithms
  • Chemical Equilibrium
  • Computations
  • Computer Programming
  • Convex Sets
  • Corporations
  • Decomposition
  • Energy
  • Equations
  • Exponential Functions
  • Free Energy
  • Hard Copy
  • Iterations
  • Linear Programming
  • Precision
  • Simplex Method
  • Standards

Fields of Study

  • Mathematics

Readers

  • Approximation Theory.
  • Mathematical Modeling and Probability Theory.
  • Organic Chemistry