MASS ACTION LAWS AND THE GIBBS FREE ENERGY FUNCTION

Abstract

Recent progress in computational techniques for the analysis of complex chemical systems has renewed interest in the relationship between the mass action laws, which have been traditionally employed for the computation of chemical equilibrium compositions, and the Gibbs free energy function, which until recently has generally been used only for theoretical purposes. Several attendant mathematical questions, hitherto unresolved, have now become important. These concern the existence and uniqueness of a solution to the equations arising from the mass action laws; the existence and uniqueness of a composition that minimizes the free energy; and the precise relationship between the two. In Part 1, the problems are formulated, both from the mathematical and chemical viewpoints. In Part 2, mathematical tools unavailable in Gibbs' time are employed in an attempt to answer the questions posed. Some applications of the results are given in the concluding section for illustrative purposes.

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Document Details

Document Type
Technical Report
Publication Date
Sep 01, 1964
Accession Number
AD0605919

Entities

People

  • Lloyd Shapley
  • N. Z. Shapiro

Organizations

  • RAND Corporation

Tags

Communities of Interest

  • Energy and Power Technologies
  • Materials and Manufacturing Processes

DTIC Thesaurus Topics

  • Air Force
  • Chemical Equilibrium
  • Chemical Reactions
  • Computations
  • Convex Sets
  • Equations
  • Fluids
  • Free Energy
  • Linear Algebra
  • Liquid Phases
  • Liquids
  • Mathematical Analysis
  • Numbers
  • Real Numbers
  • Simultaneous Equations
  • Theorems
  • United States

Fields of Study

  • Mathematics

Readers

  • Materials Science and Engineering.
  • Theoretical Analysis.