Solving the chemical equilibrium problem using the decomposition principle.

by George Bernard Dantzig, Martin F. Shapiro


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A study concerned with obtaining the equilibrium composition of a gaseous mixture that is equivalent to determining 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 of the problem is presented, using a version of the decomposition procedure for linear programming. The paper describes mathematically the method of solution, the computational algorithm as programmed for the IBM 704, and the results.

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