SOLVING THE CHEMICAL EQUILIBRIUM PROBLEM USING THE DECOMPOSITION PRINCIPLE
RAND CORP SANTA MONICA CA
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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.
- Physical Chemistry
- Computer Programming and Software