COMPUTING EQUILIBRIUM COMPOSITIONS OF IDEAL CHEMICAL SYSTEMS
STANFORD UNIV CA OPERATIONS RESEARCH HOUSE
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Six iterative methods are given for solving the chemical equilibrium problem, four primal and two dual. In chemical terms, each composition produced by a primal method satisfies the mass-balance laws while successive iterates more nearly satisfy the mass-action laws. Dual methods do the reverse. Also presented are two formulations of the chemical equilibrium problem as a more general linear-logarithmic problem, and two methods for solving the general problem. Of the four resulting primal methods, two the Linear methods need not converge to an optimal solution. The other two the Quadratic methods if applied to an appropriately modified chemical equilibrium problem, will certainly converge.
- Physical Chemistry