THE CHEMICAL EQUILIBRIUM PROBLEM: AN APPLICATION OF SUMT
RESEARCH ANALYSIS CORP MCLEAN VA
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The equilibrium composition of homogeneous chemical reactions is a very important problem in studies of complex systems that arise in the study of certain physiological systems, rocket propulsion, reentry problems, etc. The aim of this report is to show that the sequential unconstrained minimization technique SUMT as exploited by Fiacco and McCormick is capable of solving this problem and indeed offers distinct advantages over the heretofore best available computational techniques. The power of this method for solving moderate-sized problems is illustrated by the choice of a 45-variable problem with 16 linear equality constraints.
- Physical Chemistry
- Theoretical Mathematics