A Generalized Technique For Eliminating Species In Complex Chemical Equilibrium Calculations

Journal Title
Journal ISSN
Volume Title
Rand Corporation
This Memorandum is one in a continuing series of RAND publications dealing with theoretical and computational questions which have arisen in connection with the RAND program of research on rocket fuels and propellents and in biology and physiology. It details a method by which a multi- or single-phase chemical equilibrium problem with a large number of different chemical species can be replaced by one with relatively few species. The purpose of this research is to find methods for transforming complex problems into problems which are more amenable to numerical solution. This Memorandum is concerned with a technique first developed in an earlier Paper, On the Reduction of Certain Multiplicative Chemical Equilibrium Systems to Mathematically Equivalent Additive Systems, P-2419, by G. B. Dantzig and J. C. DeHaven. The present Memorandum generalizes the technique to systems more complex than those to which the technique of the earlier paper is readily applicable. The basic approach of the previous paper is described briefly, but the reader should be familiar with P-2419 for certain explanatory and illustrative material which has not been included in the present paper.
Generalized Technique, Eliminating Species, Chemical Equilibrium, Calculations