THE NUMERICAL SOLUTION OF THE CHEMICAL EQUILIBRIUM PROBLEM

This Memorandum is one in a continuing series of RAND publications dealing with theoretical computational questions arising from the RAND program of research in biology and physiology. The Memorandum contributes to our ability to apply computer technology to the analysis of complex chemical systems by considering the "chemical equilibrium problem," the problem of determining the distribution of chemical species that minimizes the free energy of a system while conserving the mass of each of the chemical elements. Solutions to the chemical equilibrium problem published up to this time [4,5) apply to those problems for which an estimate of the solution exists. This Memorandum considers a problem for which no estimated solution exists and solves that problem with the maximum precision now available. The mathematical aspects of this Memorandurn should also be of interest in other fields where computational analyses of complex chemical systems are under consideration, e.g., in studies of rocket propulsion systems,planetary atmospheres, re-entry problems, etc.