The Numerical Solution Of The Chemical Equilibrium Problem
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Date
1965-01
Authors
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Journal ISSN
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Publisher
Rand Corporation
Abstract
Description
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.
Keywords
Numerical Solution, Chemical Equilibrium