Chemist-The Rand Chemical Equilbrium Program

DeLand, E.C.
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Rand Corporation
This Memorandum is essentially a manual for the use of CHEMIST, a computer program used to simulate complex chemical equilibria. CHEMIST has been used to make mathematical models of simple chemical systems (e.g., bicarbonate system in water solution), organic systems (e.g., the ionization of serum albumin), viable biological systems (e.g., blood chemistry, electrolyte and fluid distribution in the "whole body," function of the kidney), and inorganic systems at non-standard pressures and temperatures (e.g., planet atmospheres, rocket exhausts, graphite-carbon vapor system). Obviously, CHEMIST can meet the varied requirements of many different users, except that it is applicable only to the computation of chemical equilibria or "steadystates" and not directly to the study of chemical kinetics. The program--written in natural language to facilitate use by professionals not trained in computer programming-- has evolved over the years, and will continue to do so. Consequently, this manual will be modified periodically to keep abreast of changes. This edition of the program and manual will be designated as CHEMIST; subsequent editions will be designated by an appropriate Roman numeral (i.e., CHEMIST II ). Chapter I is a general introduction to the theory and the literature. Chapter II details the operational control of the program, and Chap. III shows elaborated examples of its use. Finally, Chap. IV documents the subroutines.
Chemist , Chemical Equilibrium