Chemist-The Rand Chemical Equilbrium Program
Files
Date
1967-12
Authors
Journal Title
Journal ISSN
Volume Title
Publisher
Rand Corporation
Abstract
Description
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.
Keywords
Chemist, Chemical Equilibrium