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Strategies for solving the chemical equilibrium problem and an efficient microcomputer‐based algorithm
Author(s) -
Smith William R.,
Missen R. W.
Publication year - 1988
Publication title -
the canadian journal of chemical engineering
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.404
H-Index - 67
eISSN - 1939-019X
pISSN - 0008-4034
DOI - 10.1002/cjce.5450660409
Subject(s) - microcomputer , convergence (economics) , computer science , algorithm , range (aeronautics) , mathematical optimization , certainty , mathematics , engineering , telecommunications , chip , geometry , aerospace engineering , economics , economic growth
Abstract General strategies for solving the problem of computing the equilibrium composition of a multiphase, multispecies, chemically reacting system are discussed. An efficient new algorithm is presented based on these strategies, together with a microcomputer‐based implementation. Numerical examples show the algorithm's utility, and its advantages over other recently proposed methods in terns of a number of criteria, including speed and certainty of convergence. The range of problem types within the capability of the new algorithm, and its limitations are discussed.