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Strategies for solving the chemical equilibrium problem and an efficient microcomputer‐based algorithm
The Canadian Journal Of Chemical EngineeringPeer ReviewedSmith William R. +11988Journals
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.

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