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Computation of phase and chemical equilibrium, part IV: Approach to chemical equilibrium
Author(s) -
White Charles W.,
Seider Warren D.
Publication year - 1981
Publication title -
aiche journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.958
H-Index - 167
eISSN - 1547-5905
pISSN - 0001-1541
DOI - 10.1002/aic.690270316
Subject(s) - chemical equilibrium , phase equilibrium , gibbs free energy , computation , thermodynamics , thermodynamic equilibrium , phase (matter) , chemistry , computer science , physics , algorithm , organic chemistry
The Rand algorithm for calculation of compositions in phase and chemical equilibrium is extended to permit specifications of extents of reactions that cannot be taken at equilibrium. Pseudo‐Gibbs free energies of formation are introduced to permit specification of temperature approaches. The extended algorithm is demonstrated for methane reforming.