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Constrained chemical equilibrium and incompletely specified elemental abundance data
Author(s) -
Norval G. W.,
Phillips M. J.,
Missen R. W.,
Smith W. R.
Publication year - 1991
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.5450690519
Subject(s) - chemical equilibrium , stoichiometry , computation , abundance (ecology) , product (mathematics) , thermodynamic equilibrium , distribution (mathematics) , product distribution , chemistry , thermodynamics , computer science , mathematics , catalysis , algorithm , physics , mathematical analysis , organic chemistry , geometry , fishery , biology
A general method for the computation of equilibrium composition in the presence of linear equilibrium constraints on chemical potentials is described for use in a standard general‐purpose algorithm. The existence of constraints, implied by product specifications or measured product distribution, is related to incomplete specification of elemental abundances and has implications for feed composition. The method is illustrated by two examples: SO 2 removal from stack gas and catalytic reforming. The distinction between equilibrium subject to equilibrium constraints on chemical potentials and that subject to stoichiometric restrictions is emphasized.