Structural analysis of multicomponent reaction models: Part II. Formulation of mass balances and thermodynamic constraints | Zendy

Sorensen Jan P. | Zendy; Stewart Warren E. | Zendy

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Structural analysis of multicomponent reaction models: Part II. Formulation of mass balances and thermodynamic constraints

Author(s) -

Sorensen Jan P.,

Stewart Warren E.

Publication year - 1980

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.690260117

Subject(s) - chemistry , set (abstract data type) , chemical reactor , chemisorption , type (biology) , thermodynamics , catalysis , computer science , physics , organic chemistry , ecology , biology , programming language

Simulation of chemical reactors requires the formulation of mass balances, often coupled with thermodynamic constraints such as ionization and chemisorption equilibria. We provide a systematic procedure for selecting the smallest sufficient set of dependent variables and a corresponding set of mass balances. The procedure depends on the type of reactor, and is developed for two common reactor types. The procedure is implemented on a computer and illustrated by examples from catalysis and electrochemistry.

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