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Sensitivity analysis of catalytic conversion of n ‐C 6
Author(s) -
Wolff Andrzej
Publication year - 1990
Publication title -
chemical engineering and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.403
H-Index - 81
eISSN - 1521-4125
pISSN - 0930-7516
DOI - 10.1002/ceat.270130138
Subject(s) - cyclopentane , sensitivity (control systems) , isomerization , adiabatic process , thermodynamics , chemistry , computation , benzene , kinetic energy , hexane , catalysis , analytical chemistry (journal) , physics , mathematics , stereochemistry , organic chemistry , engineering , algorithm , quantum mechanics , electronic engineering
The present paper is a case study of an application of sensitivity analysis in chemical kinetics. Emphasis is laid upon chemical interpretation of sensitivity information and on identification of the most important model important model parameters. The kinetic model for reforming of C 6 hydrocarbons proposed by Mobil [14] is extended to the analysis of the behavior of n ‐hexane conversion in an adiabatic reactor. The importance of six initial conditions (feed composition and initial temperature) is analyzed by the computation of normalized first order sensitivity gradients ( y 1 o / y ) (δ y i /δ y 1 o ). The relative importance of 21 model parameters α j is estimated by the computation of normalized sensitivity gradients of the type (α j / y i ) (δ y i /δα j ). The influence of the decisive model parameters Δ H 6 oand Δ H 3 o(activation enthalpies of benzene hydrogenation and methyl cyclopentane isomerization, respectively) as well as operating parameters is presented. The problem of uncertainly in the value of Δ H 6 oand its influence on the model solution is also sown. Finally, some advantages of the application of normalized gradients of the explanation of process behavior are discussed.