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Nonlinear model reduction of chemical reaction systems
Author(s) -
Vora Nishith,
Daoutidis Prodromos
Publication year - 2001
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.690471016
Subject(s) - nonlinear system , reduction (mathematics) , algebraic number , state space , reaction dynamics , chemical reaction , chemistry , decomposition , reaction mechanism , computational chemistry , thermodynamics , mathematics , statistical physics , physics , mathematical analysis , organic chemistry , quantum mechanics , geometry , statistics , molecule , catalysis
A nonlinear model reduction method for nonisothermal reaction systems that exhibit dynamics in two different time scales owing to the presence of fast and slow reactions was developed. The method systematically identifies the independent algebraic constraints that define the low‐dimensional state space where the slow dynamics of the reaction system are constrained to evolve. It also derives state‐space realizations of the resulting differential algebraic system that describes the slow dynamics. This method is illustrated through the classic Michaelis‐Menten reaction system, and is applied to an ozone decomposition reaction system and a reaction mechanism for esterification of carboxylic acid.