SENSITIVITY ANALYSIS OF MULTIPLE CHEMICAL-EQUILIBRIA - SENSITIVITY COEFFICIENTS AND RESPONSE EQUILIBRIA

Citation
I. Fishtik et al., SENSITIVITY ANALYSIS OF MULTIPLE CHEMICAL-EQUILIBRIA - SENSITIVITY COEFFICIENTS AND RESPONSE EQUILIBRIA, The Journal of chemical physics, 103(17), 1995, pp. 7545-7555
Citations number
9
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
103
Issue
17
Year of publication
1995
Pages
7545 - 7555
Database
ISI
SICI code
0021-9606(1995)103:17<7545:SAOMC->2.0.ZU;2-2
Abstract
For general multiple chemical equilibria it is shown that both the Hes sian determinant and the sensitivity coefficients may be presented as sums of contributions coming from two distinct classes of reactions, w hich we call Hessian and non-Hessian response equilibria (HEQs and NHE Qs, respectively), and pairs thereof. This approach is shown to be equ ivalent to another one in which the Hessian determinant and the sensit ivity coefficients are treated in terms of contributions coming solely from HEQs and their pairwise interactions. The results obtained in th is work hold irrespective of the type of kinetics (linear or nonlinear ) by means of which the equilibrium state is achieved. (C) 1995 Americ an Institute of Physics.