MATHEMATICAL FOUNDATION OF THE HESSIAN RESPONSE EQUILIBRIUM CONCEPT

Citation
I. Gutman et I. Nagypal, MATHEMATICAL FOUNDATION OF THE HESSIAN RESPONSE EQUILIBRIUM CONCEPT, Journal of mathematical chemistry, 19(2), 1996, pp. 193-203
Citations number
7
Categorie Soggetti
Chemistry,Mathematics
ISSN journal
02599791
Volume
19
Issue
2
Year of publication
1996
Pages
193 - 203
Database
ISI
SICI code
0259-9791(1996)19:2<193:MFOTHR>2.0.ZU;2-X
Abstract
In our previous studies of systems with multiple chemical equilibria w e examined sensitivity coefficients partial derivative n(k)/partial de rivative Y, where n(k) is the equilibrium amount of the kth chemical s pecies, and Y is a parameter influencing the equilibrium. The chemical transformations in the system are described by means of stoichiometri cally independent reactions (SIRs). It was shown that the sensitivity coefficients can be expressed in terms of contributions associated wit h so-called Hessian response equilibria (HEQs). We now prove some fund amental properties of HEQs, among which are the following: 1. The HEQs are independent of the choice of SIRs. 2. The number of linearly inde pendent HEQs is equal to the number of SIRs.