Response reactions: definition, derivation and classification based on thecomposition of the participating species

Citation
Ea. Hoffmann et I. Nagypal, Response reactions: definition, derivation and classification based on thecomposition of the participating species, PHYS CHEM P, 3(15), 2001, pp. 3107-3113
Citations number
16
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
ISSN journal
14639076 → ACNP
Volume
3
Issue
15
Year of publication
2001
Pages
3107 - 3113
Database
ISI
SICI code
1463-9076(2001)3:15<3107:RRDDAC>2.0.ZU;2-D
Abstract
An interpretive concept has recently been published to rationalize the chan ges generated by the change of control parameters (pressure, temperature, c omposition) in complex equilibrium systems. It was proven that all of the s ensitivity coefficients (and many other thermodynamically important quantit ies) may be split into terms which are uniquely assigned to the so-called r esponse reactions (RERs). RERs were defined by the missing species and thei r derivation was based on the stoichiometrically independent reactions (SIR s). In this paper we redefine RERs with the help of the participating speci es and derive them from the composition of the participating species. This new way of definition and derivation leads to the classification of RERs, w hich was not possible before and helps to understand the underlying chemist ry of governing and regulating the equilibrium systems. The formulae are pr esented in general form, but some examples are also given to rationalize th eir meaning.