15. ÖMG-Kongress
Jahrestagung der Deutschen Mathematikervereinigung

16. bis 22. September 2001 in Wien

Sektion 10 - Angewandte Mathematik, Industrie- und Finanzmathematik
Dienstag, 18. September 2001, 18.00, Hörsaal 42


On Valuation Operators In Stoichiometry and in Reaction Syntheses

István Szalkai, University of Veszprém


Let us interpret the vectors of the $ n$-dimensional Euclidean space $ R^{n}$ in several ways as species (groups of atoms/functional bonds), reactions, mechanisms, measure units, etc.

Any linear (additive and homogeneous) quantity of any of these interpretations is, in fact a linear functional $ L:R^{n}\rightarrow R$. Examples for such linear quantities are the molar volume, entalpy of formation, heat capacity, standard Gibbs free energy change $ \Delta G^{o}$ (free entalpy) is the linear combination of the standard chemical potencials $ \mu _{i}$, heat of reactions, etc.

We call these functional in our presentation a valuation operator. Using the theory of linear functionals (esp. the Representation Theorem of F.Riesz) in linear algebra, we can investigate the structure of these linear functionals and may draw further conclusions.

These investigations serve a theoretical background for calculation methods already in use concerning valuation operators (increments/ linear functionals/ quantitative characteristics) in several fields of chemistry and physics.

[1] Szalkai,I.: On valuation operators in stoichiometry and in reaction syntheses, J.Math. Chem. 27 (2000), 377-385

E-Mail: szalkai@almos.vein.hu

Zeitplan der Sektion   Tagesübersicht   Liste der Vortragenden