Thermodynamic Framework for Design of Reaction Rate Equations and Schemes

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216305%3A26310%2F09%3APU81890" target="_blank" >RIV/00216305:26310/09:PU81890 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Result language
angličtina
Original language name
Thermodynamic Framework for Design of Reaction Rate Equations and Schemes
Original language description
It has been shown previously that rational thermodynamics provides general foundations of mass-action kinetic law from the principles of continuum, irreversible thermodynamics. Practical outcomes of this phenomenological theory are analyzed and comparedwith traditional kinetic approaches on the example of N2O decomposition. It is revealed that classical rate equations are only simplified forms of a polynomial approximation to a general rate function proved by the continuum thermodynamics. It is also shown that various special considerations that have been introduced formerly as additional hypothesis to satisfactorily describe experimental data are naturally included in the thermodynamic approach. The method, in addition, makes it possible to obtain more general mass-action-type rate equations that give better description of experimental data than the traditional ones. The method even reverses the classical kinetic paradigm - reaction scheme directly follows from the rate equation. Dat
Czech name
Termodynamická metoda návrhu reakčních rychlostí a mechanismů
Czech description
Z nerovnovážné termodynamiky vyplývají rychlostní rovnice chemických reakcí i jejich možné mechanismy

Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Publication year
2009
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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