Termodynamická metoda návrhu reakčních rychlostí a mechanismů

Kód výsledku v 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>

Výsledek na webu

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DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

Thermodynamic Framework for Design of Reaction Rate Equations and Schemes

Popis výsledku v původním jazyce

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

Název v anglickém jazyce

Thermodynamic Framework for Design of Reaction Rate Equations and Schemes

Popis výsledku anglicky

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

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CF - Fyzikální chemie a teoretická chemie

OECD FORD obor

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Projekt

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Návaznosti

Z - Vyzkumny zamer (s odkazem do CEZ)

Rok uplatnění

2009

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Collection of Czechoslovak Chemical Communication

ISSN

0010-0765

e-ISSN

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Svazek periodika

74

Číslo periodika v rámci svazku

9

Stát vydavatele periodika

CZ - Česká republika

Počet stran výsledku

27

Strana od-do

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Kód UT WoS článku

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EID výsledku v databázi Scopus

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