Influence of non-ideal behavior on esterification kinetics modeling

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22310%2F20%3A43920698" target="_blank" >RIV/60461373:22310/20:43920698 - isvavai.cz</a>

Výsledek na webu

<a href="https://link.springer.com/article/10.1007%2Fs11144-020-01796-7" target="_blank" >https://link.springer.com/article/10.1007%2Fs11144-020-01796-7</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1007/s11144-020-01796-7" target="_blank" >10.1007/s11144-020-01796-7</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Influence of non-ideal behavior on esterification kinetics modeling

Popis výsledku v původním jazyce

The well-known kinetics of Fischer esterification has already been reported for various systems. Despite this fact, the kinetic model of esterification of oleic acid and methanol under catalysis with sulfuric acid is still debated in the literature. The main reason is the two-phase character of the reaction mixture being neglected in kinetic studies. Contrary to this, the kinetics of autocatalytic esterification of cyclic alcohols with formic acid have not been published so far. Here, we present a kinetic study of both systems to assess the influence of the non-ideal (multi-phase) behavior on kinetic modeling. For the system of autocatalytic esterification of cyclic alcohols, we have found that a simple kinetic model without activity coefficients provides a good description of the experimental data. However, the same model is insufficient for the system of oleic acid and methanol. Therefore, we have developed a new approach based on kinetic modeling, including activity coefficients. Consequently, we have been able to describe for the first time the kinetics of oleic acid esterification in a homogeneous reaction mixture. Moreover, we provide a novel explanation for the commonly observed inhibition of this reaction by water as a result of phase equilibria in the reaction mixture.

Název v anglickém jazyce

Influence of non-ideal behavior on esterification kinetics modeling

Popis výsledku anglicky

The well-known kinetics of Fischer esterification has already been reported for various systems. Despite this fact, the kinetic model of esterification of oleic acid and methanol under catalysis with sulfuric acid is still debated in the literature. The main reason is the two-phase character of the reaction mixture being neglected in kinetic studies. Contrary to this, the kinetics of autocatalytic esterification of cyclic alcohols with formic acid have not been published so far. Here, we present a kinetic study of both systems to assess the influence of the non-ideal (multi-phase) behavior on kinetic modeling. For the system of autocatalytic esterification of cyclic alcohols, we have found that a simple kinetic model without activity coefficients provides a good description of the experimental data. However, the same model is insufficient for the system of oleic acid and methanol. Therefore, we have developed a new approach based on kinetic modeling, including activity coefficients. Consequently, we have been able to describe for the first time the kinetics of oleic acid esterification in a homogeneous reaction mixture. Moreover, we provide a novel explanation for the commonly observed inhibition of this reaction by water as a result of phase equilibria in the reaction mixture.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

—

Návaznosti

S - Specificky vyzkum na vysokych skolach

Rok uplatnění

2020

Kód důvěrnosti údajů

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

Název periodika

Reaction Kinetics Mechanisms and Catalysis

ISSN

1878-5190

e-ISSN

—

Svazek periodika

130

Číslo periodika v rámci svazku

2

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

16

Strana od-do

617-632

Kód UT WoS článku

000539924100003

EID výsledku v databázi Scopus

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