Solvent effects on esterification equilibria

Ole Riechert, Maik Husham, Gabriele Sadowski, Tim Zeiner

Publikation: Beitrag in einer FachzeitschriftArtikelForschungBegutachtung

Abstract

Solvents are known to have strong impacts on the yields of equilibrium reactions. This work focuses on the thermodynamic investigation of these solvent effects on esterification reactions of acetic acid and propionic acid with ethanol. Esterification of acetic acid was performed in the solvents acetone, acetonitrile (ACN), dimethylformamide (DMF), and tetrahydrofurane as well as in mixtures thereof. ACN promotes the esterification of acetic acid, whereas it is strongly suppressed by DMF. The esterification of propionic acid was investigated with various reactant concentrations in acetone. The experimental equilibrium data in pure solvents and solvent mixtures were modeled using the thermodynamic equilibrium constant Ka and the reactant/product activity coefficients predicted by the perturbed chain-statistical associating fluid theory (PC-SAFT). For a given Ka, PC-SAFT is able to predict the influence of the solvent and even solvent mixtures on the equilibrium concentrations of esterification in almost quantitative agreement with the experimental data.

Originalspracheenglisch
Seiten (von - bis)3000-3011
Seitenumfang12
FachzeitschriftAIChE Journal
Jahrgang61
Ausgabenummer9
DOIs
PublikationsstatusVeröffentlicht - 1 Sep 2015

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Esterification
Acetic acid
Acetic Acid
Dimethylformamide
Propionic acid
Acetone
Acetonitrile
Thermodynamics
Fluids
Activity coefficients
Equilibrium constants
Ethanol

Schlagwörter

    ASJC Scopus subject areas

    • Biotechnology
    • Environmental engineering
    • !!Chemical Engineering(all)

    Dies zitieren

    Solvent effects on esterification equilibria. / Riechert, Ole; Husham, Maik; Sadowski, Gabriele; Zeiner, Tim.

    in: AIChE Journal, Jahrgang 61, Nr. 9, 01.09.2015, S. 3000-3011.

    Publikation: Beitrag in einer FachzeitschriftArtikelForschungBegutachtung

    Riechert, O, Husham, M, Sadowski, G & Zeiner, T 2015, 'Solvent effects on esterification equilibria' AIChE Journal, Jg. 61, Nr. 9, S. 3000-3011. https://doi.org/10.1002/aic.14873
    Riechert, Ole ; Husham, Maik ; Sadowski, Gabriele ; Zeiner, Tim. / Solvent effects on esterification equilibria. in: AIChE Journal. 2015 ; Jahrgang 61, Nr. 9. S. 3000-3011.
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