Efficient Extraction of Butyric Acid from Aqueous Solution using n-Dodecane: Measurement of Equilibrium Data and Thermodynamic Modeling

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Parvaneh Samaneh; Shekarsaraee Sina

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Journal: APPLIED CHEMISTRY TODAY Year:2024 | Volume:19 | Issue:72 Page(s): 95-112

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Information Journal Paper

Title

Efficient Extraction of Butyric Acid from Aqueous Solution using n-Dodecane: Measurement of Equilibrium Data and Thermodynamic Modeling

Author(s)

Parvaneh Samaneh | Shekarsaraee Sina | Issue Writer Certificate

Keywords

Butyric acid

Liquid-liquid equilibrium

Ternary system

NRTL thermodynamic model

Abstract

In this research, the liquid-liquid equilibrium data of the ternary system (water + n-butyric acid + n-dodecane) were obtained at a temperature of 298.2 K and a pressure of 101.3 kPa. The ternary phase diagram was drawn using data of tie-lines obtained from acid-base and Karl Fischer titrations. Hand and Othmer-Tobias equations were used to check the correlation of data of tie-lines. The obtained fit coefficients (0.997 for both equations) showed that the tie-lines are reliable. The distribution coefficients and selectivity factors in the two-phase region were obtained in the ranges of 1.88 to 2.14 and 343.78 to 122.44, respectively. The values obtained for these two parameters showed that n-dodecane is a high-efficiency solvent for removing butyric acid from the aqueous phase. NRTL equation was used for thermodynamic modeling of experimental data. The obtained binary interactions were examined after validating the data. The quality of the modeling was evaluated by calculating the root mean square deviations (rmsd). The value obtained for it (1.11%) showed that the modeling was done well.

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