Prediction of the Partition Coefficient for Acetic Acid in a Two-Phase System Soybean Oil-Water
An analytical approach for the prediction of the partition coefficient for acetic acid between soybean oil and water, dependent
on temperature and composition, has been proposed. The original and three modified UNIFAC models as well as the UNIQUAC model
were used to represent the liquid–liquid equilibrium data in the ternary system. To calculate the density of the water and
oil phase the COSTALD method was applied. The proposed approach for the prediction of the partition coefficient for acetic
acid fit the experimental data well when the UNIQUAC model was used. The results of the application of the proposed approach
to the experimental data for acetic acid partition coefficient taken from the literature were also presented and discussed.
Available from: Nevena Vukić
- "Rangarajan et al. determined experimentally the partition coefficient for acetic acid in a soybean oil-acetic acid-water system at 313 and 333 K . On the basis of experimental data for the liquidliquid equilibrium constant for acetic acid, Sinadinović-Fišer and Janković calculated the partition coefficient for acetic acid in the soybean oil-acetic acid-water system at temperature range of 293-353 K . Campanella et al. determined the partition coefficient for formic acid/acetic acid in the soybean oil-formic acid/acetic acid-water system at 313 K . "
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ABSTRACT: The impact of the relevant process variables on the reaction of soybean oil fatty acid methyl esters with performic acid (PFA) generated in situ using concentrated hydrogen peroxide (up to 60 wt%), to produce an epoxidized product in high yield, is studied in detail. The degree of mixing, temperature, concentration and molar ratios of reactants and/or use of a diluent were considered.Temperature increases are significantly detrimental for achieving high oxirane numbers, as the selectivity to ring-opening reactions increases. Higher concentrations of either formic acid or H2O2 are also harmful (particularly, the carboxylic acid) but much less than temperature.A proposed alternative process, employing moderate temperature (up to 40 °C) and concentrated H2O2, compares favourably with the conventional one; higher conversion combined with high epoxide productivity and selectivity are attainable.Using economically sound reactants molar ratios, under well-mixed regimes, in which the immiscible polar and organic phases are well dispersed, the epoxidation process can be adequately described using an (equilibrated) two-phase reaction model. The model accounts for both the reversible peracid formation (in the aqueous phase) and the epoxidation reaction proper, together with the attacks on the epoxide ring by formic acid and performic acid (in the organic phase).
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ABSTRACT: Partition coefficients for the carboxylic acids (A) acetic and formic acids between oil and water were measured, correlated,
and predicted. The experiments were conducted by equilibrating the systems, soybean oil (SO)–H2O–A and fatty acid methyl ester (FAME)–H2O–A, at 40 °C employing different compositions. The partition coefficients were correlated using the UNIQUAC model and, also,
predicted by calculating the activity coefficients of the carboxylic acid in the two phases using a group contribution method,
the UNIFAC equation. Agreement of experimental partition coefficients values with those estimated by UNIFAC are fair. Other
experimental data from literature were also correlated and are discussed.
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