Abstract
The liquid-liquid equilibrium (LLE) for the system water-dodecane-butanol was estimated using the UNIQUAC model. In the UNIQUAC model interaction parameters were estimated from the vapor-liquid equilibrium (VLE) and LLE data of their constituent binary pairs. The water-dodecane-butanol LLE was experimentally measured at 298.15 K. Phase stability constraints were taken into account while calculating the binary interaction parameters from the mutual solubility data. The COSMO-RS method was used to estimate the activity coefficient in the miscible binary pair. The ternary LLE composition was predicted using the experimental VLE data as well as using the COSMO-RS calculated activity coefficient data along with the experimental mutual solubility data. In the latter case the root mean square deviation (RMSD) for the distribution of butanol between aqueous and organic phase is 0.24%. The corresponding UNIFAC model prediction is 7.63%.
Highlights
Extraction of uranium and plutonium from the spent nuclear fuel using PUREX method employs tributyl phosphate (TBP) as the extractant and dodecane as the diluent
In order to understand the distribution of these compounds in the PUREX process stream their liquid-liquid equilibrium (LLE) behavior between the aqueous and organic phase must be known
COSMO-RS model reported by Klamt and Eckert [6, 7] for the prediction of fluid phase thermodynamic properties is gaining importance to predict LLE
Summary
Extraction of uranium and plutonium from the spent nuclear fuel using PUREX method employs tributyl phosphate (TBP) as the extractant and dodecane as the diluent. In order to understand the distribution of these compounds in the PUREX process stream their liquid-liquid equilibrium (LLE) behavior between the aqueous and organic phase must be known. The accurate prediction of LLE using the limited amount of experimental data was investigated by several researchers [2,3,4,5,6]. Anderson and Prausnitz [2] described the application of UNIQUAC model for the prediction of LLE. Magnussen et al [3] reported separate parameter table for the prediction of LLE using UNIFAC group contribution model. COSMO-RS model reported by Klamt and Eckert [6, 7] for the prediction of fluid phase thermodynamic properties is gaining importance to predict LLE.
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