Liquid-Liquid Equilibria of the Water-Ethanol-Dimethyl Succinate Ternary System

Abstract

Abstract: Liquid-liquid equilibrium (LLE) data for the ternary system water-ethanol-dimethyl
succinate havebeen determined experimentally at temperatures ranging from 298.15 to 318.15
K at 5 K intervals. Complete phasediagrams were obtained by determining solubility and the
tie-line data. Tie-line compositions were correlated byOthmer-Tobias method. The universal
quasichemical functional group activity coefficient (UNIFAC) and modifiedUNIFAC methods
were used to predict the phase equilibrium in the system using the interaction parameters
determined from experimental data between groups CH3, CH2, OH, CH3COO and H2O. It is found
that UNIFAC andmodified UNIFAC group interaction parameters used for LLE could not provide
a good prediction. Distributioncoefficients and separation factors were evaluated for the
immiscibility region.

Key words: ethanol, dimethyl succinate, liquid-liquid equilibria

摘要： Liquid-liquid equilibrium (LLE) data for the ternary system water-ethanol-dimethyl
succinate havebeen determined experimentally at temperatures ranging from 298.15 to 318.15
K at 5 K intervals. Complete phasediagrams were obtained by determining solubility and the
tie-line data. Tie-line compositions were correlated byOthmer-Tobias method. The universal
quasichemical functional group activity coefficient (UNIFAC) and modifiedUNIFAC methods
were used to predict the phase equilibrium in the system using the interaction parameters
determined from experimental data between groups CH3, CH2, OH, CH3COO and H2O. It is found
that UNIFAC andmodified UNIFAC group interaction parameters used for LLE could not provide
a good prediction. Distributioncoefficients and separation factors were evaluated for the
immiscibility region.

关键词: ethanol;dimethyl succinate;liquid-liquid equilibria

Erol nce, smail . Liquid-Liquid Equilibria of the Water-Ethanol-Dimethyl Succinate Ternary System [J]. .

Erol nce, smail . 水,乙醇和丁二酸二甲酯三元体系的液体平衡[J]. CIESC Journal.

References

[1] Uusi-Penttila, M., Richards, R.J., Blowers, P., Torgerson,B.A., Berglund, K.A.,
"Liquid-Liquid equilibria of selecteddibasic ester + water + solvent ternary systems", J.
Chem.Eng. Data, 41, 235 (1996).
[2] Arce, A., Blanco, A., Souza, P., Vidal, I., "liquidliquid equilibria of
water+methanol+1-octanol andwater+ethanol+1-octanol at various temperatures", J.Chem. Eng.
Data, 39, 378 (1984).
[3] Arenson, D.R., Kertes, A.S., King, C.J., "Extraction ofethanol from aqueous solution
with phenolic extractants",Ind. Eng. Res., 29, 607 (1990).
[4] Dadgar, A.M., Foutch, G.L., "Evaluation of solventsfor the recovery of clostridium
fermentation products byliquid-liquid extraction", Biotechnology and BioengineeringSymp.,
No. 15, 612 (1985).
[5] Garcia, I.G., Perez, A.Ch., Calero, F.C., "Liquid-liquidequilibrium data for the
ternary systems water-ethylalcohol-organic acid (hexanoic, heptanoic, octanoic, andnonanoic
acid) and water-ethyl alcohol-phthalic acid dialkylester (diethyl, dibuthyl, and dioctyl
ester)", J. Chem. Eng.Data, 33, 468 (1988).
[6] Jassal, D.S., Zhang, Z., Hill,G.A., "In-situ extraction andpurification of ethanol
using commercial oleic acid", Can.J. Chem. Eng., 72, 822 (1994).
[7] Kollerup, F., Daugulis, A.J., "Screening and identificationof extractive fermentation
solvents using a database", Can.J. Chem. Eng., 63, 919 (1985).
[8] Miner, M., Goma, G., "Evaluation of solvents for the recovery of clostridium
fermentation products by liquid-liquidextraction", Biotechnology and Bioengineering Symp.,
No.15,611 (1985).
[9] Zhang, Z., Hill, G.A., "Ternary liquid-liquid equilibria ofwater, ethanol and oleic
acid", J. Chem. Eng. Data, 36,453-456 (1991).
[10] Letcher, T.M., Bricknell, B.C., Sewry, J.D., Radloff, S.E.,"Liquid-liquid equilibria
for mixtures of an alkanol+hept1-ene+water at 25℃", J. Chem. Eng. Data, 39 (2), 320(1994).
[11] Fandary, M.S.H., Aljimaz, A.S, Al-kandary, J.A., Fahim,M.A., "Liquid-liquid equilibria
for the system water+ethanol+ethyl tert-butyl ether", J. Chem. Eng. Data,44 (6), 1129
(1999).
[12] Roddy, J.W., "Distribution of ethanol-water mixtures toorganic liquids", Ind. Eng.
Chem. Process. Des. Dev., 20,104-108 (1981).
[13] Fredenslund, A., Jones, R.L., Prausnitz, J.M., "Groupcontribution estimation of
activity coefficients in nonidealliquid mixture", AIChE J., 21, 1086 (1975).
[14] Weidlich, U., Gmehling, J., "A modified UNIFAC model. 1.Prediction of VLE, hE, and γ
∞", Ind. Eng. Chem. Res.,2 6, 1372 (187).
[15] Lohmann, J., Joh, R., Gmehling, J., "From UNIFAC tomodified UNIFAC(Dortmund)", Ind.
Eng. Chem. Res.,40, 957 (2001).
[16] Gmehling, J., Lohmann, J., Jacob, A., Li, J., Joh, R., "Amodified UNIFAC (Dortmund)
Model. 3. Revision andextension", Ind. Eng. Chem. Res., 37, 4876 (1998).
[17] Larsen, B.L., Rasmussen, P., Frenslund, A., "A modifiedUNIFAC group contribution model
for prediction of phaseequilibria and heats mixing", Ind. Eng. Chem. Res., 26,2274 (1987).
[18] Lide, D.R., Handbook of Chemistry and Physics, 73 rd ed.,CRC Press Inc., Boca Raton
FL, 3-470 (1992).
[19] Othmer, D.F., Tobias, P.E., "Tie-line correlation", Ind.Eng. Chem., 34 (6), 690
(1942).
[20] Magnussen, T., Rasmussen, P., Fredenlund, A., "UNIFACparameters table for prediction
of liquid-liquid equilibria",Ind. Eng. Chem. Process. Des. Dev., 20, 331 (1981).
[21] Gmehling, J., Li, J., Schiller, M., "Modified UNIFACmodel. 2. Present parameter matrix
and results for different thermodynamic properties", Ind. Eng. Chem. Res.,32, 178 (1993).
[22] Gmehling, J., Wittig, R., Lohmann, J., Joh, R., "A modified UNIFAC (Dortmund) model.
4. Revision and extension", Ind. Eng. Chem. Res., 41, 1678 (2002).
[23] Higashiuchi, H., Iwai, Y., Takahama, S., Tashima, Y., Arai,Y. "Correlation and
prediction for liquid-liquid eqilibria",Memoirs of the Faculty of Engineering, Kyushu
University,43 (2), 141 (1983).