Improving phase equilibrium calculation with the Peng-Robinson EOS for fats and oils related compounds/supercritical CO2 systems

Fluid Phase Equilibria

Volumn 169, Issue 1, 2000, Pages 49-64

  Araújo, Marilena Emmi ^a   Meireles, M Angela A ^b  

^a UFPA   (Brazil)

^b LASEFI   (Brazil)

Author keywords

Binary mixtures; Carbon dioxide; Cubic equation of state; Fatty acid esters; Fatty acids; Ternary mixtures; Vapour liquid equilibria

Indexed keywords

BINARY MIXTURES; CARBON DIOXIDE; COMPUTATIONAL METHODS; CORRELATION METHODS; EQUATIONS OF STATE; ESTERS; FATTY ACIDS; MOLECULAR WEIGHT; OILS AND FATS; SUPERCRITICAL FLUIDS;

MIXING RULES; PENG-ROBINSON EQUATION;

PHASE EQUILIBRIA;

CARBON DIOXIDE; FAT; FATTY ACID; FATTY ACID ESTER; OIL;

ARTICLE; CALCULATION; CHEMICAL COMPOSITION; CONTROLLED STUDY; EQUILIBRIUM CONSTANT; INTERMETHOD COMPARISON; LIQUID; MATHEMATICAL MODEL; METHODOLOGY; MOLECULAR WEIGHT; PHASE TRANSITION; PREDICTION; PRESSURE; TEMPERATURE; VAPOR;

EID: 0342424726     PISSN: 03783812     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0378-3812(00)00307-1     Document Type: Article

References (49)

1. Araújo M.E., Masson M.L., Cardozo-Filho L., Meireles M.A.A. Estimation of the Solubility of Amazon Seed Oil in Supercritical Carbon Dioxide. Annual AIChE Meeting, St. Louis, MO, USA:1993.
2. Araújo M.E., Meireles M.A.A., Marques D.S., Ferreira S.R.S. Prediction of the Phase Equilibria of Orange Essential Oil with the Peng-Robinson Equation. Annual AIChE Meeting, San Francisco, CA, USA:1994.
3. Geana D., Steiner R. Calculation of phase equilibrium in supercritical extraction of C54 Triglyceride (Rapeseed Oil). Journal of Supercritical Fluids. 8(2):1995;107-118.
4. Machado N.T., Brunner G. High pressure vapor-liquid equilibria of palm fatty acids distillates-carbon dioxide system. Ciencia e Tecnologia de Alimentos. 17(4):1997;354-360.
5. Coniglio L., Knudsen K., Gani R. Model prediction of supercritical fluid-liquid equilibria for carbon dioxide and fish oil related compounds. Industrial Engineering Chemical Research. 34:1995;2473-2484.
6. Iwai Y., Morotomi T., Sakamoto K., Koga Y., Arai Y. High pressure vapor-liquid equilibria for carbon dioxide+limonene. Journal of Chemical and Engineering Data. 41:1996;951-952.
7. N.T. Machado. Fractionation of PFAD-Compounds in Countercurrent Columns Using Supercritical Carbon Dioxide as Solvent. Doctoral thesis, TUHH, Hamburg, Germany, 1998.
8. Teja A.S., Lee R.J., Rosenthal D., Anselme M. Correlation of the critical properties of alkanes and alkanols. Fluid Phase Equilibria. 56:1990;153-169.
9. Joback K.G., Reid R.C. Estimation of pure-component properties from group-contributions. Chemical Engineering Communications. 57:1987;233-243.
10. Reid R., Prausnitz J.M., Poling B. The Properties of Gases and Liquids. 4th edn. 1987;McGraw-Hill, New York. 741 pp.
11. Constantinou L., Gani R. New group contribution method for estimating properties of pure compounds. AIChE Journal. 40(10):1994;1697-1710.
12. Dohrn R. Berechnung von Phasengleichgewichten Grundlagen und Fortschritte der Ingenieurwissenschafen, Friedr. 1994;Vieweg, Weisbaden. 304 pp.
13. c using the most accurate methods available. Brasilian Journal of Chemical Engineering. 13(4):1996;192-199.
14. 2 with EOS/GE models. Fluid Phase Equilibria. 102:1994;121-141.
15. Anderko A. Equation-of-state methods for the modeling of phase equilibria. Fluid Phase Equilibria. 61:1990;145-225.
16. Inomata H., Kondo T., Hirohama S., Arai K., Suzuki Y., Konno M. Vapour-liquid equilibria for binary mixtures of carbon dioxide and fatty acid methyl esters. Fluid Phase Equilibria. 46:1989;41-52.
17. Bharath R., Inomata H., Arai K., Shoji K., Noguchi Y. Vapor-liquid equilibria for binary mixtures of carbon dioxide and fatty acid ethyl esters. Fluid Phase Equilibria. 50:1989;315-327.
18. Zou M., Yu Z-R., Kashulines P., Rizvi S.S.H., Zollweg J.A. Fluid-liquid phase equilibria of fatty acids and fatty acid methyl esters in supercritical carbon dioxide. Journal of Supercritical Fluids. 3(1):1990;23-28.
19. Yu Z-R., Rizvi S.S.H., Zollweg J.A. Phase equilibria of oleic acid, methyl oleate and anhydrous milk fat in supercritical carbon dioxide. Journal of Supercritical Fluids. 5(2):1992;114-122.
20. 2-fatty oil component binary systems. Fluid Phase Equilibria. 83:1993;183-192.
21. Yu Z-R., Singh B., Rizvi S.S.H. Solubilities of fatty acids, fatty acid esters, triglycerides, and fats and oils in supercritical carbon dioxide. Journal of Supercritical Fluids. 7:1994;51-59.
22. Kwak T.Y., Mansoori G.A. Van der Waals mixing rules for cubic equations of state. Applications for supercritical fluid extraction modeling. Chemical Engineering Science. 41(5):1986;1303-1309.
23. Park S.J., Kwak T.Y., Mansoori G.A. Statistical mechanical description of supercritical fluid extraction and retrograde condensation. International Journal of Thermophysics. 8(4):1987;449-471.
24. Pavlicek J., Richter M. High pressure vapour-liquid equilibrium in the carbon dioxide-α-pinene system. Fluid Phase Equilibria. 90:1993;125-133.
25. Wagner Z. Vapour-liquid equilibrium in the carbon dioxide-ethyl propanoate system at pressures from 2 to 9 MPa and temperatures from 303 to 323 K. Fluid Phase Equilibria. 112:1995;125-129.
26. Ambrose D., Ghiassee N.B. Vapour pressures and critical temperatures and critical pressures of some alkanoic acids: C-1 to C-10. Journal of Chemical Thermodynamics. 19:1987;505-519.
27. Simmrock K.H., Janowsky R., Ohnsorge A. Critical data of pure substances. Chemistry Data Series. Vols. 1, 2:1986;DECHEMA, Frankfurt.
28. Ambrose D. Journal of Chemical Thermodynamics. 13:1981;795-805.
29. Boublik T., Fried V., Hala E. The Vapor Pressure of Pure Substances. 2nd edn. 1984;Elsevier, New York. 980 pp.
30. Ashour I., Wennersten R. Modified Carnahan-Starling-Soave equation for the calculation of vapor pressures for saturated fatty acids. Journal of Supercritical Fluids. 2:1989;73-79.
31. Somayajulu G.R. Estimation procedures for critical constants. Journal of Chemical and Engineering Data. 34:1989;106-120.
32. Dohrn R. General correlations for pure-component parameters of two-parameter equations-of-state. Journal of Supercritical Fluids. 5:1992;81-90.
33. Han B., Peng D-Y. A group-contribution correlation for predicting the acentric factors of organic compounds. Canadian Journal of Chemical Engineering. 71:1993;332-334.
34. Constantinou L., Gani R., O'Connell J.P. Estimation of the acentric factor and the liquid molar volume at 298 K using a new group contribution method. Fluid Phase Equilibria. 103:1995;11-22.
35. Tu C.H. Group-contribution method for the estimation of vapor pressures. Fluid Phase Equilibria. 99:1994;105-120.
36. Vetere A. Predicting the vapor pressures of pure compounds by using the Wagner equation. Fluid Phase Equilibria. 62:1991;1-10.
37. Pitzer K.S., Lippman D.Z., Curl R.F. Jr., Huggins C.M., Patersen D.E. The volumetric and thermodynamic properties of fluids. I. Theoretical basis and virial coefficients. II. Compressibility factor, vapor pressure and entropy of vaporization. Journal of the American Chemists' Society. 77:1955;3427-3440.
38. M.E. Araújo. Estudo do Equilíbrio de Fases para Sistemas Óleo Vegetal/Dióxido de Carbono empregando a Equação de Peng-Robinson (Study of the phase equilibrium for vegetable oil/carbon dioxide systems using Peng-Robinson equation). Doctoral thesis, UNICAMP, Campinas, Brazil, 1997.
39. Nelder J.A., Mead R. A simplex method for function minimization. Comp. Journal. 7:1965;308-313.
40. Bernardo-Gil G., Esquível M., Ribeiro A. Densities and refractive indices of pure organic acids as a function of temperature. Journal of Chemical and Engineering Data. 35:1990;202-204.
41. Lide D.R. Handbook of Chemistry and Physics. 73rd edn. 1993;CRC Press. 1500 pp.
42. Maheshwari P., Nikolov Z.L., White T.M., Hartel R. Solubility of fatty acids in supercritical carbon dioxide. Journal of the American Oil Chemists' Society. 69(11):1992;1069-1076.
43. Yau J-S., Chiang Y-Y., Shy D-S., Tsai F-N. Solubilities of carbon dioxide in carboxylic acids under high pressures. Journal of Chemical Engineering of Japan. 25(5):1992;544-548.
44. Panagiotopoulos A.Z., Reid R.C. High-pressure phase equilibria in ternary fluid mixtures. Squires T.G., Paulaitis M.E. Supercritical Fluids: Chemical and Engineering Principles and Applications. ACS Symposium Series 329, Washington:1987;101-129.
45. Coniglio L., Knudsen K., Gani R. Prediction of supercritical fluid-liquid equilibria for carbon dioxide and fish oil related compounds through the equation of state-excess function (EOS-GE) approach. Fluid Phase Equilibria. 116:1996;510-517.
46. Yakoumis I.V., Vlachos K., Kontogeorgis G.M., Coutsikos P., Kalospiros N.S., Tassious D. Application of the LCVM model to systems containing organic compounds and supercritical carbon dioxide. Journal of Supercritical Fluids. 9(2):1996;88-98.
47. 2. Journal of Supercritical Fluids. 3(2):1990;85-90.
48. Yu Z.R., Zou M., Bhaskar A.R., Rizvi S.S.H., Zollweg J.A. Fluid-liquid equilibria of supercritical carbon dioxide+methyl oleate+oleic acid. Journal of Supercritical Fluids. 6(2):1993;63-68.
49. Larsen B.L., Rasmussen P. A modified UNIFAC group-contribution model for prediction of phase equilibria and heats of mixing. Industrial & Engineering Chemistry Research. 26(11):1987;2274-2286.