Fevereiro 2015 vol. 1 num. 2 - XX Congresso Brasileiro de Engenharia Química

Artigo - Open Access.

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Comparative work about UNIFAC based models for hydroalcoholic systems with electrolytes

MATUGI, K. ; GIORDANO, R. C. ;

Artigo:

An alternative technology for anhydrous ethanol production is extractive distillation with salts such as potassium acetate and calcium chloride. Salting out effects in hydroalcoholic systems may be modeled using group contribution methods such as UNIFAC. This work presents a comparison between these models in the background of anhydrous ethanol production. The evaluated system is a ternary one (water, ethanol and salt – potassium acetate or calcium chloride) whose experimental data were taken from the literature. Although the results depend on reparametrizations carried out for each piece of work, it was observed that the best models (with lower deviations) were the simplest ones, without accounting for medium range interactions or solvation.

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DOI: 10.5151/chemeng-cobeq2014-1001-21797-173363

Referências bibliográficas
  • [1] ABRAMS, D. S.; PRAUSNITZ, J. M. Statistical thermodynamics of liquid mixtures: A new expression for the excess Gibbs energy of partly or completely miscible systems.AIChE J., v. 21, n. 1 p. 116 – 128, 1975.
  • [2] ACHARD, C.; DUSSAP, C. G.; GROS, J. B. Representation of vapour-liquid equilibria in water-alcohol-electrolyte mixtures with a modified UNIFAC group-contribution method. Fluid Phase Equilibr., v. 98, p. 71 – 89, 1994.
  • [3] AZNAR, M.; TELLES, A. S. Prediction of electrolyte vapor-liquid equilibrium by UNIFAC-Dortmund. Braz. J. Chem. Eng., v. 18. n. 2. 2001.
  • [4] BURNS, J. A.; FURTER, W. F. Salt Effect in Vapor-Liquid Equilibrium at Fixed Liquid Composition. Adv. Chem. Ser., v. 177, p. 11 – 26, 1979.
  • [5] CARDOSO, M. and O’CONNELL, J.P. Activity Coefficients in Mixed Solvent Electrolyte Solution.Fluid Phase Equil., v. 33, p. 315-326, 1987.
  • [6] CIPARIS, J. N. Data of salt effect in vapour-liquid equilibrium. Lithuanian Agricultural Academy, Kaunas, 196
  • [7] DAHL, S. and MACEDO, E.A. The MHV2 Model: A UNIFAC-Based Equation of State Model for Vapor-Liquid and Liquid-Liquid Equilibrium of Mixtures with Strong Electrolytes.Ind. Eng. Chem. Res., v. 31, p. 1195-1201, 1992.
  • [8] DEBYE, P. and HÜCKEL E. ZurTheorie der Elektrolyte. I. Gefrierpunktserniedrigung und verwandteErscheinungen. PhysikalischeZeitschrift, v. 24, p. 185–206, 1923.
  • [9] FREDENSLUND, A.; GMEHLING, J.; RASMUSSEN, P. Vapor-liquid equilibria using UNIFAC. Amsterdam: Elsevier, 1977.
  • [10] FROLKOVA, A. K.; RAEVA, V. M. Bioethanol dehydration: state of the art. Theor. Found. Chem. Eng., v. 44, n. 4, p. 545 – 556, 20
  • [11] HASHEMI, N.; et al. Application of a new gibbs energy equation to model a distillation tower for production of pure ethanol. Chem. Eng. Technol., v. 34. No. 10, p. 1715 – 1722, 20
  • [12] HASHITANI, M.; HIRATA, M.; HIROSE, Y. Salt Effect in Vapor-Liquid Equilibrium and Distillation with the Salt. Three Ternary Systems: Ethanol-, Isopropanol-, n-Propanol-Water-Calcium Chloride. Kagaku Kogaku, v. 32, p. 182 – 187, 1968.
  • [13] HAYDEN, J. and O''CONNELL, J. A Generalized Method for Predicting Second Virial Coefficients. Ind. Eng. Chem. Process Des. Dev., v. 14, p. 209, 1975.
  • [14] HUANG, H.; et al. Separation and purification processes for lignocellulos-to-bioalcohol production. In: WALDRON, K. Bioalcohol production. New York: Woodhead Publishing Limited; CRC Press LLC, 2010, p. 246 – 277.
  • [15] Área temática: Engenharia das Separações e Termodinâmica 8KIKIC, I.; FERMEGLIA, M.; RASMUSSEN, P. UNIFAC prediction of vapour-liquid equilibria in mixed solvent-salt systems. Chem. Eng. Sci., v. 46, n. 11, p. 2775 – 2780, 1991.
  • [16] KOREA THERMOPHYSICAL PROPERTIES DATA BANK (KDB). Data Bank. Retrieved August 04, 2013, from: http://www.cheric.org/research/kdb/ KUMAR, S.; SINGH, N.; PRASAD, R. Anhydrous ethanol: a renewable source of energy. Renew. Sust. Energ. Rev., v. 14, p. 1830 – 1844, 2010.
  • [17] LEI, Z.; et al. Predictive molecular thermodynamics models for liquids solvents, solid salts, polymers, and ionic liquids. Chem. Rev., v. 108, p. 1419 – 1455, 2008.
  • [18] LIGERO, E. L.; RAVAGNANI, T. M. K. Dehydration of ethanol with salt extractive distillation – a comparative analysis between processes with salt recovery. Chem. Eng. Process., v. 42, p. 543 – 552, 2003.
  • [19] LLANO-RESTREPO, M.; AGUILAR-ARIAS, J. Modeling and simulation of saline extractive distillation columns for the production of absolute ethanol. Comput. Chem. Eng., v. 27, p. 527 – 549, 2003.
  • [20] MATUGI, K. Produção de etanol anidro por destilação extrativa utilizando soluções salinas e glicerol. Dissertação (Mestrado) — Universidade Federal de São Carlos, 2013.
  • [21] MERANDA, D.; FUTER, W. F. Vapor-liquid equilibrium data for system: Ethanol-water saturated with potassium acetate. Can. J. Chem. Eng., v. 44, p. 298 – 300, 1966.
  • [22] MOCK, B., EVANS, L.B. and CHEN, C.C. Thermodynamic Representation of Phase Equilibrium of Mixed Solvent Electrolyte Systems.AIChE J., v. 32, p. 1655-1664, 1986). NISHI, Y. Vapor-liquid equilibrium relations for the system accompanied by hypothetical chemical reactions containing salts. J. Chem. Eng. Jpn., v. 8, p. 187 – 191, 1975.
  • [23] PINTO, R. T. P.; WOLF-MACIEL, M. R.; LINTOMEN, L. Saline extractive distillation process for ethanol purification. Comput. Chem. Eng., v. 24, p. 1689 – 1694, 2000.
  • [24] REDLICH, O and KWONG, J.N.S. On the thermodynamics of solutions. V. An equation of state. Fugacities of gaseous solutions. Chem. Rev., v. 44, n. 1, p. 233-244, 1949.
  • [25] RENON, H.; PRAUSNITZ, J. M.Local compositions in thermodynamic excess functions for liquid mixtures. AIChE J., v. 14, n. 1, p. 135 – 144, 1968.
  • [26] SCHMITT, D. The influence of salts on vapor-liquid equilibrium of binary mixtures and the distillation of azeotropic mixtures with addition of salts. Ph. D. Thesis. Universityof Karlsruhe, Germany, 1975.
  • [27] YAN, W.; et al. Prediction of vapor-liquid equilibria in mixed-solvent electrolyte systems using the group contribution concept. Fluid Phase Equilibr., v. 162, p. 97 – 113, 1999.
Como citar:

MATUGI, K.; GIORDANO, R. C.; "Comparative work about UNIFAC based models for hydroalcoholic systems with electrolytes", p. 15388-15396 . In: Anais do XX Congresso Brasileiro de Engenharia Química - COBEQ 2014 [= Blucher Chemical Engineering Proceedings, v.1, n.2]. São Paulo: Blucher, 2015.
ISSN 2359-1757, DOI 10.5151/chemeng-cobeq2014-1001-21797-173363

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