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UNIFAC yöntemi kullanılarak etilasetat-etanol sistemi için izotermal buhar-sıvı dengesi kestirimi

Year 2021, Issue: 22, 293 - 299, 31.01.2021
https://doi.org/10.31590/ejosat.849857

Abstract

Çözücü ve çözücü karışımları birçok sanayii dalında yaygın olarak kullanılmaktadır. Çözücüler arasında esterler ve alkollerin endüstriyel ve bilimsel önemi nedeniyle bunların ikili karışımları üzerine çok sayıda araştırma yapılmıştır. Asetik asidin Fischer esterleştirme reaksiyonu ve etanol dehidrojenasyon yöntemiyle üretilebilen ve önemli bir çözücü olan etil asetat kimya endüstrisinde yaygın olarak kullanılmaktadır. Etil asetat tüm bileşimlerde etanol ile karışabilen bir organik çözücüdür ve etil asetat ve etanol karışımı atmosfer basıncında geleneksel distilasyon ile ayrılamayan bir minimum azeotrop oluşturur. Etilasetat saflaştırma işleminde, birkaç ikili ve üçlü azeotroplar oluşmaktadır.
Sıvı karışımındaki bileşenlerin aktivite katsayılarının kestiriminin yapılması, buhar-sıvı dengesi (VLE) gibi faz dengesi hesaplamalarında çok önemlidir. Sıvı karışımların termodinamik özelliklerinin kestirimi, distilasyon, ekstraksiyon veya absorpsiyon gibi kimyasal üretim ekipmanlarının tasarımı için gereklidir. Bu nedenle, sıvı karışım özelliklerini, özellikle aşırı Gibbs enerjisinin (GE) kestirimi için doğru modellere ihtiyaç duyulmaktadır. En iyi ve umut verici yaklaşımlardan biri, hem faz dengesinin parametrelerini hem de farklı fizikokimyasal nitelikteki sistemlerin termokimyasal özelliklerini tahmin etmek için uygulanabilen UNIFAC (UNIQUAC Fonksiyonel Grup Aktivite Katsayıları) modelidir.
Bu çalışmada, etilasetat-etanol sisteminin 298,15 K, 313,15 K ve 323,15 K sıcaklıklarda izotermal buhar-sıvı denge hesaplamaları gerçekleştirilmiştir. UNIFAC yöntemi kullanılarak aktivite katsayılarının kestirimi yapılmış ve aşırı Gibbs enerjileri bulunarak ikili etkileşim parametreleri hesaplanmıştır. İkili karışımda sıcaklığın artışıyla birlikte aktivite katsayısı ve ikili etkileşim parametresi azalırken, etilasetat konsantrasyonu artışıyla birlikte aktivite katsayısı azalırken ikili etkileşim parametresi artmaktadır. Pozitif aşırı Gibbs enerjisi değerlerine sahip etilasetat-etanol sistemi Raoult yasasından pozitif sapma sergilemektedir.

References

  • Abraham, T., Bery, V., & Kudchadker, P. (1971). Densities of some substances. Journal of Chemical and Engineering Data, 16(3), 355-356.
  • Barton, A.F.M. (1975). Solubility parameters. Chemical Reviews, 75, 731-753.
  • Dean, J.A. (1999). Lange's Handbook of Chemistry, USA: McGraw-Hill.
  • Fredenslund, A., Jones, R.L., & Prausnitz, J.M. (1975). Group-contribution estimation of activity coefficients in nonideal liquid mixtures. AlChE Journal, 21(6), 1086-1099.
  • Furnas, C.C., & Leighton, W.B. (1937). Ethyl alcohol-ethyl acetate and acetic acid-ethyl acetate systems. Industrial and Engineering Chemistry, 29(6), 709-710.
  • Ghanadzadeh, A., Ghanadzadeh, H., & Alinejad, M. (2012). Dielectric study on polar binary mixtures of (ester-alcohol) at 298.2 K. Iranian Journal of Chemical Engineering, 9(3), 22-30.
  • Gmehling, J., Rasmussen, P., & Fredenslund, A. (1982). Vapor-liquid equilibria by UNIFAC group contribution. Revision and extension. 2. Industrial & Engineering Chemistry Process Design Development, 21, 118-127.
  • Huang, J.-F., & Lee, L.-S. (1996). Simultaneous estimation of excess enthalpy, excess Gibbs energy and vapor-liquid equilibrium using the modified Wilson model. Fluid Phase Equilibria, 121, 27-43.
  • Khasanshin, T.S., & Aleksandrov, A.A. (1984). Thermodynamics properties of ethanol at atmospheric pressure. Journal of Engineering Physics, 47, 1046-1052.
  • Kobuchi, S., Takakura, K., Yonezawa, S., Fukuchi, K., & Arai, Y. (2013). Prediction of vapor–liquid equilibria of binary systems containing esters by using Wilson equation with parameters estimated from pure-component properties. Fluid Phase Equilibria, 352, 114– 117.
  • Letyanina, I., Tsvetov, N., Toikka, A. (2016). Application of the UNIFAC models for prediction and description of excess molar enthalpies for binary mixtures of n-propanol, acetic acid, n-propyl acetate, and water. Fluid Phase Equilibria, 427, 202-208.
  • Mackay, D., Shiu, W.Y., Ma, K.-C., & Lee, S.C. (2006). Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals. Volume III, 2nd ed., CRC Press, USA: Taylor &Francis.
  • Mulder, M.H.V., & Smolders, C.A. (1986). Pervaporation, solubility aspects of the solution-diffusion model. Separation & Purification Technology, 15, 1-19.
  • Mulder, M.H.V., Franken, T., & Smolders, C.A. (1985). Preferential sorption versus preferential permeability in pervaporation. Journal of Membrane Science, 22, 155-173.
  • Murti, P.S., & Van Winkle, M. (1958). Vapor-liquid equilibria for binary systems of methanol, ethyl alcohol, 1-propanol, and 2-propanol with ethyl acetate and 1-propanol-water. Industrial and Engineering Chemistry, 3(1), 72-81.
  • Nagata, I., Yamada, T., & Nakagawa, S. (1975). Excess Gibbs free energies and heats of mixing for binary systems ethyl acetate with methanol, ethanol, 1-propanol, and 2-propanol. Journal of Chemical and Engineering Data, 20(3), 271-275.
  • Nijhius, H.H., Mulder, M.H.V., & Smolders, C.A. (1993). Selection of elastomeric membranes for the removal of volatile organics from water. Journal of Applied Polymer Science, 47, 2227-2243.
  • Ortega, J., Pena, J.A., & de Alfonso, C. (1986). Isobaric vapor-liquid equilibria of ethylacetate mixtures at 760  0.5 mmHg. Journal of Chemical and Engineering Data, 31, 339-342.
  • Parsana V.M., & Parikh S.P. (2015). Vapor-liquid equilibrium data prediction by advanced group contribution methods for a binary system of cyclopentyl methyl ether and acetic acid at atmospheric pressure. Research Journal of Chemical Sciences, 5(6), 64-72.
  • Pattanaik, B.N., & Mandalia, H.C. (2011). Ethylacetate: properties, production processes and applications-a review. International Journal of Current Research and Review, 3(12), 23-40.
  • Poling, B.E., Prausnitz, J.M. & O'Connell, J.P. (2001). The Properties of Gases and Liquids. NewYork: McGraw-Hill.
  • Resa, J. M., González, C., Goenaga, J. M., & Iglesias, M. (2004). Temperature dependence of excess molar volumes of ethanol + water + ethyl acetate. Journal of Solution Chemistry, 33(2), 169-198.
  • Rhim, J.-W. & Huang, R.Y.M. (1989). On the prediction of separation factor and permeability in the separation of binary mixtures by pervaporation. Journal of Membrane Science, 46, 335-348.
  • Ruidiaz, M.A., Vargas, E.F., & Martínez, F. (2010). Study of some volumetric properties of the pharmaceutical model solvent system ethanol + ethyl acetate at several temperatures. Latin American Journal of Pharmacy, 29(2), 306-312.
  • Sandler, S.I. (2017). Kimya, Biyokimya ve Mühendislik Termodinamiği. (Çev. Sinan Yapıcı). İzmir: İzmir Güven Kitabevi. (Kitabın Orijinal Basımı 2006).
  • Susial, P., Sosa-Rosario, A., Rodriguez-Henriquez, J.J., & Rios-Santana, R. (2011). Vapor pressures and VLE data measurements. ethyl acetate+ethanol at 0.1, 0.5 and 0.7 MPa binary system. Journal of Chemical Engineering of Japan, 44(3), 155-163.
  • Xia, S., Wei, W., Liu, G., Dong, X., & Jin, W. (2012). Pervaporation properties of polyvinyl alcohol/ceramic composite membrane for separation of ethyl acetate/ethanol/water ternary mixtures. Korean Journal of Chemical Engineering, 29(2), 228-234.
  • Zhang, D.L., Deng, Y.F., Li, C.B., & Chen, J. (2008). Separation of ethyl acetate-ethanol azeotropic mixture using hydrophilic ionic liquids. Industrial& Engineering Chemistry Research, 47, 1995-2001.
  • Zhang, X.H., Liu, Q.L., Xiong, Y., Zhu, A.M., Chen, Y., & Zhang, Q.G. (2009). Pervaporation dehydration of ethyl acetate/ethanol/water azeotrope using chitosan/poly (vinyl pyrrolidone) blend membranes. Journal of Membrane Science, 327, 274–280.
  • Zhang, Z., Wu, K., Zhang, Q., Zhang, T., Zhang, D., Yang, R. & Li, W. (2017). Separation of ethyl acetate and ethanol azeotrope mixture using dialkylphosphates-based ionic liquids as entrainers. Fluid Phase Equilibria, 454, 91-98.

Prediction of Isothermal Vapor-Liquid Equilibria for the Ethylacetate-Ethanol System using UNIFAC Method

Year 2021, Issue: 22, 293 - 299, 31.01.2021
https://doi.org/10.31590/ejosat.849857

Abstract

References

  • Abraham, T., Bery, V., & Kudchadker, P. (1971). Densities of some substances. Journal of Chemical and Engineering Data, 16(3), 355-356.
  • Barton, A.F.M. (1975). Solubility parameters. Chemical Reviews, 75, 731-753.
  • Dean, J.A. (1999). Lange's Handbook of Chemistry, USA: McGraw-Hill.
  • Fredenslund, A., Jones, R.L., & Prausnitz, J.M. (1975). Group-contribution estimation of activity coefficients in nonideal liquid mixtures. AlChE Journal, 21(6), 1086-1099.
  • Furnas, C.C., & Leighton, W.B. (1937). Ethyl alcohol-ethyl acetate and acetic acid-ethyl acetate systems. Industrial and Engineering Chemistry, 29(6), 709-710.
  • Ghanadzadeh, A., Ghanadzadeh, H., & Alinejad, M. (2012). Dielectric study on polar binary mixtures of (ester-alcohol) at 298.2 K. Iranian Journal of Chemical Engineering, 9(3), 22-30.
  • Gmehling, J., Rasmussen, P., & Fredenslund, A. (1982). Vapor-liquid equilibria by UNIFAC group contribution. Revision and extension. 2. Industrial & Engineering Chemistry Process Design Development, 21, 118-127.
  • Huang, J.-F., & Lee, L.-S. (1996). Simultaneous estimation of excess enthalpy, excess Gibbs energy and vapor-liquid equilibrium using the modified Wilson model. Fluid Phase Equilibria, 121, 27-43.
  • Khasanshin, T.S., & Aleksandrov, A.A. (1984). Thermodynamics properties of ethanol at atmospheric pressure. Journal of Engineering Physics, 47, 1046-1052.
  • Kobuchi, S., Takakura, K., Yonezawa, S., Fukuchi, K., & Arai, Y. (2013). Prediction of vapor–liquid equilibria of binary systems containing esters by using Wilson equation with parameters estimated from pure-component properties. Fluid Phase Equilibria, 352, 114– 117.
  • Letyanina, I., Tsvetov, N., Toikka, A. (2016). Application of the UNIFAC models for prediction and description of excess molar enthalpies for binary mixtures of n-propanol, acetic acid, n-propyl acetate, and water. Fluid Phase Equilibria, 427, 202-208.
  • Mackay, D., Shiu, W.Y., Ma, K.-C., & Lee, S.C. (2006). Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals. Volume III, 2nd ed., CRC Press, USA: Taylor &Francis.
  • Mulder, M.H.V., & Smolders, C.A. (1986). Pervaporation, solubility aspects of the solution-diffusion model. Separation & Purification Technology, 15, 1-19.
  • Mulder, M.H.V., Franken, T., & Smolders, C.A. (1985). Preferential sorption versus preferential permeability in pervaporation. Journal of Membrane Science, 22, 155-173.
  • Murti, P.S., & Van Winkle, M. (1958). Vapor-liquid equilibria for binary systems of methanol, ethyl alcohol, 1-propanol, and 2-propanol with ethyl acetate and 1-propanol-water. Industrial and Engineering Chemistry, 3(1), 72-81.
  • Nagata, I., Yamada, T., & Nakagawa, S. (1975). Excess Gibbs free energies and heats of mixing for binary systems ethyl acetate with methanol, ethanol, 1-propanol, and 2-propanol. Journal of Chemical and Engineering Data, 20(3), 271-275.
  • Nijhius, H.H., Mulder, M.H.V., & Smolders, C.A. (1993). Selection of elastomeric membranes for the removal of volatile organics from water. Journal of Applied Polymer Science, 47, 2227-2243.
  • Ortega, J., Pena, J.A., & de Alfonso, C. (1986). Isobaric vapor-liquid equilibria of ethylacetate mixtures at 760  0.5 mmHg. Journal of Chemical and Engineering Data, 31, 339-342.
  • Parsana V.M., & Parikh S.P. (2015). Vapor-liquid equilibrium data prediction by advanced group contribution methods for a binary system of cyclopentyl methyl ether and acetic acid at atmospheric pressure. Research Journal of Chemical Sciences, 5(6), 64-72.
  • Pattanaik, B.N., & Mandalia, H.C. (2011). Ethylacetate: properties, production processes and applications-a review. International Journal of Current Research and Review, 3(12), 23-40.
  • Poling, B.E., Prausnitz, J.M. & O'Connell, J.P. (2001). The Properties of Gases and Liquids. NewYork: McGraw-Hill.
  • Resa, J. M., González, C., Goenaga, J. M., & Iglesias, M. (2004). Temperature dependence of excess molar volumes of ethanol + water + ethyl acetate. Journal of Solution Chemistry, 33(2), 169-198.
  • Rhim, J.-W. & Huang, R.Y.M. (1989). On the prediction of separation factor and permeability in the separation of binary mixtures by pervaporation. Journal of Membrane Science, 46, 335-348.
  • Ruidiaz, M.A., Vargas, E.F., & Martínez, F. (2010). Study of some volumetric properties of the pharmaceutical model solvent system ethanol + ethyl acetate at several temperatures. Latin American Journal of Pharmacy, 29(2), 306-312.
  • Sandler, S.I. (2017). Kimya, Biyokimya ve Mühendislik Termodinamiği. (Çev. Sinan Yapıcı). İzmir: İzmir Güven Kitabevi. (Kitabın Orijinal Basımı 2006).
  • Susial, P., Sosa-Rosario, A., Rodriguez-Henriquez, J.J., & Rios-Santana, R. (2011). Vapor pressures and VLE data measurements. ethyl acetate+ethanol at 0.1, 0.5 and 0.7 MPa binary system. Journal of Chemical Engineering of Japan, 44(3), 155-163.
  • Xia, S., Wei, W., Liu, G., Dong, X., & Jin, W. (2012). Pervaporation properties of polyvinyl alcohol/ceramic composite membrane for separation of ethyl acetate/ethanol/water ternary mixtures. Korean Journal of Chemical Engineering, 29(2), 228-234.
  • Zhang, D.L., Deng, Y.F., Li, C.B., & Chen, J. (2008). Separation of ethyl acetate-ethanol azeotropic mixture using hydrophilic ionic liquids. Industrial& Engineering Chemistry Research, 47, 1995-2001.
  • Zhang, X.H., Liu, Q.L., Xiong, Y., Zhu, A.M., Chen, Y., & Zhang, Q.G. (2009). Pervaporation dehydration of ethyl acetate/ethanol/water azeotrope using chitosan/poly (vinyl pyrrolidone) blend membranes. Journal of Membrane Science, 327, 274–280.
  • Zhang, Z., Wu, K., Zhang, Q., Zhang, T., Zhang, D., Yang, R. & Li, W. (2017). Separation of ethyl acetate and ethanol azeotrope mixture using dialkylphosphates-based ionic liquids as entrainers. Fluid Phase Equilibria, 454, 91-98.
There are 30 citations in total.

Details

Primary Language Turkish
Subjects Engineering
Journal Section Articles
Authors

Yavuz Salt 0000-0002-1375-6953

Publication Date January 31, 2021
Published in Issue Year 2021 Issue: 22

Cite

APA Salt, Y. (2021). UNIFAC yöntemi kullanılarak etilasetat-etanol sistemi için izotermal buhar-sıvı dengesi kestirimi. Avrupa Bilim Ve Teknoloji Dergisi(22), 293-299. https://doi.org/10.31590/ejosat.849857