Articles
Prediction of the vapor-liquid equilibrium of the ethyl acetate-ethanol mixture using the Peng Robinson EOS
Germán Gonzalez-Silva- Jesús Botett-Cervantes
- Natalia Prieto-Jiménez
Published 2020-11-05
Keywords
- vapor-liquid equilibrium,
- fugacity coefficient,
- activity coefficient,
- Peng Robinson,
- Van Laar
- azeotrope ...More
How to Cite
Gonzalez-Silva, G., Botett-Cervantes, J., & Prieto-Jiménez, N. (2020). Prediction of the vapor-liquid equilibrium of the ethyl acetate-ethanol mixture using the Peng Robinson EOS. Revista UIS Ingenierías, 20(1), 135–142. https://doi.org/10.18273/revuin.v20n1-2021012
Copyright (c) 2020 Revista UIS Ingenierías
This work is licensed under a Creative Commons Attribution-NoDerivatives 4.0 International License.
Abstract
This article aims to show the prediction of vapor-liquid equilibrium of a not ideal mixture by thermodynamic models such as the Peng Robinson equation to calculate fugacity coefficients of the components in vapor state and Van Laar model to find activity coefficients of components in the liquid state. The results are validated by using the commercial simulator Aspen Plus and online calculator “VLE-Calc”, showing similar results with the experimental values of the binary mixture.
Downloads
Download data is not yet available.
References
1] M. L. Corazza, W. A. Fouad, W. G. Chapman, “PC-SAFT predictions of VLE and LLE of systems related to biodiesel production”, Fluid Phase Equilibria, vol. 416, pp. 130-137, 2016, doi: 10.1016/j.fluid.2015.09.044
[2] P. M. Mathias, “Effect of VLE uncertainties on the design of separation sequences by distillation – Study of the benzene–chloroform–acetone system”, Fluid Phase Equilibria, vol. 408, pp. 265-272, 2016, doi: 10.1016/j.fluid.2015.09.004
[3] G. González, N. Prieto, I. Mercado, “Large Eddy Simulation (LES) Aplicado a un lecho fluidizado gas–sólido. Parte I: Reactor a escala de laboratorio”, Revista UIS Ingenierías, vol. 17, no. 1, pp. 93-104, 2018, doi: 10.18273/revuin.v17n1-2018009
[4] G. González, N. P. Jiménez, O. F. Salazar, “Fluid Dynamics of Gas-Solid Fluidized Beds”, en Advanced Fluid Dynamics, 2012, pp. 39.
[5] S. I. Sandler, Models for Thermodynamic and Phase Equilibria Calculations. Taylor & Francis, Boca Raton, FL, USA: CRC Press, 1993.
[6] A. Zinser, K. Ye, L. Rihko-Struckmann, K. Sundmacher, “A Dynamic Method for Computing Thermodynamic Equilibria in Process Simulation”, en Computer Aided Chemical Engineering, vol. 37, Elsevier, 2015, pp. 299-304.
[7] N. P. Jiménez, G. G. Silva, “Comparative Study of Equations of State for the Dew Curves Calculation in High Pressure Natural Gas Mixtures”, Revista Logos Ciencia & Tecnología, vol. 11, no 1, pp. 152-164, 2019, doi: 10.22335/rlct.v11i2.743
[8] I. Mertl, “Liquid-vapour equilibrium. IL. Phase equilibria in the ternary system ethyl acetate-ethanol-water”, Collect. Czech. Chem. Commun., vol. 37, no. 2, pp. 366-374, 1972, doi: 10.1135/cccc19720366
[9] H. Kuramochi, K. Maeda, S. Kato, M. Osako, K. Nakamura, S. Sakai, “Application of UNIFAC models for prediction of vapor–liquid and liquid–liquid equilibria relevant to separation and purification processes of crude biodiesel fuel”, Fuel, vol. 88, no. 8, pp. 1472-1477, 2009, doi: 10.1016/j.fuel.2009.01.017
[10] I. R. Navarro-Espinosa, C. A. Cardona, J. A. López, “Experimental measurements of vapor–liquid equilibria at low pressure: Systems containing alcohols, esters and organic acids”, Fluid Phase Equilibria, vol. 287, no. 2, pp. 141-145, 2010, doi: 10.1016/j.fluid.2009.10.002
[11] J. Dhanalakshmi, P. S. T. Sai, A. R. Balakrishnan, “Effect of Inorganic Salts on the Isobaric Vapor–Liquid Equilibrium of the Ethyl Acetate–Ethanol System”, J. Chem. Eng. Data, vol. 58, no. 3, pp. 560-569, 2013, doi: 10.1021/je300886k
[12] J. G. Veneral et al., “Thermophysical properties of biodiesel and related systems: Low-pressure vapour–liquid equilibrium of methyl/ethyl Jatropha curcas biodiesel”, The Journal of Chemical Thermodynamics, vol. 60, pp. 46-51, 2013, doi: 10.1016/j.jct.2013.01.018
[13] P. Murti, M. Van Winkle, “Vapor-Liquid Equilibria for Binary Systems of Methanol, Ethyl Alcohol, 1-Propanol, and 2-Propanol with Ethyl Acetate and 1-Propanol-Water”, Ind. Eng. Chem. Chem. Eng. Data Series, vol. 3, no. 1, pp. 72-81, 1958, doi: 10.1021/i460003a016
[14] A. Randová et al., “Separation of azeotropic mixture acetone + hexane by using polydimethylsiloxane membrane”, Separation and Purification Technology, vol. 170, pp. 256-263, 2016, doi: 10.1016/j.seppur.2016.06.061
[15] S. Yuan, C. Zou, H. Yin, Z. Chen, W. Yang, “Study on the separation of binary azeotropic mixtures by continuous extractive distillation”, Chemical Engineering Research and Design, vol. 93, pp. 113-119, 2015, doi: 10.1016/j.cherd.2014.05.005
[16] A. Iqbal, S. A. Ahmad, “Pressure swing distillation of azeotropic mixture – A simulation study”, Perspectives in Science, vol. 8, pp. 4-6, 2016, doi: 10.1016/j.pisc.2016.01.001
[17] L. E. Øi, J. Hovland, “Simulation of Condensation in Compressed Raw Biogas Using Aspen HYSYS”, en Linköping Electronic Conference Proceedings, 2018, pp. 31-36, doi: 10.3384/ecp1815331
[18] D. F. Samayoa Alvarado, “Desarrollo de un sistema tutorial inteligente (STI) de procesos de destilación utilizando los programas Simulis Thermodynamics V.2.0. y Aspen Hysys V.8.0.”, tesis de grado, Universidad de San Carlos de Guatemala, 2018.
[19] K. Darkwah, S. E. Nokes, J. R. Seay, B. L. Knutson, “Mechanistic simulation of batch acetone–butanol–ethanol (ABE) fermentation with in situ gas stripping using Aspen Plus TM”, Bioprocess Biosyst Eng, vol. 41, no. 9, pp. 1283-1294, 2018, doi: 10.1007/s00449-018-1956-6.
[20] D. Singh, R. K. Gupta, V. Kumar, “Experimental studies of industrial-scale reactive distillation finishing column producing Ethyl acetate”, Industrial and Engineering Chemistry Research, vol. 53, no. 25, pp. 10448-10456, 2014, doi: 10.1021/ie404443g
[21] A. Hasanoğlu, Y. Salt, S. Keleşer, S. Özkan, S. Dinçer, “Pervaporation separation of ethyl acetate–ethanol binary mixtures using polydimethylsiloxane membranes”, Chemical Engineering and Processing: Process Intensification, vol. 44, no. 3, pp. 375-381, mar. 2005, doi: 10.1016/j.cep.2004.06.001
[22] B. E. Poling, J. M. Prausnitz, J. O. Connell, The Properties of Gases and Liquids, 5.a ed. New York, NY, USA: McGraw-Hill Professional, 2000.
[23] H. G. Rackett, “Equation of state for saturated liquids”, J. Chem. Eng. Data, vol. 15, no. 4, pp. 514-517, oct. 1970, doi: 10.1021/je60047a012
[24] J. M. Smith, H. C. V. Ness, M. M. Abbott, Introduction to Chemical Engineering Thermodynamics, 7th Edition. Boston, MA, USA: McGraw Hill Higher Education, 2005.
[25] G. Figurski, S. K. Malanowski, “Vapor–liquid equilibrium studies of the ethanol+ethyl acetate system”, Fluid Phase Equilibria, vol. 148, no. 1-2, pp. 161-169, 1998, doi: 10.1016/S0378-3812(97)00341-5
[2] P. M. Mathias, “Effect of VLE uncertainties on the design of separation sequences by distillation – Study of the benzene–chloroform–acetone system”, Fluid Phase Equilibria, vol. 408, pp. 265-272, 2016, doi: 10.1016/j.fluid.2015.09.004
[3] G. González, N. Prieto, I. Mercado, “Large Eddy Simulation (LES) Aplicado a un lecho fluidizado gas–sólido. Parte I: Reactor a escala de laboratorio”, Revista UIS Ingenierías, vol. 17, no. 1, pp. 93-104, 2018, doi: 10.18273/revuin.v17n1-2018009
[4] G. González, N. P. Jiménez, O. F. Salazar, “Fluid Dynamics of Gas-Solid Fluidized Beds”, en Advanced Fluid Dynamics, 2012, pp. 39.
[5] S. I. Sandler, Models for Thermodynamic and Phase Equilibria Calculations. Taylor & Francis, Boca Raton, FL, USA: CRC Press, 1993.
[6] A. Zinser, K. Ye, L. Rihko-Struckmann, K. Sundmacher, “A Dynamic Method for Computing Thermodynamic Equilibria in Process Simulation”, en Computer Aided Chemical Engineering, vol. 37, Elsevier, 2015, pp. 299-304.
[7] N. P. Jiménez, G. G. Silva, “Comparative Study of Equations of State for the Dew Curves Calculation in High Pressure Natural Gas Mixtures”, Revista Logos Ciencia & Tecnología, vol. 11, no 1, pp. 152-164, 2019, doi: 10.22335/rlct.v11i2.743
[8] I. Mertl, “Liquid-vapour equilibrium. IL. Phase equilibria in the ternary system ethyl acetate-ethanol-water”, Collect. Czech. Chem. Commun., vol. 37, no. 2, pp. 366-374, 1972, doi: 10.1135/cccc19720366
[9] H. Kuramochi, K. Maeda, S. Kato, M. Osako, K. Nakamura, S. Sakai, “Application of UNIFAC models for prediction of vapor–liquid and liquid–liquid equilibria relevant to separation and purification processes of crude biodiesel fuel”, Fuel, vol. 88, no. 8, pp. 1472-1477, 2009, doi: 10.1016/j.fuel.2009.01.017
[10] I. R. Navarro-Espinosa, C. A. Cardona, J. A. López, “Experimental measurements of vapor–liquid equilibria at low pressure: Systems containing alcohols, esters and organic acids”, Fluid Phase Equilibria, vol. 287, no. 2, pp. 141-145, 2010, doi: 10.1016/j.fluid.2009.10.002
[11] J. Dhanalakshmi, P. S. T. Sai, A. R. Balakrishnan, “Effect of Inorganic Salts on the Isobaric Vapor–Liquid Equilibrium of the Ethyl Acetate–Ethanol System”, J. Chem. Eng. Data, vol. 58, no. 3, pp. 560-569, 2013, doi: 10.1021/je300886k
[12] J. G. Veneral et al., “Thermophysical properties of biodiesel and related systems: Low-pressure vapour–liquid equilibrium of methyl/ethyl Jatropha curcas biodiesel”, The Journal of Chemical Thermodynamics, vol. 60, pp. 46-51, 2013, doi: 10.1016/j.jct.2013.01.018
[13] P. Murti, M. Van Winkle, “Vapor-Liquid Equilibria for Binary Systems of Methanol, Ethyl Alcohol, 1-Propanol, and 2-Propanol with Ethyl Acetate and 1-Propanol-Water”, Ind. Eng. Chem. Chem. Eng. Data Series, vol. 3, no. 1, pp. 72-81, 1958, doi: 10.1021/i460003a016
[14] A. Randová et al., “Separation of azeotropic mixture acetone + hexane by using polydimethylsiloxane membrane”, Separation and Purification Technology, vol. 170, pp. 256-263, 2016, doi: 10.1016/j.seppur.2016.06.061
[15] S. Yuan, C. Zou, H. Yin, Z. Chen, W. Yang, “Study on the separation of binary azeotropic mixtures by continuous extractive distillation”, Chemical Engineering Research and Design, vol. 93, pp. 113-119, 2015, doi: 10.1016/j.cherd.2014.05.005
[16] A. Iqbal, S. A. Ahmad, “Pressure swing distillation of azeotropic mixture – A simulation study”, Perspectives in Science, vol. 8, pp. 4-6, 2016, doi: 10.1016/j.pisc.2016.01.001
[17] L. E. Øi, J. Hovland, “Simulation of Condensation in Compressed Raw Biogas Using Aspen HYSYS”, en Linköping Electronic Conference Proceedings, 2018, pp. 31-36, doi: 10.3384/ecp1815331
[18] D. F. Samayoa Alvarado, “Desarrollo de un sistema tutorial inteligente (STI) de procesos de destilación utilizando los programas Simulis Thermodynamics V.2.0. y Aspen Hysys V.8.0.”, tesis de grado, Universidad de San Carlos de Guatemala, 2018.
[19] K. Darkwah, S. E. Nokes, J. R. Seay, B. L. Knutson, “Mechanistic simulation of batch acetone–butanol–ethanol (ABE) fermentation with in situ gas stripping using Aspen Plus TM”, Bioprocess Biosyst Eng, vol. 41, no. 9, pp. 1283-1294, 2018, doi: 10.1007/s00449-018-1956-6.
[20] D. Singh, R. K. Gupta, V. Kumar, “Experimental studies of industrial-scale reactive distillation finishing column producing Ethyl acetate”, Industrial and Engineering Chemistry Research, vol. 53, no. 25, pp. 10448-10456, 2014, doi: 10.1021/ie404443g
[21] A. Hasanoğlu, Y. Salt, S. Keleşer, S. Özkan, S. Dinçer, “Pervaporation separation of ethyl acetate–ethanol binary mixtures using polydimethylsiloxane membranes”, Chemical Engineering and Processing: Process Intensification, vol. 44, no. 3, pp. 375-381, mar. 2005, doi: 10.1016/j.cep.2004.06.001
[22] B. E. Poling, J. M. Prausnitz, J. O. Connell, The Properties of Gases and Liquids, 5.a ed. New York, NY, USA: McGraw-Hill Professional, 2000.
[23] H. G. Rackett, “Equation of state for saturated liquids”, J. Chem. Eng. Data, vol. 15, no. 4, pp. 514-517, oct. 1970, doi: 10.1021/je60047a012
[24] J. M. Smith, H. C. V. Ness, M. M. Abbott, Introduction to Chemical Engineering Thermodynamics, 7th Edition. Boston, MA, USA: McGraw Hill Higher Education, 2005.
[25] G. Figurski, S. K. Malanowski, “Vapor–liquid equilibrium studies of the ethanol+ethyl acetate system”, Fluid Phase Equilibria, vol. 148, no. 1-2, pp. 161-169, 1998, doi: 10.1016/S0378-3812(97)00341-5