Generalized Pitzer Correlation for Density Calculations of Ionic Liquids

  • Jesus Patrick E. Nuqui Chemical Engineering Department, Gokongwei College of Engineering, De La Salle University, 2401 Taft Avenue, Malate, Manila 1004 Philippines
  • Regina G. Damalerio 1Chemical Engineering Department, Gokongwei College of Engineering, De La Salle University, 2401 Taft Avenue, Malate, Manila 1004 Philippines
  • Sychheng Meas 1Chemical Engineering Department, Gokongwei College of Engineering, De La Salle University, 2401 Taft Avenue, Malate, Manila 1004 Philippines
  • Socheata Yem Chemical Engineering Department, Gokongwei College of Engineering, De La Salle University, 2401 Taft Avenue, Malate, Manila 1004 Philippines
  • Allan N Soriano Chemical Engineering Department, Gokongwei College of Engineering, De La Salle University, 2401 Taft Avenue, Malate, Manila 1004 Philippines
Keywords: ionic liquids, generalized Pitzer correlation, MATLAB simulation, virial coefficients, average absolute deviation

Abstract

The density of ionic liquids is an important design parameter for its utilization as a chemical process solvent. In this study, a generalized Pitzer-type correlation for calculating the density of ionic liquids with the use of reduced temperature (TR), reduced pressure (PR), and acentric factor (ω) as parameters is proposed. Experimental density data were obtained from several references through the IUPAC Ionic Liquids Database. Expansion of the terms as well as integrating the ionic liquid molecular weight was attempted to determine the accuracy improvement of the model in predicting densities at 0.1 MPa. Then, the obtained model was modified by further truncation to include the pressure effects for densities at higher pressures. MATLAB software was used to determine the optimal virial coefficients for the proposed correlations. The percent average absolute deviation (%AAD) was applied to calculate the variation between the experimental and calculated density values. It was concluded that the eight (8) coefficient correlation equation with molecular weight for densities at 0.1 MPa had a %AAD of 4.7537%. Upon modifying the correlation to include pressure effects, the resulting modified equation had an overall %AAD of 4.7174%.

References

1. Canales, R.I., Brennecke, J.F. (2016). “Comparison of Ionic Liquids to Conventional Organic Solvents for Extraction of Aromatics from Aliphatics,” J. Chem. Eng. Data, 61(5), 1685-1699.
2. Chang, C.H-., Zhao, X. (1990). “A new generalized equation for predicting volumes of compressed liquids,” Fluid Phase Equilib., 58, 231-238.
3. Delgado-Mellado, N., Ayuso, M., García, J., Rodríguez, F. (2019). “Developing a new correlation for the aliphatic and aromatic hydrocarbon diffusion coefficients at infinite dilution in ionic liquids,” J. Mol. Liq., 296, 111857.
4. Hankinson, R.W., Thomson, G.H. (1979). “A new correlation for saturated densities of liquids and their mixtures,” AIChE J., 25, 653-663.
5. IUPAC Ionic Liquids Database (ILThermo), N. S. R. D. Available online: https://ilthermo.boulder.nist.gov/.
6. Khashayar, N., Mahmood, M. (1998). “A saturated liquid density equation in conjunction with the Predictive-Soave-Redlich-Kwong equation of state for pure refrigerants and LNG multicomponent systems,” Fluid Phase Equilib., 153, 231.
7. Keshavarz, M.H., Pouretedal, H.R., and Saberi, E. (2016). “A simple method for prediction of density of ionic liquids through their molecular structure,” J. Mol. Liq., 216, 732-737.
8. Mesbah, M. and Bahadori, A. (2016). Equation of State. In A. Bahadori (Ed.), Equation of State. Fluid Phase Behavior for Conventional and Unconventional Oil and Gas Reservoirs (pp. 99-101). Oxford: Gulf Professional Publishing.
9. Nasrifar, K. and Moshifeghian, M. (1998). “A saturated liquid density equation in conjunction with the predictive-Soave-Redlich-Kwong equation of state for pure refrigerants and LNG multicomponent systems,” Fluid Phase Equilib., 153, 231-242.
10. Onnes, H.K. (1902). “Expression of the equation of state of gases and liquids by means of series,” In: KNAW, Proceedings.
11. Patel, N.K., Joshipura, M.H. (2013). “Generalized PSRK model for prediction of liquid density of ionic liquids,” Procedia Eng., 51, 386-394.
12. Pitzer, K.S., Lippmann, D.Z., Curl Jr., R., Huggins, C.M., and Petersen, D.E. (1955). The volumetric and thermodynamic properties of fluids. II. Compressibility factor, vapor pressure and entropy of vaporization 1. J. Am. Chem. Soc., 77 (13), 3433e3440.
13. Privat, R., Privat, Y., and Jaubert, J-.N. (2009). “Can cubic equations of state be recast in the virial form?,” Fluid Phase Equilib., 282, 38 – 50.
14. Rackett, H.G. (1970). “Equation of state for saturated liquids,” J. Chem. Eng. Data., 15 (4), 514-517.
15. Roshan, N., and Ghader, S. (2012). “Developing models for correlating ionic liquids density : Part 1 – Density at 0.1 MPa,” Fluid Phase Equilib., 331, 33-47.
16. Roshan, N., and Ghader, S. (2013). “Developing models for correlating ionic liquids density : Part 2 – Density at high pressures,” Fluid Phase Equilib., 358, 172-188.
17. Rostami, A., Baghban, A., Shirazian, S. (2019). “On the evaluation of density of ionic liquids: towards a comparative study,” Chem. Eng. Res. Des., 147, 648-663.
18. Shariati, A., Ashrafmansouri, S.-S., Osbuei, M.H., and Hooshdaran, B. (2013). “Critical properties and acentric factors of ionic liquids,” Korean J. Chem. Eng., 30(1), 187-193.
19. Thomson, G.H., Brobst, K.R., Hankinson, R.W. (1982). “An improved correlation for densities of compressed liquids and liquid mixtures,” AIChE J., 28, 671-676.
20. Valderrama, J.O., Sanga, W.W., and Lazzús, J.A. (2008). “Critical properties, normal boiling temperature, and acentric factor of another ionic liquids,” Ind. Eng. Chem. Res., 47, 1318-1330.
21. Valderrama, J.O., Reátegui, A., Rojas, R.E. (2009). “Density of Ionic Liquids Using Group Contribution and Artificial Neural Networks,” Ind. Eng. Chem. Res., 48, 3254-3259.
22. Yamada, T., Gunn, R.D. (1973). “Saturated liquid molar volumes. Rackett equation,” J. Chem. Eng. Data., 18, 234-236.
23. Yen, L.C., Woods, S.S. (1966). “A generalized equation for computer calculation of liquid densities,” AIChE J., 12, 95-99.
24. Zarei, A., Nasrifar, K., and Partoon, B. (2019). “Generalized correlations for calculating the density of ionic liquids at 0.1 MPa and higher pressures,” J. Mol. Liq., 282, 131-141.
25. Zohuri, B. (2018). Chapter 2 – Properties of Pure Substances. In Zohuri, B. (Ed.). Physics of Cryogenics (pp. 53-79). doi: 10.1016/B978-0-12-814519-7.00002-1.
Published
2021-06-30
How to Cite
Nuqui, J. P. E., Damalerio, R. G., Meas, S., Yem, S., & Soriano, A. N. (2021). Generalized Pitzer Correlation for Density Calculations of Ionic Liquids. ASEAN Journal of Chemical Engineering, 21(1), 38-51. Retrieved from https://jurnal.ugm.ac.id/v3/AJChE/article/view/9147
Issue
Vol 21 No 1 (2021)
Section
Articles

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