Density, viscosity and refractive index prediction of binary and ternary mixtures systems of ionic liquid

Authors

  • Gonzalo Astray Dopazo Department of Physical Chemistry, Faculty of Science, University of Vigo at Ourense, Spain
  • Miriam Gonzalez-Temes Department of Physical Chemistry, Faculty of Science, University of Vigo at Ourense, Spain
  • Dina Larios Lopez Department of Geological Sciences, College of Arts and Sciences, Ohio University, Athens, United States of America
  • Juan Carlos Mejuto Department of Physical Chemistry, Faculty of Science, University of Vigo at Ourense, Spain

DOI:

https://doi.org/10.13171/mjc.3.4.2014.25.07.19

Abstract

Different artificial neural networks architectures were developed to predict the density, viscosity and refractive index of binary and ternary mixtures of ionic liquids using their individual properties. All neural network implemented were evaluated using the root mean square error (RMSE) and the average percentage deviations (APD) for the training and validation phase. The individual models implemented show great values of R2 (greater than 9.995∙10-01) and low errors in terms of RMSE, that corresponds with an APD less than 7.766∙10-02 %, with the exception of the model for the prediction of viscosity where the error raised to 3.338 %. The results show that the different individual artificial neural networks implemented are a useful tool to predict the density, viscosity and refractive index of binary and ternary mixtures of ionic liquids and with reasonably accuracy.  

References

- J. Wang and H. Wang, “Aggregation in Systems of Ionic Liquids†in Structures and Interactions of Ionic Liquids, Structure and Bonding 151, Springer, 2014

- J. O. Valderrama, A. Reátegui, and R. E. Rojas, Industrial and Engineering Chemistry Research, 2009, 48 (6), 3254-3259.

- A. P. Fröba, H. Kremer, and A. Leipertz, , Journal of Physical Chemistry B, 2008, 112 (39), 12420-12430.

- J. A. Lazzús, International Journal of Thermophysics, 2009, 30 (3), 883-909.

- A. E. Andreatta, A. Arce, E. Rodil, and A. Soto, Journal of Solution Chemistry, 2010, 39 (3), 371-383.

- A. Z. Hezave, S. Raeissi, and M. Lashkarbolooki, Industrial and Engineering Chemistry Research, 2012, 51 (29), 9886-9893.

- M. Kambic, R. Kalb, T. Tasner, and D. Lovrec, The Scientific World Journal, http://dx.doi.org/10.1155/2014/504762

- Process for Purifying Terephthalic Acid Using Ionic Liquids US 20130331603 A1

- R. L. Gardas, and J. A. P. Coutinho, AIChE Journal, 2009, 55 (5), 1274-1290.

- J. S. Wilkes, In Ionic Liquids in Synthesis; ed. by P. Wasserscheid and T. Welton; Wiley-VCH, 2002, pp. 2

- Y. Huang, Algorithms, 2009, 2 (3), 973-1007.

- M. D. Emami, and A. Eshghinejad Fard, Applied Mathematical Modelling, 2012, 36 (5), 2082-2093.

- K. T. Lee, W. C. Hung, and C. C. Meng, Water Resources Management, 2008, 22 (1), 67-82.

- A. S. Tawadrous, D. DeGagné, M. Pierce, and D. M. Ivars, International Journal for Numerical and Analytical Methods in Geomechanics, 2009, 33 (18), 1953-1962.

- C. E. Balas, M. L. Koç, and R. Tür, Applied Ocean Research, 2010, 32 (4), 425-433.

- F. Marini, Analytica Chimica Acta, 2009, 635 (2), 121-131.

- K. P. Singh, A. Basant, A. Malik, and G. Jain, Ecological Modelling, 2009, 220 (6), 888-895.

- E. C. Kumbur, K. V. Sharp, and M. M. Mench, Journal of Power Sources, 2008, 176 (1), 191-199.

- J. Xi, Y. Xue, Y. Xu, and Y. Shen, Food Chemistry, 2013, 141 (1), 320-326.

- R. Silipo, C. Marches, IEEE Transactions on Signal Processing, 1998, 46 (5), 1417-1425.

- S. L. Hung, C. Y. Kao, and J. C. Lee, Journal of Engineering Mechanics, 2000, 126 (8), 839-849.

- M. Sun, A. Stam, and R. E. Steuer, Computers and Operations Research, 2000, 27 (7-8), 601-620.

- A. Ozsunar, E. ArcaklIoglu, and F. Nusret Dur, Heat and Mass Transfer/Waerme- und Stoffuebertragung, 2009, 45 (4), 443-450.

- M. Fast, and T. Palmé, Energy, 2010, 35 (2), 1114-1120.

- P. Araujo, G. Astray, J.A. Ferrerio-Lage, J.C. Mejuto, J.A. Rodriguez-Suarez, and B. Soto, Journal of Environmental Monitoring, 2011, 13 (1), 35-41.

- G. Astray, J. X. Castillo, J. A. Ferreiro-Lage, J. F. Galvez, and J. C. Mejuto, Ciencia y Tecnologia Alimentaria, 2010, 8 (1), 79-86.

- G. Astray, F. J. Rodríguez-Rajo, J. A. Ferreiro-Lage, M. Fernández-González, V. Jato, and J. C. Mejuto, Journal of Environmental Monitoring, 2010, 12 (11), 2145-2152.

- B. JanÄić-Stojanović, D. Ivanović, A. Malenović, and M. Medenica, Talanta, 2009, 78 (1), 107-112.

- M. Lashkarbolooki, B. Vaferi, and M. R. Rahimpour, Fluid Phase Equilibria, 2011, 308 (1-2), 35-43.

- V. Yangali-Quintanilla, A. Verliefde, T. U. Kim, A. Sadmani, M. Kennedy, and G. Amy, Journal of Membrane Science, 2009, 342 (1-2), 251-262.

- G. Astray, P. V. Caderno, J. A. Ferreiro-Lage, J. F. Galvez, and J. C. Mejuto, Journal of Chemical and Engineering Data, 2010, 55 (9), 3542-3547.

- M. Lashkarbolooki, A. Z. Hezave, and A. Babapoor, Korean Journal of Chemical Engineering, 2013, 30 (1), 213-220.

- A. Z. Hezave, M. Lashkarbolooki, and S. Raeissi, Fluid Phase Equilibria, 2012, 314, 128-133.

- M. Lashkarblooki, A. Z. Hezave, A. M. Al-Ajmi, and S. Ayatollahi, Fluid Phase Equilibria, 2012, 326, 15-20.

- J. S. Torrecilla, C. Tortuero, J. C. Cancilla, and P. Díaz-Rodríguez, Talanta, 2013, 116, 122-126.

- A. E. Andreatta, A. Arce, E. Rodil, and A. Soto, Journal of Chemical and Engineering Data, 2009, 54 (3), 1022-1028.

- A. E. Andreatta, A. Arce, E. Rodil, and A. Soto, Journal of Chemical Thermodynamics, 2009, 41 (12), 1317-1323.

- A. Arce, E. Rodil, and A. Soto, Journal of Chemical and Engineering Data, 2006, 51 (4), 1453-1457.

- A. E. Andreatta, A. Arce, E. Rodil, and A. Soto, Fluid Phase Equilibria, 2010, 287 (2), 84-94.

- B. González, N. Calvar, E. Gómez, and A. Domínguez, Journal of Chemical Thermodynamics, 2008, 40 (8),. 1274-1281.

- E. Gómez, B. González, N., Calvar, and A. Domínguez, Journal of Chemical Thermodynamics, 2008, 40 (8), 1208-1216.

- E. Gómez, N. Calvar, I. Domínguez, and A. Domínguez, Physics and Chemistry of Liquids, 2006, 44 (4), 409-417.

- N. Calvar, E. Gómez, B. González, and A. Domínguez, Journal of Chemical and Engineering Data, 2007, 52 (6), 2529-2535.

- N. Calvar, B. González, A. Domínguez, and J. Tojo, Journal of Solution Chemistry, 2006, 35 (9), 1217-1225.

- B. González, N. Calvar, E. González, and A. Domínguez, Journal of Chemical and Engineering Data, 2008, 53, 881-887.

- J. O. Valderrama, and R.E. Rojas, Industrial & Engineering Chemistry Research, 2009, 48, 6890-6900.

- http://www.sigmaaldrich.com/

- G. Astray, J. F. Gálvez, J. C. Mejuto, O.A. Moldes, and I. Montoya, Journal of Computational Chemistry, 2013, 34 (5), 355-359.

- G. Astray, M.A. Iglesias-Otero, O. A. Moldes, and J.C. Mejuto, Tenside, Surfactants, Detergents, 2013, 50 (2), 118-124.

- G. Astray, O. A. Moldes, I.A. Montoya and J. C. Mejuto, Mediterr.J.Chem., 2012, 5, 221-231.

- G. Astray, M.A. Iglesias-Otero, J. Morales and J.C. Mejuto, Mediterr.J.Chem., 2012, 2(1), 388-400

- G. Cybenko, Mathematics of Control, Signals, and Systems, 1989, 2 (4), 303-314.

- P. F., Baldi, and K. Hornik, IEEE Transactions on Neural Networks, 1995, 6 (4), 837-858.

- T. Sorsa, H. N. Koivo, and H. Koivisto, IEEE Transactions on Systems, Man and Cybernetics, 1991, 21 (4), 815-825.

- S. Horikawa, T. Furuhashi, and Y. Uchikawa, IEEE Transactions on Neural Networks, 1992, 3 (5), 801-806.

- A. A. Suratgar, M.B. Tavakoli, and A. Hoseinabadi, Proceedings - Wec 05: Fourth World Enformatika Conference, 2005, 6, 46-48.

- M. F. Moller, Neural Networks 1993, 6 (4), 525-533.

- X. Yu, G. Chen, and S. Cheng, IEEE Transactions on Neural Networks, 1995, 6 (3), 669-677.

- E. Istook, and T. Martinez, International journal of neural systems, 2002, 12 (3-4), 303-318.

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Published

2014-07-25

Issue

Vol. 3 No. 4 (2014)

Section

Physical Chemistry

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