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Received May 4, 2016
Accepted September 30, 2016
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Implementation of soft computing approaches for prediction of physicochemical properties of ionic liquid mixtures
Saeid Atashrouz
Hamed Mirshekar1
Abdolhossein Hemmati-Sarapardeh2
Mostafa Keshavarz Moraveji3†
Bahram Nasernejad3
Department of Chemical Engineering, Amirkabir University of Technology (Tehran Polytechnic), Mahshahr Campus, Mahshahr, Iran 1Iran Polymer and Petrochemical Institute (IPPI), Tehran, Iran 2Department of Petroleum Engineering, Amirkabir University of Technology, Tehran, Iran 3Department of Chemical Engineering, Amirkabir University of Technology (Tehran Polytechnic), Hafez 424, P. O. Box 15875-4413, Tehran, Iran
moraveji@aut.ac.ir
Korean Journal of Chemical Engineering, February 2017, 34(2), 425-439(15), 10.1007/s11814-016-0271-7
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Abstract
The main objective of this study was to develop soft computing approaches for prediction of physicochemical properties of IL mixtures including: density, heat capacity, thermal conductivity, and surface tension. The proposed models in this study are based on support vector machine (SVM), least square support vector machines (LSSVM), and group method of data handling type polynomial neural network (GMDH-PNN) systems. To find the LSSVM and SVM adjustable parameters, genetic algorithm (GA) as a meta-heuristic algorithm was utilized. The results showed that LSSVM is more robust and reliable for prediction of physicochemical properties of IL mixtures. The proposed GALSSVM model provides average absolute relative deviations of 0.38%, 0.18%, 0.77% and 1.18% for density, heat capacity, thermal conductivity, and surface tension, respectively, which demonstrates high accuracy of the model for prediction of physicochemical properties of IL mixtures.
References
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Tian Y, Wang XF, Wang JJ, J. Chem. Eng. Data, 53(9), 2056 (2008)
Pereiro AB, Rodriguez A, Phys. Chem. Liq., 46, 172 (2008)
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Tekin A, Safarov J, Shahverdiyev A, Hassel E, J. Chem. Eng. Data, 136, 177 (2007)
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Almeida HFD, Lopes-da-Silva JA, Freire MG, Coutinho JAP, J. Chem. Thermodyn., 57, 372 (2013)
Atashrouz S, Mozaffarian M, Pazuki G, Ind. Eng. Chem. Res., 54(34), 8600 (2015)
Park BH, Korean J. Chem. Eng., 33(7), 2191 (2016)
Gonzalez B, Calvar N, Gomez E, Dominguez I, Dominguez A, J. Chem. Eng. Data, 54(4), 1353 (2009)
Wu TY, Chen BK, Hao L, Lin KF, Sun IW, J. Taiwan Inst. Chem. Eng., 42, 914 (2011)
Atashrouz S, Zarghampour M, Abdolrahimi S, Pazuki G, Nasernejad B, J. Chem. Eng. Data, 59(11), 3691 (2014)
Huang Y, Zhang X, Zhao Y, Zeng S, Dong H, Zhang S, Phys. Chem. Chem. Phys., 17, 26918 (2015)
Marsh KN, Boxall JA, Lichtenthaler R, Fluid Phase Equilib., 219(1), 93 (2004)
Heintz A, J. Chem. Thermodyn., 37(6), 525 (2005)
Niedermeyer H, Hallett JP, Villar-Garcia IJ, Hunt PA, Welton T, Chem. Soc. Rev., 41, 7780 (2012)
Alvarez VH, Mattedi S, Martin-Pastor M, Aznar M, Iglesias M, J. Chem. Thermodyn., 43(7), 997 (2011)
Hosseini SM, Moghadasi J, Papari MM, Nobandegani FF, Ind. Eng. Chem. Res., 51, 758 (2012)
Yousefi F, Ionics, 18, 769 (2012)
Andreatta AE, Rodil E, Arce A, Soto A, J. Solution Chem., 43, 404 (2014)
Lin PY, Soriano AN, Leron RB, Li MH, Exp. Therm. Fluid Sci., 35, 1107 (2011)
Gonzalez EJ, Gonzalez B, Calvar N, Dominguez A, J. Chem. Eng. Data, 52(5), 1641 (2007)
Gonzalez B, Calvar N, Gomez E, Dominguez A, J. Chem. Thermodyn., 40(8), 1274 (2008)
Mohagheghian E, Zafarian-Rigaki H, Motamedi-Ghahfarrokhi Y, Hemmati-Sarapardeh A, Korean J. Chem. Eng., 32(10), 2087 (2015)
Babaei AA, Khataee A, Ahmadpour E, Sheydaei M, Kakavandi B, Alaee Z, Korean J. Chem. Eng., 33(4), 1352 (2016)
Ammi Y, Khaouane L, Hanini S, Korean J. Chem. Eng., 32(11), 2300 (2015)
Satya EJ, Chandrakar N, Korean J. Chem. Eng., 33(4), 1318 (2016)
Atashrouz S, Mirshekar H, Bulg. Chem. Commun., 46, 104 (2014)
Atashrouz S, Pazuki G, Alimoradi Y, Fluid Phase Equilib., 372, 43 (2014)
Hashemkhani M, Soleimani R, Fazeli H, Lee M, Bahadori A, Tavalaeian M, J. Mol. Liq., 211, 534 (2015)
Hemmati-Sarapardeh A, Aminshahidy B, Pajouhandeh A, Yousefi SH, Hosseini-Kaldozakh SA, J. Taiwan Inst. Chem. Eng., 59, 1 (2016)
Vong CM, Wong PK, Li YP, Eng. Appl. Artif. Intell., 19, 277 (2006)
Hemmati-Sarapardeh A, Alipour-Yeganeh-Marand R, Naseri A, Safiabadi A, Gharagheizi F, Ilani-Kashkouli P, Mohammadi AH, Fluid Phase Equilib., 354, 177 (2013)
Eslamimanesh A, Gharagheizi F, Illbeigi M, Mohammadi AH, Fazlali A, Richon D, Fluid Phase Equilib., 316, 34 (2012)
Hosseinzadeh M, Hemmati-Sarapardeh A, J. Mol. Liq., 200, 340 (2014)
Ivakhnenko AG, Sov. Autom. Control., 13, 43 (1968)
Ivakhnenko AG, IEEE Trans. Syst. Man. Cybern., 364 (1971)
Reyhani SZ, Ghanadzadeh H, Puigjaner L, Recances F, Ind. Eng. Chem. Res., 48(4), 2129 (2009)
Atashrouz S, Pazuki G, Kakhki SS, J. Mol. Liq., 202, 95 (2015)
Atashrouz S, Amini E, Pazuki G, Ionics (Kiel), 21, 1595 (2014)
Vapnik VN, Statistical Learning Theory, Wiley (1998).
Suykens JAK, Van Gestel T, De Brabanter J, De Moor B, Vandewalle J, Least Squares Support Vector Machines, World Scientific (2002).
Suykens J, Vandewalle J, Neural Process Lett., 9, 293 (1999)
Haupt RL, Haupt SE, Practical genetic algorithms, Wiley (2004).
Tahboub KK, Barghash M, Arafeh M, Ghazal O, Math. Probl. Eng., 2016, 1 (2016)
Karimi H, Yousefi F, Rahimi MR, Heat Mass Transf., 47, 1417 (2011)
Atashrouz S, Mozaffarian M, Pazuki G, Korean J. Chem. Eng., Accepted Manuscript (2016), DOI:10.1007/s11814-016-0169-4. (2016)
Ge R, Hardacre C, Nancarrow P, Rooney DW, J. Chem. Eng. Data, 52(5), 1819 (2007)
Tariq M, Freire MG, Saramago B, Coutinho JAP, Lopes JNC, Rebelo LPN, Chem. Soc. Rev., 41, 829 (2012)
Navia P, Troncoso J, Romani L, J. Chem. Eng. Data, 52(4), 1369 (2007)
Ning H, Hou M, Mei Q, Liu Y, Yang D, Han B, Sci. China Chem., DOI:10.1007/s11426-012-4655-1., 55, 1509 (2012)
Bahadur I, Deenadayalu N, Tywabi Z, Sen S, Hofman T, J. Chem. Thermodyn., 49, 24 (2012)
Pereiro AB, Rodriguez A, J. Chem. Eng. Data, 52(2), 600 (2007)
Singh S, Bahadur I, Redhi GG, Ebenso EE, Ramjugernath D, J. Chem. Thermodyn., 89, 104 (2015)
Singh S, Bahadur I, Redhi GG, Ebenso EE, Ramjugernath D, J. Mol. Liq., 199, 518 (2014)
Wang SL, Jacquemin J, Husson P, Hardacre C, Gomes MFC, J. Chem. Thermodyn., 41(11), 1206 (2009)
Singh S, Bahadur I, Redhi GG, Ramjugernath D, Ebenso EE, J. Mol. Liq., 200, 160 (2014)
Pereiro AB, Tojo E, Rodriguez A, Canosa J, Tojo J, J. Chem. Thermodyn., 38(6), 651 (2006)
Rilo E, Pico J, Garcia-Garabal S, Varela LM, Cabeza O, Fluid Phase Equilib., 285(1-2), 83 (2009)
Gomez E, Gonzalez B, Calvar N, Dominguez A, J. Chem. Thermodyn., 40(8), 1208 (2008)
Rodriguez H, Brennecke JF, J. Chem. Eng. Data, 51(6), 2145 (2006)
Tian Y, Wang XF, Wang JJ, J. Chem. Eng. Data, 53(9), 2056 (2008)
Pereiro AB, Rodriguez A, Phys. Chem. Liq., 46, 172 (2008)
Gomez E, Gonzalez B, Dominguez A, Tojo E, Tojo J, J. Chem. Eng. Data, 51(2), 696 (2006)
Tekin A, Safarov J, Shahverdiyev A, Hassel E, J. Chem. Eng. Data, 136, 177 (2007)
Garcia-Miaja G, Troncoso J, Romani L, J. Chem. Eng. Data, DOI:10.1021/je7002836., 52(6), 2261 (2007)
Waliszewski D, Piekarski H, J. Chem. Thermodyn., 42(2), 189 (2010)
Waliszewski D, J. Chem. Thermodyn., 40(2), 203 (2008)
Yu YH, Soriano AN, Li MH, J. Taiwan Inst. Chem. Eng., 40, 205 (2009)
Lin PY, Soriano AN, Caparanga AR, Li MH, Thermochim. Acta, 496(1-2), 105 (2009)
Yu YH, Soriano AN, Li MH, Thermochim. Acta, 482(1-2), 42 (2009)
Chen W, Qiu L, Liang SQ, Zheng XH, Tang DW, Thermochim. Acta, 560, 1 (2013)
Wandschneider A, Lehmann JK, Heintz A, J. Chem. Eng. Data, 53(2), 596 (2008)
Geppert-Rybczynska M, Lehmann JK, Heintz A, J. Chem. Eng. Data, 56(4), 1443 (2011)
Geppert-Rybczynska M, Lehmann JK, Safarov J, Heintz A, J. Chem. Thermodyn., 62, 104 (2013)
Rilo E, Dominguez-Perez M, Vila J, Varela LM, Cabeza O, J. Chem. Thermodyn., 49, 165 (2012)
Domanska U, Pobudkowska A, Rogalski M, J. Colloid Interface Sci., 322(1), 342 (2008)
Wang JY, Zhao FY, Liu YM, Wang XL, Hu YQ, Fluid Phase Equilib., 305(2), 114 (2011)
Russo JW, Hoffmann MM, J. Chem. Eng. Data, 56(9), 3703 (2011)
Torrecilla JS, Rafione T, Garcia J, Rodriguez F, J. Chem. Eng. Data, 53(4), 923 (2008)
Tong J, Hong M, Chen Y, Wang H, Guan W, Yang JZ, J. Chem. Thermodyn., 54, 352 (2012)
Wang JY, Zhang XJ, Hu YQ, Qi GD, Liang LY, J. Chem. Thermodyn., 45(1), 43 (2012)
Almeida HFD, Lopes-da-Silva JA, Freire MG, Coutinho JAP, J. Chem. Thermodyn., 57, 372 (2013)
