Modeling of the phase equilibria of aqueous two-phase systems using three-dimensional neural network

Hui Chao Lv; Da Yong Tian

Korean Journal of Chemical Engineering, Vol.34, No.1, 170-178, January, 2017

DOI10.1007/s11814-016-0245-9 Export Citation

Modeling of the phase equilibria of aqueous two-phase systems using three-dimensional neural network

Hui Chao Lv^†, and Da Yong Tian

School of Chemical & Environmental Engineering, Anyang Institute of Technology, China

E-mail:

A three-dimensional neural network model has been designed for representing the phase equilibrium data related to aqueous two-phase systems. The polyvinyl pyrrolidone/phosphate/water system was selected as the model system to demonstrate the point of interest. The collected experimental data were categorized into two subsets, training and validation sets, not only to find the suitable network configuration but also to prevent the overfitting problem. Meanwhile, the weight comparison method was proposed to optimize the three-dimensional neural net. The results of accuracy comparison indicate that it outperforms the two-dimensional neural network on some details and can further enhance the calculation accuracy of the phase equilibrium data for these investigated aqueous two-phase systems. The development of the neural network in the three-dimensional space should be a research project of concern.

Keywords:Three-dimensional Neural Network;Weight Comparison Method;Aqueous Two-Phase System;Phase Equilibria

[References]

Azevedo AM, Rosa PA, Ferreira IF, Aires-Barros MRJ, J. Biotechnol., 132, 209 (2007)
Salic A, Tusek A, Fabek D, Rukavina I, Zelic B, Food Technol. Biotechnol., 49, 495 (2011)
Tanuja S, Srinivas ND, Gowthaman MK, Raghavarao KSMS, Bioprocess Eng., 23, 63 (2000)
Negrete A, Ling TC, Lyddiatt AJ, J. Chromatogr. B, 854, 13 (2007)
Rodrigues GD, da Silva MDH, da Silva LHM, Paggioli FJ, Minim LA, Coimbra JSD, Sep. Purif. Technol., 62(3), 687 (2008)
Fedicheva N, Ninni L, Maurer G, J. Chem. Eng. Data, 52(5), 1858 (2007)
King RS, Blanch HW, Prausnitz JM, AIChE J., 34, 1585 (1998)
Zafarani-Moattar MT, Sadeghi R, Fluid Phase Equilib., 181(1-2), 95 (2001)
Castro BD, Aznar M, Braz. J. Chem. Eng., 22, 463 (2005)
Gautam S, Simon L, Chem. Eng. Commun., 194(1), 117 (2007)
Sadeghi R, Fluid Phase Equilib., 237(1-2), 40 (2005)
Zafarani-Moattar MT, Abdizadeh-Aliyar V, J. Chem. Thermodyn., 72, 125 (2014)
Lashkarbolooki M, Vaferi B, Rahimpour MR, Fluid Phase Equilib., 308(1-2), 35 (2011)
Zheng Z, Merz KM, J. Chem. Inf. Model., 51, 1296 (2011)
Parhizgar H, Dehghani MR, Khazaei A, Dalirian M, Ind. Eng. Chem. Res., 51(6), 2775 (2012)
Haghbakhsh R, Adib H, Keshavarz P, Koolivand M, Keshtkari S, Thermochim. Acta, 551, 124 (2013)
Sinha K, Chowdhury S, Saha PD, Datta S, Ind. Crop. Prod., 41, 165 (2013)
Bolanca T, Ukic S, Peternel I, Kusic H, Bozic AL, Indian J. Chem. Technol., 21(1), 21 (2014)
Afshar M, Gholami A, Asoodeh M, Korean J. Chem. Eng., 31(3), 496 (2014)
Ammi Y, Khaouane L, Hanini S, Korean J. Chem. Eng., 32(11), 2300 (2015)
Kan P, Lee CJ, Ind. Eng. Chem. Res., 35(6), 2015 (1996)
Safamirzaei M, Modarress H, Fluid Phase Equilib., 309(1), 53 (2011)
Zafarani-Moattar MT, Sadeghi R, Fluid Phase Equilib., 203(1-2), 177 (2002)
Zafarani-Moattar MT, Sadeghi RS, Fluid Phase Equilib., 238(1), 129 (2005)
Zafarani-Moattar MT, Gasemi J, Fluid Phase Equilib., 198(2), 281 (2002)
Ananthapadmanabhan K, Goddard ED, Langmuir, 3, 25 (1987)
Qiu T, Ma PS, Wang LE, Zheng HD, Chem. Eng., 32, 62 (2004)
Lv HC, Shen YH, J. Korean Chem. Soc., 57, 370 (2013)
Si-Moussa C, Hanini S, Derriche R, Bouhedda M, Bouzidi A, Braz. J. Chem. Eng., 25, 183 (2008)

[Referenced By]

[1] Azevedo AM, Rosa PA, Ferreira IF, Aires-Barros MRJ, J. Biotechnol., 132, 209 (2007)

[2] Salic A, Tusek A, Fabek D, Rukavina I, Zelic B, Food Technol. Biotechnol., 49, 495 (2011)

[3] Tanuja S, Srinivas ND, Gowthaman MK, Raghavarao KSMS, Bioprocess Eng., 23, 63 (2000)

[4] Negrete A, Ling TC, Lyddiatt AJ, J. Chromatogr. B, 854, 13 (2007)

[5] Rodrigues GD, da Silva MDH, da Silva LHM, Paggioli FJ, Minim LA, Coimbra JSD, Sep. Purif. Technol., 62(3), 687 (2008)

[6] Fedicheva N, Ninni L, Maurer G, J. Chem. Eng. Data, 52(5), 1858 (2007)

[7] King RS, Blanch HW, Prausnitz JM, AIChE J., 34, 1585 (1998)

[8] Zafarani-Moattar MT, Sadeghi R, Fluid Phase Equilib., 181(1-2), 95 (2001)

[9] Castro BD, Aznar M, Braz. J. Chem. Eng., 22, 463 (2005)

[10] Gautam S, Simon L, Chem. Eng. Commun., 194(1), 117 (2007)

[11] Sadeghi R, Fluid Phase Equilib., 237(1-2), 40 (2005)

[12] Zafarani-Moattar MT, Abdizadeh-Aliyar V, J. Chem. Thermodyn., 72, 125 (2014)

[13] Lashkarbolooki M, Vaferi B, Rahimpour MR, Fluid Phase Equilib., 308(1-2), 35 (2011)

[14] Zheng Z, Merz KM, J. Chem. Inf. Model., 51, 1296 (2011)

[15] Parhizgar H, Dehghani MR, Khazaei A, Dalirian M, Ind. Eng. Chem. Res., 51(6), 2775 (2012)

[16] Haghbakhsh R, Adib H, Keshavarz P, Koolivand M, Keshtkari S, Thermochim. Acta, 551, 124 (2013)

[17] Sinha K, Chowdhury S, Saha PD, Datta S, Ind. Crop. Prod., 41, 165 (2013)

[18] Bolanca T, Ukic S, Peternel I, Kusic H, Bozic AL, Indian J. Chem. Technol., 21(1), 21 (2014)

[19] Afshar M, Gholami A, Asoodeh M, Korean J. Chem. Eng., 31(3), 496 (2014)

[20] Ammi Y, Khaouane L, Hanini S, Korean J. Chem. Eng., 32(11), 2300 (2015)

[21] Kan P, Lee CJ, Ind. Eng. Chem. Res., 35(6), 2015 (1996)

[22] Safamirzaei M, Modarress H, Fluid Phase Equilib., 309(1), 53 (2011)

[23] Zafarani-Moattar MT, Sadeghi R, Fluid Phase Equilib., 203(1-2), 177 (2002)

[24] Zafarani-Moattar MT, Sadeghi RS, Fluid Phase Equilib., 238(1), 129 (2005)

[25] Zafarani-Moattar MT, Gasemi J, Fluid Phase Equilib., 198(2), 281 (2002)

[26] Ananthapadmanabhan K, Goddard ED, Langmuir, 3, 25 (1987)

[27] Qiu T, Ma PS, Wang LE, Zheng HD, Chem. Eng., 32, 62 (2004)

[28] Lv HC, Shen YH, J. Korean Chem. Soc., 57, 370 (2013)

[29] Si-Moussa C, Hanini S, Derriche R, Bouhedda M, Bouzidi A, Braz. J. Chem. Eng., 25, 183 (2008)