화학공학소재연구정보센터
Journal of Industrial and Engineering Chemistry, Vol.117, 522-537, January, 2023
Mechanisms of mercury ions separation by non-toxic organic liquid membrane via DFT, thermodynamics, kinetics and mass transfer model
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This work focuses on the separation of mercury ions from synthetic produced wastewater via hollow fiber supported liquid membrane (HFSLM). Standard sunflower oil is used as a non-toxic extractant and solvent for mercury ions separation from wastewater. Under optimal conditions: 20 ppm NaCl in wastewater, 0.1 M thiourea in 0.5 M HCl as stripping solution, flow rates of feed and stripping solutions of 100 mL/min, and temperature 323 K, percentages of extraction and stripping reach 98% and 81%, respectively. The mechanisms of extraction and stripping reactions were investigated via the density functional theory (DFT). For the extraction, a linoleic acid extracted HgCl2 and formed halogen bond. For the stripping, two protonated thiourea stripped HgCl2 and formed covalent and halogen bonds. According to the thermodynamics study, extraction reaction is found to be endothermic (DH0 Ex = 1,001. 00 J/mol), irreversible (ΔS0 Ex = 3.45 J/mol K), and spontaneous, (ΔG0 Ex@323 K = -112.65 J/mol). Finally, the mathematical model including conservation, convection, diffusion, reaction, and accumulation was developed. The differences of mercury ions concentration in feed and stripping phases from the experiments and the predicted data from the mathematical model were 5% and 2%, respectively indicating that the model is acceptable.
  1. Clarkson TW, Magos L, Crit. Rev. Toxicol., 36, 609 (2006)
  2. Budnik LT, Casteleyn L, Sci. Total Environ., 654, 720 (2019)
  3. Sall ML, Diaw AKD, Gningue-Sall D, Aaron J, Aaron JJ, Environ. Sci. Pollut. Res., 27, 29927 (2020)
  4. Yang L, Zhang Y, Wang F, Luo Z, Guo S, Strähle UJC, Chemosphere, 245, 125586 (2020)
  5. Mehri M, Fallah N, Nasernejad B, Water, 4, 1 (2021)
  6. Inbaraj BS, Wang J, Lu J, Siao F, Chen B, Bioresour. Technol., 100, 200 (2009)
  7. Lothongkum AW, Pancharoen U, Prapasawat T, in: Treatmaent of Heavy Metals from Industrial Wastewater Using Hollow Fiber Supported Liquid Membrane, Inc., pp. 299–332, 2012.
  8. Kumar R, Ansari SA, Kandwal P, Mohapatra PK, Chem. Eng. Res. Des., 168, 307 (2021)
  9. Román MFS, Bringas E, Ibañez R, Ortiz I, J. Chem. Technol. Biotechnol., 85, 2 (2010)
  10. Soniya M, Muthuraman G, J. Ind. Eng. Chem., 30, 266 (2015)
  11. Chang SH, Desalin. Water Treat., 57, 19785 (2016)
  12. Ahmad AL, Kusumastuti A, Derek CJC, Ooi BS, Chem. Eng. J., 171, 870 (2011)
  13. Ma H, Kökkılic O, Waters KE, Miner. Eng., 107, 88 (2017)
  14. Pancharoen U, Lothongkum AW, Chaturabul S, in: Mass Transfer in Hollow Fiber Supported Liquid Membrane for As, pp. 499–1254, 2011.
  15. Parhi PK, J. Chem., 2013 (2013)
  16. Surucu A, Eyupoglu V, Tutkun O, J. Ind. Eng. Chem., 18, 629 (2012)
  17. Chaturabul S, Wannachod T, Leepipatpiboon N, Pancharoen U, Kheawhom S, J. Ind. Eng. Chem., 21, 1020 (2015)
  18. Pancharoen U, Somboonpanya S, Chaturabul S, Lothongkum AW, J. Alloy. Compd., 489, 72 (2010)
  19. Sribudda D, Wannachod T, Ramakul P, Pancharoen U, Phatanasri S, Korean J. Chem. Eng., 33, 197 (2016)
  20. Suren S, Pancharoen U, Thamphiphit N, Leepipatpiboon N, J. Membr. Sci., 448, 23 (2013)
  21. Uedee E, Ramakul P, Pancharoen U, Lothongkum AW, Korean J. Chem. Eng., 25, 1486 (2008)
  22. Chakrabarty K, Saha P, Ghoshal AK, J. Membr. Sci., 350, 395 (2010)
  23. Chang SH, Environ. Sci. Pollut. Res., 27, 32371 (2020)
  24. Chang SH, Teng TT, Ismail N, J. Hazard. Mater., 181, 868 (2010)
  25. Wongkaew K, Mohdee V, Pancharoen U, Arpornwichanop A, Lothongkum AW, J. Ind. Eng. Chem., 54, 278 (2017)
  26. Wongsawa T, Ampronpong W, Traiwongsa N, Pancharoen U, Punyain W, Phatanasri S, J. Taiwan Inst. Chem. Eng., 122, 40 (2021)
  27. Chang SH, Jampang AOA, J. Water Process Eng., 43, 102298 (2021)
  28. Hu F, Hu H, Yang J, Luo Y, Lundstrom M, Ji G, et al., J. Mol. Liq., 291, 111253 (2019)
  29. Mohdee V, Parasuk V, Pancharoen U, Arabian J. Chem., 14, 103196 (2021)
  30. Omar IM, Al-Fakih AM, Aziz M, Emran KM, Arabian J. Chem., 14 (2021)
  31. Rahnama SN, Aghaie M, Noei M, Aghaie H, Arabian J. Chem., 14, 103062 (2021)
  32. Kandwal P, Dixit S, Mukhopadhyay S, Mohapatra P, Chem. Eng. J., 174, 110 (2011)
  33. Suren S, Pancharoen U, Kheawhom S, J. Ind. Eng. Chem., 20, 2584 (2014)
  34. Suren S, Pancharoen U, Kheawhom S, J. Ind. Eng. Chem., 20, 2584 (2014)
  35. Vernekar PV, Jagdale YD, Patwardhan AW, Patwardhan AV, Ansari SA, Mohapatra PK, et al., Chem. Eng. Res. Des., 91, 141 (2013)
  36. Yang Q, Kocherginsky N, J. Membr. Sci., 297, 121 (2007)
  37. Shaheen MA, Munawar A, Sadaf H, Tahir MN, Isab AA, Ahmad S, Acta Crystallogr. Section E: Crystallogr. Commun., 71, 1061 (2015)
  38. Wongsawa T, Leepipatpiboon N, Thamphiphit N, Pancharoen U, Lothongkum AW, Chem. Eng. J., 222, 361 (2013)
  39. Wilke C, Chang P, AIChE J., 1, 264 (1955)
  40. Tang Y, Liu W, Wan J, Wang Y, Yang X, Process Biochem., 48, 1980 (2013)
  41. Baudot A, Floury J, Smorenburg HE, AIChE J., 47, 1780 (2001)
  42. Yang X, Yang R, Shi D, Wang S, Chen J, Guo H, J. Chem. Technol. Biotechnol., 90, 1102 (2015)
  43. Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Scalmani G, Barone V, Mennucci B, Petersson GA, Nakatsuji H, Gaussian 09, Revision D.01, Gaussian, Inc., Wallingford CT, 2009.
  44. El Kalai F, Chelfi T, Benchat N, Hacht B, Bouklah M, Elaatiaoui A, et al., J. Mol. Struct., 1191, 24 (2019)
  45. Hanwell MD, Curtis DE, Lonie DC, Vandermeersch T, Zurek E, Hutchison GR, J. Cheminf., 4, 17 (2012)
  46. Shen X, Zhang G, Bjerg B, Energy Build., 62, 570 (2013)
  47. Zhou R, Zhang M, Li J, Zhao W, J. Environ. Chem. Eng., 8, 104198 (2020)
  48. Lothongkum AW, Suren S, Chaturabul S, Thamphiphit N, Pancharoen U, J. Membr. Sci., 369, 350 (2011)
  49. Akkaya M, Rivista Italiana Delle Sostanze Grasse, 95, 239 (2018)
  50. Tang K, Fu T, Zhang P, Process Biochem., 47, 2275 (2012)
  51. Cieszynska A, Wieczorek D, J. Solution Chem., 49, 486 (2020)
  52. Yang Q, Kocherginsky NM, J. Membr. Sci., 286, 301 (2006)
  53. Mohdee V, Ramakul P, Phatanasri S, Pancharoen U, J. Environ. Chem. Eng., 8, 104234 (2020)
  54. Montgomery DC, Design and Analysis of Experiments, 9th ed., John Wiley & Sons, 2017.
  55. Lv P, Liu R, Wang Y, Liu X, Wu Y, Xue W, et al., Sep. Purif. Technol., 276, 119312 (2021)
  56. Li XB, Chang W, Jun W, Li CX, Li MT, Deng ZG, Xu HS, Trans. Nonferr. Metals Soc. China, 22, 461 (2012)
  57. Spies ARL, Wewers F, Arabian J. Chem., 13, 5050 (2020)
  58. Mufakkar M, Tahir MN, Sadaf H, Ahmad S, Waheed A, Acta Crystallogr. Sect. E: Struct. Rep. Online, 66, m1001 (2010)
  59. Wannachod T, Mohdee V, Suren S, Ramakul P, Pancharoen U, Nootong K, J. Ind. Eng. Chem., 26, 214 (2015)