화학공학소재연구정보센터
홈 로그인 로그아웃 연락처 사이트맵
Journal of Industrial and Engineering Chemistry, Vol.20, No.4, 2409-2420, July, 2014
DOI10.1016/j.jiec.2013.10.021  Export Citation
Extraction of Reactive Orange 107 dye from aqueous stream using Triton X-114 surfactant: Quantum chemical calculations and experiment
Appusamy Arunagiri, Komal Priya, Ponnusamy Kalaichelvi, and Ramalingam Anantharaj1, †
  • Department of Chemical Engineering, National Institute of Technology, Tiruchirappalli 620015, Tamil Nadu, India
  • 1Department of Chemical Engineering, Faculty of Engineering, University of Malaya, Kuala Lumpur 50603, Malaysia
E-mail:
The higher occupied molecular orbital and lower unoccupied molecular orbital (HOMO-LUMO) interaction between surfactant Triton X-114 and Reactive Orange 107 dyes were studied using ab initio method with 6-31G* basis set. These results show that HOMO-LUMO interaction, electron donor and acceptor, electron delocalized in the molecular structure is the major source of the attraction both in individual and complex systems. Subsequently, the cloud point extraction (CPE) was carried out successfully for the separation of Reactive Orange 107 dyes using a non-ionic surfactant such as Triton X-114. The results show that surfactant Triton X-114 is more effective for the removal of anionic based dye from aqueous stream at 313.15 K.
Keywords:Ab initio method;HOMO-LUMO interaction;Cloud point extraction;Nonionic surfactant;Reactive Orange 107 dye
  1. Rao CS, Environmental Pollution Control Engineering, Wiley Eastern, India, 1991, pp. 1-79.
  2. Sharma S, Sharma S, Singh PK, Swami RC, Sharma KP, Bull. Environ. Contamination Toxicol., 83, 29 (2009)
  3. Cooper P, Colour in Dyehouse Effluent, Alden Press, Oxford, 1995, pp. 9-21.
  4. Reife A, Freeman HS, Environmental Chemistry of Dyes and Pigments, John Wiley-Inter-Science Publication, 1996.
  5. Pan T, Xu M, Chen X, Sun G, Guo J, Sep. Sci. Technol., 48(9), 1040 (2013)
  6. Purkait MK, Vijay SS, Dasgupta S, De S, Dyes Pigment., 63, 151 (2004)
  7. Purkait MK, Banerjee S, Mewara S, Dasgupta S, De S, Water Res., 39, 3885 (2005)
  8. Kimchuwanit W, Osuwan S, Scamehorn JF, Harwell JH, Haller KJ, Sep. Sci. Technol., 35(13), 1991 (2000)
  9. Naqvi AZ, Khatoon S, Kabir-ud-Din, J. Sol. Chem., 40, 643 (2011)
  10. Wang Z, Zhao F, Li D, Colloids Surf. A: Physicochem. Eng. Asp., 216, 207 (2003)
  11. Jung MJ, Venkateswaran P, Lee YS, J. Ind. Eng. Chem., 14(1), 110 (2008)
  12. Kimchuwanit W, Osuwan S, Scamehorn JF, Harwell JH, Haller KJ, Sep. Sci. Technol., 35(13), 1991 (2000)
  13. Purkait MK, DasGupta S, De S, Desalination, 244(1-3), 130 (2009)
  14. Schaftenaar G, Noordik JH, J. Comput.-Aided Materials Design, 14, 123 (2000)
  15. Meng J, Dolle A, Carper RW, J. Mol. Struct., 585, 119 (2002)
  16. Turner EA, Pye CC, Singer RD, J. Phys. Chem. A, 107(13), 2277 (2003)
  17. Boys S, Bernardi F, Mol. Phys., 19, 553 (1970)
  18. Frisch MJ, et al., Gaussian 03, Revision C.02, Gaussian, Pittsburgh, PA, 2004.
  19. http://chemistry.umeche.maine.edu/CHY252/HOMO-LUMO.html
  20. http://en.wikipedia.org/wiki/Frontier_molecular_orbital_theory
  21. Lu RQ, Qu ZQ, Yu H, Wang F, Wang ST, Chem. Phys. Lett., 532, 13 (2012)
  22. Castellano O, Gimon R, Soscun H, Energy Fuels, 25(6), 2526 (2011)
  23. Fernandes AM, Rocha MAA, Freire MG, Marrucho IM, Coutinho JAP, Santos LMNBF, J. Phys. Chem. B, 115(14), 4033 (2011)
  24. Lu R, Lin J, Qu Z, Structure Chemistry, http://dx.doi.org/10 1007/s11224-012-0106-z (2013)
  25. Trakultamupatan P, Scamehorn JF, Osuwan S, Sep. Sci. Technol., 37(6), 1291 (2002)
  26. Taechangam P, Scamehorn JF, Osuwan S, Rirksomboon T, Colloids Surf. A: Physicochem. Eng. Asp., 347, 200 (2009)
  27. Bai DS, Li JL, Chen SB, Chen BH, Environ. Sci. Technol., 35, 3936 (2001)
  28. Kenkare PU, Hall CK, Kilpatrick PK, J. Colloid Interface Sci., 184(2), 456 (1996)
  29. Li JL, Chen BH, J. Colloid Interface Sci., 263(2), 625 (2003)
  30. Komaromyhiller G, Calkins N, Vonwandruszka R, Langmuir, 12(4), 916 (1996)