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Appusamy Arunagiri,Komal Priya,Ponnusamy Kalaichelvi,Ramalingam Anantharaj 한국공업화학회 2014 Journal of Industrial and Engineering Chemistry Vol.20 No.4
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.