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      • KCI등재

        Phase behavior of catalytic deactivated compounds and water with 1-ethyl-3-methylimidazolium acetate [EMIM][OAc] ionic liquid at T = 298.15–323.15 K and p = 1 bar

        Ramalingam Anantharaj,Tamal Banerjee 한국공업화학회 2012 Journal of Industrial and Engineering Chemistry Vol.18 No.1

        Density,surfacetensionandrefractiveindexofthebinarymixtureofcatalyticdeactivatedcompoundswith1-ethyl-3-methylimidazolium acetate {[EMIM][OAc]} ionic liquid were measured at temperature of 298.15–323.15 K from which the derived thermodynamic properties including excess molar volume and deviation of surface tension and refractive index were calculated. The derived thermodynamic properties could be explained well bythe interaction between similar and dissimilar aromatic structureof the molecules over the entire mole fraction of ILs. It was observed that all the catalytic deactivated compounds and water molecules have significant structural interaction with [EMIM][OAc] via CH p bond interaction, p p stacking and n p interaction over the entire mole fraction of IL at T = 298.15 K. Further the composition of ionic liquid havesignificantinfluenceontheinteractionbetweendissimilararomaticstructureofmoleculeslikepyridine,indoline and quinoline in liquid phase as compared to temperature. The surface tension increases in the order of: hiophene > pyridine > quinoline > pyrrole > indoline > water; while the refractive index increases in the order: pyridine < water < pyrrole < thiophene < indoline < quinoline. The deviation of surface tension was foundtobeinverselyproportional tothedeviationof refractiveindexatT = 298.15 K.Fromtheseresults it was concluded that the structure of the ionic liquids is very important for extraction processes on catalytic deactivated compounds, especially for pyridine, indoline and quinoline as compared to water molecules.

      • KCI등재

        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,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.

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