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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 pentachlorophenol and dichlorodiphenyltrichloroethane from aqueous solutions using ionic liquids

        Santhi Raju Pilli,Tamal Banerjee,Kaustubha Mohanty 한국공업화학회 2012 Journal of Industrial and Engineering Chemistry Vol.18 No.6

        This work reports the judicious screening of various ionic liquids for the extraction of pentachlorophenol (PCP) and dichlorodiphenyltrichloroethane (DDT) from aqueous solutions. COSMO-RS model was used for the prediction of selectivity of these compounds in aqueous medium at infinite dilution. Initial benchmarking studies were done by comparing experimental logarithmic octanol–water partition coefficient values (log KOW) with COSMO-RS predicted data on 13 poly chlorinated biphenyls (PCB’s)similar in structure to that of PCP and DDT. 1015 possible ILs were then used to determine the best extractant for the removal of these two EDCs from aqueous solution.

      • KCI등재

        Reactive insights into the hydrogen production from ammonia borane facilitated by phosphonium based ionic liquid

        Debashis Kundu,Sankar Chakma,Gopal Pugazhenthi,Tamal Banerjee 한국화학공학회 2019 Korean Journal of Chemical Engineering Vol.36 No.3

        The current work presents a mechanistic insight of hydrogen production from ammonia borane (AB) facilitated by the phosphonium based ionic liquid (IL), trihexyl(tetradecyl)phosphonium bis (2,4,4-trimethylpentyl) phosphinate ([TDTHP][Phosph]). Prior to experiments, the IL was screened from a pool of 11 phosphonium ILs with the infinite dilution activity coefficients (IDAC) values as predicted by conductor like screening model segment activity coefficient (COSMO-SAC) theory. Thereafter, a dehydrogenation experiment of AB/[TDTHP][Phosph] was carried out at 105 oC and 4×102mbar of gauge pressure, which yielded 2.07 equivalent hydrogen production. At higher temperature, the 11B NMR characterization shows the suppression of induction period at 105 oC and appearance of borohydride anion after 1 min of dehydrogenation. Further, time-resolved characterization of AB/[TDTHP][Phosph] at 105 oC confirmed the appearance of polymeric aminoborane after 10min with a subsequent formation of polyborazylene. HR-MS characterization coupled with 1H resonance spectrum confirmed structural integrity of IL. The dual characterization of NMR and HR-MS led us to propose a dehydrogenation mechanism of AB/[TDTHP][Phosph] system

      • KCI등재

        Molecular modeling and experimental insights for the dehydrogenation of ethylene diamine bisborane using hydrogen sulfate based ionic liquid

        Debashis Kundu,Sankar Chakma,Sainiwetha Saikrishnan,Gopal Pugazhenthi,Tamal Banerjee 한국공업화학회 2019 Journal of Industrial and Engineering Chemistry Vol.70 No.-

        Dehydrogenation of ethylene diamine bisborane (EDAB) is carried out in 1-ethyl-3-methylimidazoliumhydrogen sulfate ([EMIM][HSO4]) and 1-butyl-3-methylimidazolium hydrogen sulfate ([BMIM][HSO4])ionic liquids (ILs) at 40–100 C and 410 2 mbar gauge pressure. Within 30 min, 3.90 and 3.92cumulative equivalent hydrogen generation are measured in EDAB/[EMIM][HSO4] and EDAB/[BMIM][HSO4] respectively at 100 C. NMR characterization elucidates the intermediate and product formationduring dehydrogenation along with the structural integrity of ILs. The EDAB/[EMIM][HSO4] complex isproved to be more stable with an overall interaction energy of471.29 KJ mol 1 when compared to EDAB/[BMIM][HSO4]. Hydrogen bond interactions are further calculated by natural bond orbital analysis.

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