Extraction of Picric Acid from Wastewater by a Secondary Amine (Amberlite LA2) in Octan-1-ol: Equilibrium, Kinetics, Thermodynamics, and Molecular Dynamics Simulation

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dc.contributor.authorUslu, Hasan
dc.contributor.authorDatta, Dipaloy
dc.contributor.authorBamufleh, Hisham S.
dc.date.accessioned2024-03-13T10:35:11Z
dc.date.available2024-03-13T10:35:11Z
dc.date.issued2016
dc.departmentİstanbul Beykent Üniversitesien_US
dc.description.abstractThe paper deals with the equilibrium and kinetic studies on the reactive extraction of picric acid (HPc: 0.021-0.061 kmol.m(-3)) using Amberlite LA2 (ALA2; 0.235-1.175 kmol.m(-3)), a secondary amine, dissolved in an active diluent, octan-1-ol. On the basis of the values of the loading factor (Z < 0.5), the interaction between the molecules of HPc and ALA2 takes place by forming 1:1 solvates in the organic solvent phase and was confirmed, from Fourier transfoem infrared analysis. The effect of the temperature (298.2, 308.2, and 318.2 K) on the performance of extraction is evaluated, and the thermodynamic parameters (entropy and enthalpy) are determined. The mass-transfer coefficient (k(L) = 7.12 x 10(-4) m. s(-1)) of picric acid in octan-1-ol is estimated experimentally to establish the kinetics of the reaction. The Hatta number is found to be in the range of 0.009-0.011, suggesting a very slow extraction reaction occurring in the bulk of the solvent phase. The reaction order is 1.2 with respect to HPc and 0.7 order with respect to ALA2 with rate constants of forward and backward reactions of 18.3 x 10(-6) and 4.94 x 10(-6) (kmol.m(-3))(-1.9).s(-1), respectively. The molecular dynamics behavior of the HPc + ALA2 + octan-1-ol system in the organic solvent phase is predicted from the simulated results.en_US
dc.identifier.doi10.1021/acs.iecr.5b04750
dc.identifier.endpage3667en_US
dc.identifier.issn0888-5885
dc.identifier.issue12en_US
dc.identifier.scopus2-s2.0-84963548469en_US
dc.identifier.scopusqualityN/Aen_US
dc.identifier.startpage3659en_US
dc.identifier.urihttps://doi.org/10.1021/acs.iecr.5b04750
dc.identifier.urihttps://hdl.handle.net/20.500.12662/4299
dc.identifier.volume55en_US
dc.identifier.wosWOS:000373519300039en_US
dc.identifier.wosqualityQ2en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherAmer Chemical Socen_US
dc.relation.ispartofIndustrial & Engineering Chemistry Researchen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.titleExtraction of Picric Acid from Wastewater by a Secondary Amine (Amberlite LA2) in Octan-1-ol: Equilibrium, Kinetics, Thermodynamics, and Molecular Dynamics Simulationen_US
dc.typeArticleen_US

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