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Reactive separation of p-nitro phenol (PNP) from aqueous solution using tri-n-butyl phosphate: equilibrium and COSMO-RS studies
Abstract:ABSTRACT

The present study is aimed to optimized diluent type, tri-n-butyl phosphate (TBP) composition and temperature for the reactive extraction of p-nitro phenol (PNP) in two different PNP concentration ranges (0.00036–0.00646) kmol·m?3 and (0.00646–0.01437) kmol·m?3] as found in industrial effluents. 1-Octanol is investigated as the best diluent with TBP based on COSMO-RS theory. Equilibrium study based on mass action law is performed to find the insights of extraction mechanisms, equilibrium constant (K = 295.12 k·mol?1) and stoichiometry (m:n = 1:1) as also confirmed by FTIR. Thermodynamic parameters, enthalpy (ΔH°), and entropy (ΔS°) are determined 27.51 K J mol?1 and ?50.21 J mol?1 K?1, respectively.
Keywords:p-Nitro phenol (PNP)  reactive extraction  equilibria  COSMO-RS and thermodynamics
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