Journal
DESALINATION AND WATER TREATMENT
Volume 57, Issue 32, Pages 15176-15189Publisher
TAYLOR & FRANCIS INC
DOI: 10.1080/19443994.2015.1070288
Keywords
Adsorption; Polyaniline; Polycarboxy-benzoic acids; Quantum chemical calculations
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The adsorption of trimellitic and pyromellitic acids has been performed onto synthesized polyaniline (PANi) by chemical oxidative polymerization. Different parameters that influence the adsorption processes (pH, temperature, ratio solid/liquid, initial concentration, and contact time) had been examined. Adsorption kinetic study indicates a great adjustment with pseudo-second-order kinetic model. The equilibrium data were best fitted by Langmuir isotherm model. The maximum monolayer adsorption capacities are 67.4 and 94.5mg/g for trimellitic and pyromellitic acids, respectively. Comparison of the adsorption capacities indicates that increasing the number of carboxylic functional groups promotes adsorption on the PANi. Thermodynamic parameters (H degrees, S degrees, and G degrees) indicate that the adsorption is spontaneous and endothermic in nature. The calculations of chemical quantum parameters were performed for optimized molecular structures using the AM1 and MINDO semi-empirical methods. The theoretical data were well correlated with the experimental results.
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