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South African Journal of Chemistry

versão On-line ISSN 1996-840X
versão impressa ISSN 0379-4350


ABDUL-QUADIR, M.S. et al. Selective Removal of Organonitrogen Compounds in Fuel using Functional Polybenzimidazole Nanofibres: A Combined Experimental and Theoretical Study. S.Afr.j.chem. (Online) [online]. 2019, vol.72, pp.88-100. ISSN 1996-840X.

Organonitrogen compounds present in fuel oils are deleterious to the environment as well as refining catalysts. Herein, functional polybenzimidazole (PBI) nanofibres fabricated in the presence of N-compounds (nitrogen-containing compounds) were employed for the selective adsorption of quinoline, pyrimidine and carbazole, largely found in diesel fuel. Adsorption capacities of 11.5 mg g-1,11.8 mg g-1 and 11.0 mg g-1 were observed for pyrimidine, carbazole and quinoline, respectively. Density functional theory (DFT) studies indicated π-π interactions/stacking and hydrogen bond interactions between the nitrogen atom of N-compounds and PBI. The study clearly shows the potential of PBI material use for the selective removal of organonitrogen compounds in fuels.

Palavras-chave : Organonitrogen compounds; polybenzimidazole (PBI); Adsorptive denitrogenation; DFT calculations.

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