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Type: Journal article
Title: Adsorptive denitrogenation of fuel over metal organic frameworks: effect of N-types and adsorption mechanisms
Author: Wu, Y.
Xiao, J.
Wu, L.
Chen, M.
Xi, H.
Li, Z.
Wang, H.
Citation: The Journal of Physical Chemistry C: Energy Conversion and Storage, Optical and Electronic Devices, Interfaces, Nanomaterials, and Hard Matter, 2014; 118(39):22533-22543
Publisher: American Chemical Society
Issue Date: 2014
ISSN: 1932-7447
Statement of
Ying Wu, Jing Xiao, Luoming Wu, Ma Chen, Hongxia Xi, Zhong Li, and Haihui Wang
Abstract: This work investigates adsorptive denitrogenation (ADN) of fuels over metal organic frameworks using a combined experimental/computational approach. MIL-101(Cr) shows high ADN capacities at low concentrations, ascribing to the sites on MIL-101(Cr) offering the strongest adsorption. Adsorption capacity of MIL-101(Cr) is higher for basic quinoline than that for nonbasic indole due to a greater adsorption strength of quinoline(−61.31 kJ/mol) than indole (−38.33 kJ/mol). Adsorption selectivity of various types of compounds in fuels follows the order of organonitrogen ≫organosulfur > naphthalene, in good agreement with the order of adsorption strength as BEN(−62∼−34 kJ/mol) < BES(−32∼−24 kJ/mol) < BENap(−21.65 kJ/mol), suggesting MIL-101(Cr) is a highly selective adsorbent for ADN. ADN is negligibly affected by polyaromatic hydrocarbons, but suppressed by oxygenate cosolvent, that is, tetrahydrofuran to varied extents, depending on the varied adsorption mechanisms affected by N-types, including N-basicity,positive charge on H bound to N, and H-substitution.
Rights: © 2014 American Chemical Society
DOI: 10.1021/jp5045817
Appears in Collections:Aurora harvest 3
Chemical Engineering publications

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