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Reference type: Journal
Authors: Ma PF, Yang WM, Fan T, Liu H, Zhou ZP, Li JH, Zhang L, Xu WZ
Article Title: Surface imprinted polymers for oil denitrification with the combination of computational simulation and multi-template molecular imprinting.
Publication date: 2015
Journal: Polymers for Advanced Technologies
Volume: 26
Issue: (5)
Page numbers: 476-486.
DOI: 10.1002/pat.3476

Abstract: Multi-template molecular imprinting technique was employed for the theoretical study about industrial oil denitrification. Prior to the preparation of multi-template molecularly imprinted polymers (MT-MIPs), density functional theory was used for simulating the imprinted pre-assembly systems composed of template (aniline, indole, or 3-methylinndole) and monomer [methacrylic acid, acrylamide (AM), and 4-vinylpyridine]. MT-MIPs were synthesized as surface MIPs simply and successively by seeded emulsion polymerization or two-stage precipitation polymerization. The experimental results were consistent with the simulative results, which demonstrated that AM was more suitable monomer together. In addition, seeded emulsion polymerization synthesized MT-MIPs with better performance compared with two-stage precipitation polymerization. The adsorption kinetics and adsorption isotherm of MT-MIP prepared with AM using seeded emulsion polymerization were fitted with different models. The fitting results indicated that pseudo-second-order kinetics model and Freundlich isotherm model were suitable for describing the adsorption process of AM seeded emulsion polymerization. This study will provide a certain guidance and theoretical basis for introducing the combination of multi-template molecular imprinting technique and computational simulation into the field of industrial denitrification. Copyright 2015 John Wiley & Sons, Ltd
Template and target information: aniline, indole, 3-methylinndole
Author keywords: multi-template molecular imprinting, Computational simulation, Density functional theory, denitrification, seeded emulsion polymerization

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