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Reference type: Journal
Authors: Yang WM, Liu LK, Zhou ZP, Liu H, Xie BZ, Xu WZ
Article Title: Rational preparation of dibenzothiophene-imprinted polymers by surface imprinting technique combined with atom transfer radical polymerization.
Publication date: 2013
Journal: Applied Surface Science
Volume: 282
Page numbers: 809-819.
DOI: 10.1016/j.apsusc.2013.06.063
Alternative URL: http://www.sciencedirect.com/science/article/pii/S0169433213011744

Abstract: A computational simulation method is introduced to simulate the dibenzothiophene-monomer pre-assembly system of molecular imprinted polymers. The interaction type and intensity between dibenzothiophene and monomer are discussed from the binding energy and spatial position distribution. The simulation and analysis results indicate that the amount of the function monomer is not the more the better in preparing molecular imprinted polymers. Based on the above results, a novel dibenzothiophene-imprinted polymers with the favorable specific adsorption effect was prepared by surface imprinting technique combined with atom transfer radical polymerization. This combined technologies are used for preparing a desulfurization adsorbent for the first time. Various measures were selected to characterize the structure and morphology of the prepared adsorbent. The characterization results show that the adsorbent has suitable features for further adsorption process. A series of static adsorption experiments were conducted to analyze its adsorption performance. The adsorption process follows Elovich model by the kinetic analysis and Sips equation by the isothermal analysis. The approach we described will provide another opportunity in the deep desulfurization field
Template and target information: dibenzothiophene
Author keywords: Surface imprinted polymers, Atom transfer radical polymerization, Computational simulation, dibenzothiophene, adsorbent

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