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International Journal of Polymer Science
Volume 2014 (2014), Article ID 103945, 11 pages
Research Article

Interaction of Refractory Dibenzothiophenes and Polymerizable Structures

1Facultad de Ingeniería Química, Universidad Michoacana de San Nicolás de Hidalgo, 58000 Morelia, MICH, Mexico
2Facultad de Ingeniería en Tecnología de la Madera, Universidad Michoacana de San Nicolás de Hidalgo, 58000 Morelia, MICH, Mexico
3Instituto de Investigaciones en Materiales, UNAM, Ciudad Universitaria, 04510 México, DF, Mexico

Received 4 November 2013; Accepted 4 March 2014; Published 12 June 2014

Academic Editor: Haojun Liang

Copyright © 2014 Jose L. Rivera et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.


We carried out first principles calculations to show that polymerizable structures containing hydroxyl (alcoholic chain) and amino groups are suitable to form stable complexes with dibenzothiophene (DBT) and its alkyl derivates. These sulfur pollutants are very difficult to eliminate through traditional catalytic processes. Spontaneous and exothermic interactions at 0 K primarily occur through the formation of stable complexes of organosulfur molecules with monomeric structures by hydrogen bonds. The bonds are formed between the sulfur atom and the hydrogen of the hydroxyl group; additional hydrogen bonds are formed between the hydrogen atoms of the organosulfur molecule and the nitrogen atoms of the monomers. We vary the number of methylene groups in the alcoholic chain containing the hydroxyl group of the monomer and find that the monomeric structure with four methylene groups has the best selectivity towards the interaction with the methyl derivates with reference to the interaction with DBT. Even this study does not consider solvent and competitive adsorption effects; our results show that monomeric structures containing amino and hydroxyl groups can be used to develop adsorbents to eliminate organosulfur pollutants from oil and its derivates.