Dibenzyl disulfide adsorption on cationic exchanged faujasites: A DFT study

Etienne Paul Hessou, Miguel Ponce-Vargas, Jean Baptiste Mensah, Frederik Tielens, Juan Carlos Santos, Michael Badawi

Resultado de la investigación: Contribución a una revistaArtículo

3 Citas (Scopus)

Resumen

Although dibenzyl disulfide (DBDS) is used as a mineral oil stabilizer, its presence in electrical transformer oil is associated as one of the major causes of copper corrosion and subsequent formation of copper sulfide. In order to prevent these undesirable processes, MY zeolites (with M = Li, Na, K, Cs, Cu or Ag) are proposed to adsorb molecularly DBDS. In this study, different MY zeolites are investigated at the DFT+D level in order to assess their ability in DBDS adsorption. It was found that CsY, AgY and CuY exhibit the best compromise between high interaction energies and limited S-S bond activation, thus emerging as optimal adsorbents for DBDS.

Idioma originalInglés
Número de artículo715
PublicaciónNanomaterials
Volumen9
N.º5
DOI
EstadoPublicada - 1 may 2019

Áreas temáticas de ASJC Scopus

  • Ingeniería química (todo)
  • Ciencia de los materiales (todo)

Huella Profundice en los temas de investigación de 'Dibenzyl disulfide adsorption on cationic exchanged faujasites: A DFT study'. En conjunto forman una huella única.

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    Hessou, E. P., Ponce-Vargas, M., Mensah, J. B., Tielens, F., Santos, J. C., & Badawi, M. (2019). Dibenzyl disulfide adsorption on cationic exchanged faujasites: A DFT study. Nanomaterials, 9(5), [715]. https://doi.org/10.3390/nano9050715