Repositorio Institucional
Repositorio Institucional
CONICET Digital
  • Inicio
  • EXPLORAR
    • AUTORES
    • DISCIPLINAS
    • COMUNIDADES
  • Estadísticas
  • Novedades
    • Noticias
    • Boletines
  • Ayuda
    • General
    • Datos de investigación
  • Acerca de
    • CONICET Digital
    • Equipo
    • Red Federal
  • Contacto
JavaScript is disabled for your browser. Some features of this site may not work without it.
  • INFORMACIÓN GENERAL
  • RESUMEN
  • ESTADISTICAS
 
Artículo

Adsorption of acetic acid and methanol on H-Beta zeolite: An experimental and theoretical study

Gomes, Glaucio José; Zalazar, Maria FernandaIcon ; Lindino, Cleber A.; Scremin, Fernando R.; Bittencourt, Paulo R.S.; Costa, Michelle Budke; Peruchena, Nelida MariaIcon
Fecha de publicación: 06/2017
Editorial: Elsevier Science
Revista: Microporous and Mesoporous Materials
ISSN: 1387-1811
Idioma: Inglés
Tipo de recurso: Artículo publicado
Clasificación temática:
Otras Ciencias Químicas

Resumen

The adsorption of acetic acid and methanol on H-Beta zeolite as a model of reaction of first step of the esterification reaction has been investigated with TGA-IR coupled, ATR-FTIR spectroscopy together with Density Functional Theory (DFT) calculations at M06–2X/6-31G(D) level. From the theoretical viewpoint, different models of adsorption of acetic acid and methanol on the surface of H-Beta zeolite are studied. TGA-IR experiments show that both reactants are molecularly adsorbed on H-Beta, beyond 200 °C for methanol and 250 °C for acetic acid other species are also formed due to the surface reactivity being strongly adsorbed on the catalyst. Results from ATR-FTIR spectroscopy and theoretical calculations reveal that the predominant adsorption mode of acetic acid involves the ads_AA(C[dbnd]O) complex where the acetic acid is molecularly adsorbed by the carbonyl group on the Brønsted acid site of catalyst, and the OH group is oriented to the Al-O-Si bridge. The mechanism of adsorption of both acetic acid and methanol is also discussed at molecular level. The complexes where the acetic acid is adsorbed by the carbonyl group are clearly the most stable one.
Palabras clave: Atr-Ftir , Brønsted Acid Site , Combined Tga-Ir , Dft , Green Chemistry , Heterogeneous Catalysis , Vibrational Spectroscopy , Zeolites
Ver el registro completo
 
Archivos asociados
Thumbnail
 
Tamaño: 2.833Mb
Formato: PDF
.
Descargar
Licencia
info:eu-repo/semantics/openAccess Excepto donde se diga explícitamente, este item se publica bajo la siguiente descripción: Creative Commons Attribution-NonCommercial-ShareAlike 2.5 Unported (CC BY-NC-SA 2.5)
Identificadores
URI: http://hdl.handle.net/11336/37778
DOI: http://dx.doi.org/10.1016/j.micromeso.2017.06.008
URL: https://www.sciencedirect.com/science/article/pii/S1387181117304110
Colecciones
Articulos(IQUIBA-NEA)
Articulos de INSTITUTO DE QUIMICA BASICA Y APLICADA DEL NORDESTE ARGENTINO
Citación
Gomes, Glaucio José; Zalazar, Maria Fernanda; Lindino, Cleber A.; Scremin, Fernando R.; Bittencourt, Paulo R.S.; et al.; Adsorption of acetic acid and methanol on H-Beta zeolite: An experimental and theoretical study; Elsevier Science; Microporous and Mesoporous Materials; 252; 6-2017; 17-28
Compartir
Altmétricas
 

Enviar por e-mail
Separar cada destinatario (hasta 5) con punto y coma.
  • Facebook
  • X Conicet Digital
  • Instagram
  • YouTube
  • Sound Cloud
  • LinkedIn

Los contenidos del CONICET están licenciados bajo Creative Commons Reconocimiento 2.5 Argentina License

https://www.conicet.gov.ar/ - CONICET

Inicio

Explorar

  • Autores
  • Disciplinas
  • Comunidades

Estadísticas

Novedades

  • Noticias
  • Boletines

Ayuda

Acerca de

  • CONICET Digital
  • Equipo
  • Red Federal

Contacto

Godoy Cruz 2290 (C1425FQB) CABA – República Argentina – Tel: +5411 4899-5400 repositorio@conicet.gov.ar
TÉRMINOS Y CONDICIONES