title: Isopropanol Dehydration on Amorphous Silica-Alumina: Synergy of Brønsted and Lewis Acidities at Pseudo-Bridging Silanols.
abstract: The mechanism of isopropanol dehydration on amorphous silica-alumina (ASA) was unraveled by a combination of experimental kinetic measurements and periodic density functional theory (DFT) calculations. We show that pseudo-bridging silanols (PBS-Al) are the most likely active sites owing to the synergy between the Brønsted and Lewis acidic properties of these sites, which facilitates the activation of alcohol hydroxy groups as leaving groups. Isopropanol dehydration was used to specifically investigate these PBS-Al sites, whose density was estimated to be about 10-1site nm-2on the silica-doped alumina surface under investigation, by combining information from experiments and theoretical calculations.
authors.affiliation: Catalysis and Separation Division, IFP Energies Nouvelles, Echangeur de Solaize, 69360, Solaize, France.|Sorbonne Universités, UPMC Univ Paris 06, UMR CNRS 7197, Laboratoire de Réactivité de Surface, Tour 43-33, 3ème étage, Case 178, 4 Place Jussieu, 75252, Paris, France.
authors.forename: Kim
authors.initials: K
authors.lastname: Larmier
authors.affiliation: Catalysis and Separation Division, IFP Energies Nouvelles, Echangeur de Solaize, 69360, Solaize, France.
authors.forename: Céline
authors.initials: C
authors.lastname: Chizallet
authors.affiliation: Catalysis and Separation Division, IFP Energies Nouvelles, Echangeur de Solaize, 69360, Solaize, France.
authors.forename: Sylvie
authors.initials: S
authors.lastname: Maury
authors.affiliation: Catalysis and Separation Division, IFP Energies Nouvelles, Echangeur de Solaize, 69360, Solaize, France.
authors.forename: Nicolas
authors.initials: N
authors.lastname: Cadran
authors.affiliation: Sorbonne Universités, UPMC Univ Paris 06, UMR CNRS 7197, Laboratoire de Réactivité de Surface, Tour 43-33, 3ème étage, Case 178, 4 Place Jussieu, 75252, Paris, France.
authors.forename: Johnny
authors.initials: J
authors.lastname: Abboud
authors.affiliation: Sorbonne Universités, UPMC Univ Paris 06, UMR CNRS 7197, Laboratoire de Réactivité de Surface, Tour 43-33, 3ème étage, Case 178, 4 Place Jussieu, 75252, Paris, France.
authors.forename: Anne-Félicie
authors.initials: AF
authors.lastname: Lamic-Humblot
authors.affiliation: Sorbonne Universités, UPMC Univ Paris 06, UMR CNRS 7197, Laboratoire de Réactivité de Surface, Tour 43-33, 3ème étage, Case 178, 4 Place Jussieu, 75252, Paris, France.
authors.forename: Eric
authors.initials: E
authors.lastname: Marceau
authors.affiliation: Sorbonne Universités, UPMC Univ Paris 06, UMR CNRS 7197, Laboratoire de Réactivité de Surface, Tour 43-33, 3ème étage, Case 178, 4 Place Jussieu, 75252, Paris, France.
authors.forename: Hélène
authors.initials: H
authors.lastname: Lauron-Pernot
keywords: alcohols; aluminosilicates; amorphous materials; density functional calculations; reaction kinetics