INVESTIGADORES
PERUCHENA Nelida Maria
congresos y reuniones científicas
Título:
Theoretical study of the role of (CTA+)(≡SiO-) ion pair on the catalytic activity of [CTA+]-Si-MCM-41
Autor/es:
ALEGRE, C. I. A.; ZALAZAR, M. F.; CAZULA, B.B.; ALVES, HELTON ; PERUCHENA, N. M.
Lugar:
Santa Fe
Reunión:
Congreso; VI San Luis Conference on Surfaces, Interfaces and Catalysis; 2018
Institución organizadora:
INTEC (CCT-Santa Fe-UNL)
Resumen:
In the present work were por the main results of our theoretical study of the(CTA+)(≡SiO-) ion pair use das a model surface of [CTA+]-Si-MCM-41 catalyst. DFTmethods and electron density analysis provide information that could be help ful in the interpretation of the experiments about transesterification reaction. Results shows that the possible mechanism involved a concerted adsorption of both reactants on the surface of(CTA+)(≡SiO-) ion pair of catalyst
