Explorando o mecanismo de adsorção de AcOH e MeOH em H-ZSM-5 por métodos experimentais e teóricos.

GOMES, GLAUCIO J.; ZALAZAR, M. F.; ARROYO, P. A.; SCREMIN, F. R.; BUDKE COSTA, M.; PERUCHENA, N. M.; BITTENCOURT, PAULO R. S.

Mina Gerais

Congreso; Congreso. 19° Congresso Brasileiro de Catálise e IX Congresso MERCOSUL de Catális; 2017

Sociedade Brasileira de Catálisis

ABSTRACT - The interaction of acetic acid and methanol on the surface of the zeolite H-ZSM-5 was investigated by ATR-FTIR, TGA-IR spectroscopy and theoretical calculations by DFT. The results by ATR-FTIR show that the adsorption of acetic acid and methanol are accompanied by new bands related to interactions of CH3 groups with the crystalline network of the catalyst. The results are supported by DFT calculated within a partially relaxed cluster model for the adsorbed species.