| Revue: | Brazilian journal of chemical engineering |
| Base de datos: | PERIÓDICA |
| Número de sistema: | 000308820 |
| ISSN: | 0104-6632 |
| Autores: | Souza, P.R.N1 Pereira, M.M2 Antunes, O.A.C Aranda, D.A.G Carneiro, J.W.M3 |
| Instituciones: | 1Universidade Federal do Rio de Janeiro, Escola de Quimica, Rio de Janeiro. Brasil 2Universidade Federal do Rio de Janeiro, Instituto de Quimica, Rio de Janeiro. Brasil 3Universidade Federal Fluminense, Instituto de Quimica, Niteroi, Rio de Janeiro. Brasil |
| Año: | 2002 |
| Periodo: | Abr |
| Volumen: | 19 |
| Número: | 2 |
| Paginación: | 187-194 |
| País: | Brasil |
| Idioma: | Inglés |
| Tipo de documento: | Artículo |
| Enfoque: | Experimental, aplicado |
| Resumen en inglés | A strong metal support interaction (SMSI) effect was observed on Pd/Nb2O5 and Pd/TiO2 catalysts, and it produces small, exposed Pd ensembles. A decrease in the trans/cis 2-butene ratio was observed after reduction at 773 K. Selectivity changes were ascribed to the decoration model. Theoretical models were developed based on semi-empirical molecular-orbital calculations for 1,3-butadiene and Pd n clusters. Experimental results are in agreement with our theoretical model, which proposes a greater stabilization of the cisoid intermediate on small Pd ensembles |
| Disciplinas: | Química |
| Palabras clave: | Química orgánica, Ingeniería química, Catálisis, Hidrogenación, 1,3-butadieno, Modelado molecular |
| Keyword: | Chemistry, Organic chemistry, Chemical engineering, Catalysis, Hydrogenation, 1,3-butadiene, Molecular modelling |
| Texte intégral: | Texto completo (Ver HTML) |
