| Journal: | Brazilian journal of chemical engineering |
| Database: | PERIÓDICA |
| System number: | 000308820 |
| ISSN: | 0104-6632 |
| Authors: | Souza, P.R.N1 Pereira, M.M2 Antunes, O.A.C Aranda, D.A.G Carneiro, J.W.M3 |
| Institutions: | 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 |
| Year: | 2002 |
| Season: | Abr |
| Volumen: | 19 |
| Number: | 2 |
| Pages: | 187-194 |
| Country: | Brasil |
| Language: | Inglés |
| Document type: | Artículo |
| Approach: | Experimental, aplicado |
| English abstract | 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 |
| Disciplines: | Química |
| Keyword: | Química orgánica, Ingeniería química, Catálisis, Hidrogenación, 1,3-butadieno, Modelado molecular |
| Keyword: | Chemistry, Organic chemistry, Chemical engineering, Catalysis, Hydrogenation, 1,3-butadiene, Molecular modelling |
| Full text: | Texto completo (Ver HTML) |
