01614nab a2200229 4500 20260520003105.0 260224s2013 xxu ing Inglés Knowledge Based Catalyst Design by High Throughput Screening of Model Reactions and Statistical Modelling ene./feb. 2013 21/10/2013 ; 21/10/2013 17 p. ; 487-504 Transcripción del resumen del autor: Material design and synthesis are key steps in the development of catalysts. They are usually based on an empiric and/or theoretical approach. The recently developed high-throughput experimentation can accelerate optimisation of new catalytic formulations by systematic screening in a predefined study domain. This work aims at developing a QSAR (Quantitative Structure Activity Relationship) method based on kinetic and mechanistic descriptors for metal and acid catalysis. Physico-chemicalfeatures of approximately sixty bimetallic catalysts have been measured according to their performance in two model reactions: xylene hydrogenation for catalysis on metallic sites and isomerisation of 3,3-dimethyl-l-butene for catalysis on acid sites. These descriptors were finally used to model the performances of around twenty catalysts for a more complex reaction: n-decane dehydrogenation. 1 Oil and Gas Science and Technology 68 ARTICULO Morra, G. 53535 Farrusseng, D. 53536 Bouchy, C. 53522 Morin, S. 53537 187934 187934 0 0 0 0 255753 BAAB BAAB 2026-03-06 200060088 0 200060088 2026-03-06 00:17:57 2026-03-06 ARTICULO