TY  - SER
AU  - Morra,G.
AU  - Farrusseng,D.
AU  - Bouchy,C.
AU  - Morin,S.
TI  - Knowledge Based Catalyst Design by High Throughput Screening of Model Reactions and Statistical Modelling
PY  - 2013///
CY  - 
PB  - 
N2  - 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
ER  -