000			01614nab a2200229 4500
005			20260520003105.0
008			260224s2013 xxu ing
041			_aInglés
245	0	0	_aKnowledge Based Catalyst Design by High Throughput Screening of Model Reactions and Statistical Modelling
260			_a _b _cene./feb. 2013
270			_a21/10/2013 ; 21/10/2013
300			_a17 p. ; 487-504
520			_aTranscripción 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.
581			_a1
773	0		_tOil and Gas Science and Technology _g68
942			_cARTICULO
100	1		_aMorra, G. _953535
100	1		_aFarrusseng, D. _953536
100	1		_aBouchy, C. _953522
100	1		_aMorin, S. _953537
999			_c187934 _d187934