Principles and Methods for Accelerated Catalyst Design and Testing

High throughput experimentation has met great success in drug design but it has, so far, been scarcely used in the field ofcatalysis. We present in this book the outcome of a NATO ASI meeting that was held in Vilamoura, Portugal, between July 15 and 28, 2001, with the objective of delineating and consolidating the principles and methods underpinning accelerated catalyst design, evaluation, and development. There is a need to make the underlying principles of this new methodology more widely understood and to make it available in a coherent and integrated format. The latter objective is particularly important to the young scientists who will constitute the new catalysis researchers generation. Indeed, this field which is at the frontier offundamental science and may be a renaissance for catalysis, is one which is much more complex than classical catalysis itself. It implies a close collaboration between scientists from many disciplines (chemistry, physics, chemical and mechanical engineering, automation, robotics, and scientific computing in general). In addition, this emerging area of science is also of paramount industrial importance, as progress in this area would collapse the time necessary to discover new catalysts or improve existing ones.

Inhalt
Section 1-Lectures.- Challenges and Strategies for the Implementation of Combinatorial Methods and High Throughput Testing in Heterogeneous Catalysis.- Problems and Challenges About Accelerated Testing of the Catalytic Activity of Catalysts.- Mass Transfer Limitations: A Bottleneck for High Throughput Screening in Multiphase Catalysis?.- Combinatorial Methodology and its Experimental Validation by Parallel Synthesis, Testing And Characterization of Solid Catalytic Materials.- The Combinatorial Approach for Heterogeneous Catalysis: a Challenge for Academic Research.- An Evolutionary Strategy for the Design and Evaluation of High- Throughput Experiments.- Organometallic Combinatorial Chemistry.- Application of Genetic Algorithms to the Development and Optimisation of Light Paraffin Isomerisation Catalysts.- Serial and Parallel Ways to Enhance and Accelerate Catalyst Testing.- Rapid Catalyst Testing in The Boreskov Institute of Catalysis.- Analysis and Modelling of Multi-Site Acid Catalysts.- Combinatorial and High Throughput Approaches in Heterogeneous Catalysis: Reality or Illusion.- Ultrafast Gas Chromatography.- SECTION 2Communications.- Parallel Catalytic Synthesis of Phosphines and Related Ligands.- Mixed Oxide Catalysts for Oxidation of Propane to Acrylic Acid: a Method for the Preparation of Realistic Catalyst Libraries and Their Quantitative Assessment.- High Throughput Testing of Catalysts for the Hydrogenation of Carbon Monoxide to Ethanol.- Transformation of Short Chain n-Alkanes on Dodecatungstophosphoric Acid and its Cesium Salts.- Complete Catalytic Oxidation of Methane and Ethane over Supported Platinum, Palladium and Manganese Oxide Catalysts.- Rational Catalyst Selection and Optimization Versus Combinatorial? Case Study: Hydrogenolysys of Ethyl Laurateto 1-Dodecanol on Ru(Rh)-Sn(Re)/?-Al2o3 Catalysts.- Studies on the Ultrasonic Enhancement of the Catalytic Activity in the Hydrogenation of Citral.- Future Trends in the Worldwide Oil Refining Industry.- Catalyst Preparation and Testing for Catalytic Combustion of Chloromethanes.- Impulse Oscillation Model for Accelerated Catalyst Design.- Catalytic Oxidation of BINAP on (BINAp)Rh(co)cl.- Catalysts for Wastewater Treatment.- The Routes of Deep Oxidation Reactions on the CuCl2/Al203 Catalysts in the Ethylene Oxychlorination Process.- The Catalytic Dehydrochlorination of Polychloroethanes in a Gas Phase.- The Bimetallic Co-Containing Supported on Alumina Catalysts in the Synthesis on the Base of Carbon Oxides.- Theoretical Investigations of Mo Catalysts in Olefin Metathesis.- Differential Thermal Analysis and Thermal Gravimetry as Fast Methods to Test Catalytic Oxidation of Carbon Particulates.- Aniline Methylation over Modified Micro- and Mesoporous Catalysts.- Live Catalysis.- SECTION 3Workshop.- Accelerated Catalyst Preparation and Characterisation.- Methods and Standards of Accelerated Catalyst Testing.- SECTION 4Conclusions.- Principles and Methods for Accelerated Catalyst Design, Preparation, Testing, and Development: Conclusions of the NATO Advanced Study Institute.- Participants.- Author Index.

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