Скачать или смотреть Catalysts for a Sustainable Chemistry: Rational Design

Abstract: One the most important scientific challenges in our actual economy is a transition toward an eco-efficient economy, based on the use of renewable energy and new raw materials replacing fossil resources. In this scenario, the development of new catalyst is a key component. In the present talk, a rational design of active sites will be envisioned, presenting some important parameters for modulating catalytic activity, like particle size, electronic effects and synergetic effects between different active sites. Different examples of catalyst design and their relevance in industrial competitive processes will be highlighted, such as selective hydrogenation of αβ unsaturated aldehydes for fragrance manufacturing [1], water gas shift reaction for removing CO in effluent gas streams [2], Fisher Tropsch reaction for the production of liquid fuels from syngas [3], and CO2 methanation for energy storage [4]. In addition, the role of a multidisciplinary approach combining spectroscopy, theroretical calculation, chemical engineering and synthesis are highlighting, with special interest on the use of in situ spectroscopic tools5. In this direction, the role of spectroscopy in obtaining structure-activity correlations, and in defining the reaction mechanism allowing to direct the synthesis of new catalysts will be discussed. In summary, the aim of the talk is to present a global vision of catalyst design based on fundamental knowledge instead of the common used try and error methodology.

Keywords: Catalysis, spectroscopy, rational design, sustainability.

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