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Neuere Erkenntnisse zum Umsatzverhalten an Dieseloxidationskatalysatoren (DOCs) zeigen, dass das Umsatzverhalten von Schadstoffen vom Oxidationsgrad der verwendeten Edelmetallkatalysatoren abhängen kann. Dabei wird deutlich, dass sich der Oxidationsgrad bei typischen Abgaszusammensetzungen langsam und reversibel mit der Katalysatortemperatur ändert. Das kann bei periodischen Katalysatortemperaturänderungen zu einem ausgeprägten Hystereseverhalten führen. Bisherige Ergebnisse liegen insbesondere zum Verhalten der NO-Oxidation an Platin-Katalysatoren vor. Ziel der vorliegenden Arbeit ist es daher, die Untersuchungen auf seriennahe Pd- und PtPd-Mischkatalysatoren sowie auf andere abgastypische Schadstoffe, wie CO und Kohlenwasserstoffe, zu erweitern und dabei auch den Einfluss der Katalysatoralterung zu erfassen. Es wurde ein globalkinetisches Modell entwickelt und an die experimentellen Befunde angepasst. Dabei zeigte sich, dass es in der Regel möglich ist, das Umsatzverhalten bei reinen Pt- und Pd-Katalysatoren mit diesem örtlich eindimensionalen, makrokinetischen Zweiphasenmodell zutreffend zu beschreiben, wohingegen das Verhalten auf Pt/Pd-Mischkatalysatoren weniger gut simuliert werden kann. Dies ist vermutlich auf die heterogene Struktur der Pt/Pd-legierten Partikel zurückzuführen.

Chemistry. --- Deaktivierung --- Dieseloxidationskatalysator --- Hysterese --- Platin --- Palladium

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Das Ziel dieser Arbeit war die Entwicklung eines kontinuierlichen MOCVS/MOCVD-Verfahrens zur Generierung und Funktionalisierung von gasgetragenen, nanoskaligen Partikeln bei atmosphärischen Bedingungen und dessen Anwendung auf die Herstellung von Siliziumdioxid geträgerten Palladiumkatalysatoren (Pd/SiO2).

MOCVD-Verfahren --- Katalyse --- Funktionalisierung --- Siliziumdioxid --- Palladium --- Nanostrukturiertes Material --- Nanopartikel

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Find out how theoretical calculations are used to determine, elucidate and propose mechanisms for Pd-catalyzed C-C cross-coupling reactions in Max Garcia Melchor's outstanding thesis. Garcia Melchor investigates one of the most significant and useful types of reactions in modern organic synthesis; the Pd-cross coupling reaction. Due to its versatility, broad scope and selectivity under mild conditions, this type of reaction can now be applied in fields as diverse as the agrochemical and pharmaceutical industry. Garcia Melchor studies the reaction intermediates and transition states involved in the Negishi, the copper-free Sonogashira and the asymmetric version of Suzuki-Miyaura coupling. He also characterizes and provides a detailed picture of the associated reaction mechanisms. The author has won numerous prizes for this work which has led to over eight publications in internationally renowned journals.

Catalysts. --- Heterocyclic compounds -- Synthesis. --- Palladium catalysts. --- Chemistry --- Physical Sciences & Mathematics --- Inorganic Chemistry --- Physical & Theoretical Chemistry --- Organopalladium compounds. --- Organic reaction mechanisms. --- Mechanisms, Organic reaction --- Catalytic agents --- Palladium organic compounds --- Chemistry. --- Organic chemistry. --- Chemistry, Physical and theoretical. --- Catalysis. --- Theoretical and Computational Chemistry. --- Organic Chemistry. --- Reaction mechanisms (Chemistry) --- Catalysis --- Chemical inhibitors --- Organotransition metal compounds --- Palladium compounds --- Chemistry, Organic. --- Activation (Chemistry) --- Chemistry, Physical and theoretical --- Surface chemistry --- Organic chemistry --- Physical sciences --- Chemistry, Theoretical --- Physical chemistry --- Theoretical chemistry --- Organic compounds --- Synthesis.

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In this thesis, the author developed cross-coupling reactions that proceed in the solid state without using organic solvents, utilizing a mechanochemical synthesis method using a ball mill. Compared to conventional solution systems, the reactions realized a drastic reduction of chemical waste, a drastic acceleration of chemical reactions, and efficient transformations of insoluble compounds. The thesis demonstrates that mechanochemical synthesis method has the potential to revolutionize organic synthesis. Readers can learn not only about mechanochemical synthesis but also about new reactions and syntheses of new compounds that could not be obtained under solution conditions. Recently, mechanochemical synthesis has become increasingly popular among a wide range of researchers as an environmentally friendly and highly efficient method, so this thesis has a timely publication.

Mechanical chemistry. --- Palladium catalysts. --- Chemistry, Organic. --- Chemistry. --- Reaction mechanisms (Chemistry). --- Green chemistry. --- Catalysis. --- Organic Chemistry. --- Chemical Synthesis. --- Reaction Mechanisms. --- Green Chemistry.

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groene economie --- xyleen --- General biochemistry --- Mn (mangaan) --- Chemical technology --- groene chemie --- biotechnologie --- biochemie --- oplosmiddelen --- Biotechnology --- Enzymology --- katalyse --- groene biotechnologie --- polymeren --- chemische technologie --- Macromolecules --- Co (kobalt) --- Green chemistry. --- Pd (palladium) --- palladium --- Catalysis --- Chimie de l'environnement --- Catalyse --- Applications industrielles --- duurzame ontwikkeling --- chemie --- Chemistry --- Electrochemistry --- elektrochemie --- milieuchemie --- smeermiddelen --- recyclage --- toxicologie --- lubricant --- Toxicology --- moleculaire biologie --- biomassa --- farmacologie --- rheologie --- elektrolyten --- katalysatoren --- H (waterstof) --- enzymen