Experimentelle und theoretische Untersuchungen zu Reaktionen stickstoffhaltiger Spezies

By (author) Dennis Gratzfeld

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Extent: 216, 216 pages

Publisher: Logos Verlag Berlin

Subjects: Earth & Life Sciences 

Language: English

Paperback (Published)

(November 2019)

ISBN: 9783832550172

6.65 x 9.45 inches

Price: $84.00

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In der vorliegenden Arbeit wurden ausgewahlte Reaktionen stickstoffhaltiger Spezies mit Bezug zur Luftschadstoffproblematik der Stickoxide experimentell und theoretisch untersucht. Es wurde deutlich, dass die Reaktionen von Harnstoff im Kontext von Abgasnachbehandlungssystemen einem komplexen, phasenubergreifenden Mechanismus folgen, dessen Aufklarung nur durch eine systematische Kombination theoretischer und experimenteller Methoden realisierbar ist. Zur weiteren experimentellen Untersuchung der Elementarkinetik von Reaktionen stickstoffhaltiger Spezies wurde eine heizbare Stromungsapparatur mit Molekularstrahl-Probenahme und massenspektrometrischer Detektion aufgebaut, umfassend charakterisiert und anhand des Reaktionssystems NO + O2 validiert. Zusatzlich wurden Kondensationsreaktionen von Harnstoff im Kontext der Ablagerungsbildung in der selektiven katalytischen Reduktion mit quantenchemischen Methoden untersucht. Dazu erfolgte zunachst die hochgenaue Berechnung der Standardbildungsenthalpien in der Gasphase ausgewahlter Harnstoffderivate auf Coupled-Cluster-Niveau. Darauf aufbauend wurden mogliche Reaktionspfade der Harnstoffkondensation unter Berucksichtigung des Einflusses von Wassermolekulen systematisch charakterisiert.

  • By (author) Dennis Gratzfeld

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