Multiscale modelling for automotive exhaust-gas aftertreatment [Elektronische Ressource] : from the quantum chemistry to the engineering level / presented by Oliver Richard Inderwildi

Multiscale Modelling for AutomotiveExhaust-Gas Aftertreatment– From the Quantum Chemistry to the Engineering LevelD I S S E R T A T I O Nsubmitted to theCombined Faculties for the Natural Sciences and for Mathematicsof the Rupertus-Carola University of Heidelberg, Germanyfor the degree ofDoctor of Natural Sciencespresented byOliver Richard Inderwildi, M.Sc.born in Zurich, SwitzerlandExaminers: Prof. Dr. Dr. h.c. Jürgen WarnatzProf. Dr. Olaf DeutschmannthHeidelberg, 15 of July 2005 Interdisziplinäres Zentrum für Wissenschaftliches RechnenRuprecht - Karls - Universität Heidelberg2005D I S S E R T A T I O Nsubmitted to theCombined Faculties for the Natural Sciences and for Mathematicsof the Rupertus-Carola University of Heidelberg, Germanyfor the degree ofDoctor of Natural Sciencespresented byOliver Richard Inderwildi, M.Sc.born in Zurich, SwitzerlandMultiscale Modelling for AutomotiveExhaust-Gas Aftertreatment– From the Quantum Chemistry to the Engineering LevelExaminers: Prof. Dr. Dr. h.c. Jürgen WarnatzProf. Dr. Olaf DeutschmannAbstractIn this work the behaviour of a novel automotive catalytic converter is theoreticallyinvestigated using a multiscale-modelling approach. Processes ranging from the nano-scale(chemical reactions) to the macro-scale (transient conversions in a single monolithic channelof a catalyst) are addressed by different modelling techniques.