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Visar resultat 1 - 5 av 9 avhandlingar som matchar ovanstående sökkriterier.
1. Parameter estimation in heterogeneous catalysis
Sammanfattning : The detailed modelling of heterogeneous catalytic systems is challenging due to the unknown nature of new catalytic materials as well as the often required transient nature of the resulting models. Thus, this thesis deals with the methodologies involved in the kinetic modelling of heterogeneous catalysis and in particular NOx reduction systems. LÄS MER
2. Partial methane oxidation from electronic structure calculations
Sammanfattning : Investigating catalytic reactions with computational methods is a powerful approach to understand fundamental aspects of catalytic reactions and find ways to guide catalytic design. Partial methane oxidation is one example of a reaction with intriguing challenges, where a detailed atomistic approach may help to unravel the bottlenecks of this, as of yet, inefficient reaction. LÄS MER
3. Partial methane oxidation: insights from first principles and micro-kinetics calculations
Sammanfattning : Partial methane oxidation is a much-desired reaction with some intriguing challenges. Not only is there a need to activate methane and oxygen, but there is also a need to control the selectivity and prevent over-oxidation to thermodynamically more stable products, like carbon dioxide and water. LÄS MER
4. Induced low-temperature catalytic ignition by transient changes in the gas composition
Sammanfattning : .... LÄS MER
5. Methane oxidation over palladium oxide: From electronic structure to catalytic conversion
Sammanfattning : .... LÄS MER
