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Visar resultat 1 - 5 av 566 avhandlingar som matchar ovanstående sökkriterier.

1. 1. Catalytic Upgrading of Waste Oils to Advanced Biofuels – Deactivation and Kinetic Modelling Study

   Författare :Prakhar Arora; Chalmers tekniska högskola; []
   Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; Stearic acid; TEM; Advanced biofuels; NiMo; Catalytic HDO; MoS2; Kinetic modelling; Oleic acid; Hydrodeoxygenation;

   Sammanfattning : The demand for liquid hydrocarbons as transportation fuels is enormous and ever growing. Advanced biofuels is one of the promising solutions to keep pace with the global transition to cleaner energy by reducing greenhouse gas emissions from the transport sector. LÄS MER

3. 2. Multiscale modelling of total pressure effects on complete methane oxidation over Pd/Al2O3

   Författare :Carl-Robert Florén; Chalmers tekniska högskola; []
   Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; palladium oxide; mass and heat transport; multiscale modelling; reactor modelling; methane oxidation; first-principles calculations;

   Sammanfattning : The models used in heterogeneous catalysis are becoming more advanced and the literature shows an increased interest in incorporating the atomistic scale into microkinetics. Coupling kinetics based on first-principles calculations to macroscopic effects can pave the way towards more comprehensive modelling methods and to tailored catalyst designs. LÄS MER

4. 3. Modelling Chemical Reactions : Theoretical Investigations of Organic Rearrangement Reactions

   Författare :Per-Erik Larsson; Sten Lunell; Nessima Salhi-Benachenhou; Olle Matsson; Osvaldo Goscinski; Ian H. Williams; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Quantum chemistry; Kvantkemi; Quantum chemistry; Kvantkemi; Quantum Chemistry; Kvantkemi;

   Sammanfattning : Chemical reactions are ubiquitous and very important for life and many other processes taking place on earth. In both theoretical and experimental studies of reactivity a transition state is often used to rationalise the outcome of such studies. LÄS MER

5. 4. Parameter estimation in heterogeneous catalysis

   Författare :Jonas Sjöblom; Chalmers tekniska högskola; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; microkinetic modelling; Jacobian; Parameter estimation; Latent Variable models; Design of experiments; heterogeneous catalysis; sensitivity analysis; Experimental design;

   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

7. 5. Partial methane oxidation from electronic structure calculations

   Författare :Adam Arvidsson; Chalmers tekniska högskola; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; ZSM-5 zeolite; density functional theory; microkinetic modelling; Mo6S8 cluster; partial methane oxidation;

   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