Search for dissertations about: "applied catalysis"

Showing result 1 - 5 of 98 swedish dissertations containing the words applied catalysis.

2. 1. Lipase Specificity and Selectivity : Engineering, Kinetics and Applied Catalysis

   Author : Mohamad Takwa; Karl Hult; Bernhard Hauer; KTH; []
   Keywords : MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; Biochemistry; Biokemi;

   Abstract : The specificity and selectivity of the enzyme Candida antarctica lipase B (CALB) were studiedfor several substrates and applications.With help of molecular modeling, the active site of CALB was redesigned for the ring openingpolymerization of D,D‐lactide. READ MORE

4. 2. Hydrogen Storage Materials : Design, Catalysis, Thermodynamics, Structure and Optics

   Author : Carlos Moysés Graça Araújo; Rajeev Ahuja; Ole Martin Løvvik; Uppsala universitet; []
   Keywords : Materials science; Hydrogen-storage materials; Density functional theory; Molecular dynamics; Catalysis; Thermodynamics; Optics; Materialvetenskap;

   Abstract : Hydrogen is abundant, uniformly distributed throughout the Earth's surface and its oxidation product (water) is environmentally benign. Owing to these features, it is considered as an ideal synthetic fuel for a new world energetic matrix (renewable, secure and environmentally friendly) that could allow a sustainable future development. READ MORE

5. 3. Parameter estimation in heterogeneous catalysis

   Author : Jonas Sjöblom; Chalmers tekniska högskola; []
   Keywords : 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;

   Abstract : 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. READ MORE

6. 4. Catalysis of Quantum Chain Photoisomerizations: Calculations of Triplet Energy Surfaces and Measurements of Quantum Yields

   Author : Maria Brink; Chalmers tekniska högskola; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; triplet state; density functional theory; potential energy surface; cis-trans isomerization; adiabatic isomerization; catalysis;

   Abstract : Triplet state cis-trans photoisomerizations of olefins is the theme of this thesis, and the goal is to make the isomerizations as efficient as possible. The shape of the triplet potential energy surface (T1 PES) is essential for this, and the possibility of calculating these T1 PESs for two smaller olefins, using the computationally inexpensive density functional theory (DFT) methods, was investigated. READ MORE

7. 5. N-Heterocyclic Carbene Catalysis in Organic Synthesis - A Green Chemistry Approach

   Author : Linda Ta; Chalmers tekniska högskola; []
   Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; aerobic oxidation; ionic liquid; sustainability; NHC catalysis; oxidative NHC catalysis; green chemistry; OTHO; Organocatalysis;

   Abstract : The twelve principles of green chemistry were created as a response to the multiple environmental issues caused by the release of waste from the chemical industry. The principles acts as a guide in the development of sustainable chemical processes for the syntheses of important molecules needed to sustain our living standards. READ MORE