Search for dissertations about: "chemical catalysis"

Showing result 1 - 5 of 379 swedish dissertations containing the words chemical catalysis.

  1. 1. Microkinetic Modeling of Nanoparticle Catalysis using Density Functional Theory

    University dissertation from Gothenburg : Chalmers tekniska högskola

    Author : Mikkel Jørgensen; [2017]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Density Functional Theory; Methane oxidation; Mean-field approximation; Microkinetic modeling; Kinetic Monte Carlo; Nanoparticles; Entropy; CO oxidation; Catalysis;

    Abstract : Heterogeneous catalysis is vitally important to modern society, and one path towardsrational catalyst design is through atomistic scale understanding. The atomistic scalecan be linked to macroscopic observables by microkinetic models based on first-principlescalculations. READ MORE

  2. 2. Computational Studies of Chemical Interactions: Molecules, Surfaces and Copper Corrosion

    University dissertation from Stockholm : KTH Royal Institute of Technology

    Author : Joakim Halldin Stenlid; KTH.; [2017]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; computational chemistry; density functional theory; chemical interactions; reactivity descriptors; copper corrosion; surface and materials science; nucleophilic substitution reactions; heterogeneous catalysis; transition metal oxides; nanotechnology; beräkningskemi; täthetsfunktionalteori; kemiska interaktioner; reaktivitetsdeskriptorer; kopparkorrosion; yt- och materialvetenskap; nukleofila substitutionsreaktioner; heterogen katalys; överångsmetalloxider; nanoteknologi; Kemi; Chemistry;

    Abstract : The chemical bond – a corner stone in science and a prerequisite for life – is the focus of this thesis. Fundamental and applied aspects of chemical bonding are covered including the development of new computational methods for the characterization and rationalization of chemical interactions. READ MORE

  3. 3. Operando X-ray Absorption Spectroscopy Studies of Methane Oxidation Catalysts

    University dissertation from Gothenburg : Chalmers tekniska högskola

    Author : Johan Nilsson; [2017]
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; operando spectroscopy; XAS; palladium; heterogeneous catalysis; methane oxidation; XAFS;

    Abstract : Operando spectroscopy is an experimental method in catalysis that combines measurements of catalytic activity and selectivity with simultaneous in situ spectroscopic characterization of the catalyst. Since the structure and composition of the catalyst are probed under reaction conditions, the method can provide valuable information to elucidate the mechanism of the studied reaction. READ MORE

  4. 4. Novel Pincer Complex-Catalyzed Transformations Including Asymmetric Catalysis

    University dissertation from Stockholm : Institutionen för organisk kemi

    Author : Juhanes Aydin; Stockholms universitet.; [2009]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; pincer; palladium; catalysis; chiral; asymmetric; palladium IV; allylation; aldol; aminoacid; C-H functionalization; cross-coupling; homoallylic; heck reaction; tridentate ligand; NATURAL SCIENCES Chemistry; NATURVETENSKAP Kemi; Organic Chemistry; organisk kemi;

    Abstract : This thesis is focused on the development of new pincer complex-catalyzed transformations. Optimization of the catalytic properties (fine-tuning) was directed to increase the catalytic activity as well as the chemo-, stereo- and enantioselectivity of the complexes. READ MORE

  5. 5. Interactions of methane and carbon monoxide with platinum - Supported catalysts and chemical sensors

    University dissertation from Stockholm : Institutionen för organisk kemi

    Author : Elin Becker; [2010]
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Periodic operation In situ spectroscopy; XAS; CO; Sensing mechanism; Low-temperature activity; XANES; Pt; Environmental catalysis; Support material; CH4; Chemical sensors;

    Abstract : This thesis aims at increasing the understanding of the interactions of methane and carbon monoxide with platinum in connection to catalysis and sensor technology for emission control. Specifically, the low-temperature oxidation of methane and carbon monoxide over supported platinum catalysts and the sensor response mechanism towards CO of platinum-based chemical field effect sensors were studied. READ MORE