Search for dissertations about: "micro-kinetic modeling"

Found 3 swedish dissertations containing the words micro-kinetic modeling.

  2. 1. Direct conversion of methane-to-methanol in Cu-exchanged small-pore zeolites

    Author : Unni Engedahl; Chalmers tekniska högskola; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; partial methane oxidation; SSZ-13; density functional theory; catalysis; micro-kinetic modeling; zeolites; CHA; copper;

    Abstract : Fossil fuel consumption continuous to increase worldwide and of all the fossil fuels, natural gas is growing the most. The combustion of natural gas, which mainly contains methane, is more environmentally friendly than oil or coal thanks to its high specific energy. READ MORE

  4. 2. Photocatalysis for Indoor Air Cleaning : In situ FTIR and DFT Study of Acetaldehyde Photo-Oxidation on TiO2 and Sulfate-Modified TiO2

    Author : Bozhidar Stefanov; Lars Österlund; Uppsala universitet; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; TiO2; acetaldehyde; crotonaldehyde; dimer; adsorption; DFT; FTIR; photocatalysis; micro-kinetic modeling; acid–base properties; surface functionalization; Solid State Physics; Fasta tillståndets fysik; Materialvetenskap; Materials Science;

    Abstract : Acetaldehyde is among the group of VOC’s causing the so-called "sick building" syndrome. WHO has estimated that this problem, related to the indoor air-quality, affects one third of all buildings worldwide. TiO2 is an attractive material for the photocatalytic removal of VOC’s in the indoor environment. READ MORE

  5. 3. Dynamics and Reactivity of Cu-species in Cu-CHA for NH3-SCR

    Author : Joachim Bjerregaard; Chalmers tekniska högskola; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Machine Learning Force Field; Diffusion; Cu-CHA; NH3-SCR; DFT; Sulfur Deactivation;

    Abstract : Copper exchanged chabazite (Cu-CHA) is a state-of-the-art catalyst for deNOx via ammonia assisted selective catalytic reduction (NH3-SCR) in lean burn engines, owing to its good low-temperature activity, and high hydrothermal stability. One challenge for Cu-CHA is, however, the sensitivity to sulfur species, which are present in the exhaust gas. READ MORE