Sökning: "chemical structure"

Visar resultat 1 - 5 av 2423 avhandlingar innehållade orden chemical structure.

  1. 1. 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

  2. 2. Green aromatics for a bio-based economy - Valorization of biomass derived model compounds over zeolites studied by online analysis

    Författare :Christopher Sauer; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; online analysis; zeolite; biomass conversion; catalysis; 2; 5-dimethylfuran;

    Sammanfattning : In the strive towards sustainable chemical production, its carbon-based products can no longer be produced from fossil resources but need to be manufactured from a renewable feedstock. Simple aromatic building blocks like benzene, toluene and xylenes (BTX) can be obtained by catalytic valorization of biomass derived platform molecules such as furans provided efficient catalysts can be formulated. LÄS MER

  3. 3. Transient In Situ Studies on Supported Catalysts: CO2 Methanation and Methane Oxidation

    Författare :Felix Hemmingsson; Chalmers tekniska högskola; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; CH4 oxidation; Catalytic methanation; Hydrogenation; Sabatier reaction; CO2 reduction; HE-XRD; XAS; DRIFTS; AP-XPS; Heterogeneous catalysis; In situ spectroscopy;

    Sammanfattning : This dissertation aims to increase the understanding of important steps in the catalytic CO2 hydrogenation and total methane oxidation reactions over supported noble metal catalysts. A general theme is the role of the metal oxide support for the catalytic reactions. LÄS MER

  4. 4. Thermoelectric plastics: Structure-property relationships of P3HT

    Författare :Jonna Hynynen; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; P3HT; structure-property relationships; F4TCNQ; vapor doping; Thermoelectric plastic;

    Sammanfattning : The advancing development of inter-connected small devices, so-called Internet of Things is increasing the demand for independent power sources. Heat is an abundant and often wasted source of energy, thermoelectric generators could be used to harvest this waste energy. Small devices such as heart-rate monitors or gas sensors etc. LÄS MER

  5. 5. Methane oxidation over palladium oxide. From electronic structure to catalytic conversion

    Författare :Maxime van den Bossche; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; core-level spectroscopy; heterogeneous catalysis; PdO 101 ; palladium oxide; methane oxidation; microkinetic modelling; density functional theory;

    Sammanfattning : Understanding how catalysts work down to the atomic level can provide ways to improve chemical processes on which our contemporary economy is heavily reliant. The oxidation of methane is one such example, which is important from an environmental point of view. LÄS MER