Sökning: "Oorganisk kemi"

Visar resultat 1 - 5 av 451 avhandlingar innehållade orden Oorganisk kemi.

  1. 1. Partial methane oxidation from electronic structure calculations

    Detta är en avhandling från Gothenburg : Chalmers tekniska högskola

    Författare :Adam Arvidsson; [2017]
    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. Theoretical Studies of Natural Gas Hydrates and H-bonded Clusters and Crystals

    Detta är en avhandling från Linköping : Linköping University Electronic Press

    Författare :Yuan Liu; Lars Ojamäe; Per-Olov Käll; Ben Slater; [2016]
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES;

    Sammanfattning : In this thesis H-bonded systems (natural gas hydrates, water clusters, and crystal ice) are studied by density functional theory (DFT) computations.Natural gas hydrates (NGHs) play an important role in energy and environmental fields: NGHs are considered as a promising backup energy resource in the near-future due to their tremendous carbon content; improper exploration of NGHs could induce geological disasters and aggravate the greenhouse effect. LÄS MER

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

    Detta är en avhandling från Gothenburg : Chalmers tekniska högskola

    Författare :Maxime van den Bossche; [2017]
    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

  4. 4. Development of Polyamide Solvent Extraction Reagents for Trivalent Lanthanides

    Detta är en avhandling från Gothenburg : Chalmers tekniska högskola

    Författare :Mikhail S Tyumentsev; [2016]
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Polyamides; Solvent Extraction; Europium; Rare Earth Elements; Lanthanides; Malonamides;

    Sammanfattning : Rare earth elements (REEs), including lanthanides, are critical materials for many industrial technologies. As a result recycling of end-of-life products containing REEs might be beneficial, as this could partially satisfy the growing demands of industry for these elements. LÄS MER

  5. 5. Surface Stabilization and Electrochemical Properties from a Theoretical Perspective

    Detta är en avhandling från Uppsala : Acta Universitatis Upsaliensis

    Författare :Daniel Petrini; Karin Larsson; Jan-Otto Carlsson; Martin Stutzmann; [2007]
    Nyckelord :Inorganic chemistry; DFT; Diamond; High surface conductivity; Surface reactivity; c-BN; Oorganisk kemi;

    Sammanfattning : Diamond and cubic boron nitride surfaces have extreme properties that can be exploited in novel tribological, electrochemical and electronic applications. Normally insulating diamond surfaces can exhibit high surface conductivities due to hydrogen termination and the nature of the surrounding atmosphere. LÄS MER