Sökning: "Carbon Dioxide : chemistry"

Visar resultat 1 - 5 av 94 avhandlingar innehållade orden Carbon Dioxide : chemistry.

  1. 1. Water film-mediated mineralogical transformations and photocatalytic reactions

    Författare :N. Tan Luong; Jean-Francois Boily; Michael Holmboe; Alejandro Fernandez-Martinez; Umeå universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; mineral; water films; carbon dioxide; MgO; MnCO3; TiO2; hydroxylation; carbonation; oxidation; transformation; photocatalysis; Inorganic Chemistry; oorganisk kemi; nanomaterials; nanomaterial; Physical Chemistry; fysikalisk kemi;

    Sammanfattning : Mineral particles capture water vapor in the atmosphere in the form of water films that are only few monolayers thick. Water films form nanoscale hydration environments that mediate a wide range of important reactions in nature and technology. LÄS MER

  3. 2. 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

  4. 3. Algorithms and Interaction Potentials: phase density, surface tension and carbon dioxide

    Författare :Rasmus Persson; Göteborgs universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; surface tension; carbon dioxide; density of states; bicalutamide;

    Sammanfattning : This thesis is an amalgamation of articles (Papers I–V) by the author. We present a perturbation algorithm to calculate the phase density, and thus the partition function including its temperature dependence. LÄS MER

  5. 4. Surface and Bulk Reactivity of Iron Oxyhydroxides : A Molecular Perspective

    Författare :Xiaowei Song; Jean-François Boily; Glenn Waychunas; Umeå universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Iron oxyhydroxide; adsorption; water; carbon dioxide; FTIR; molecular resolution;

    Sammanfattning : Iron oxyhydroxide (FeOOH) mineral plays an important role in a variety of atmospheric, terrestrial and technological settings. Molecular resolution of reactions involving these minerals is thereby required to develop a fundamental understanding of their contributions in processes taking place in the atmosphere, Earth’s upper crust as well as the hydrosphere. LÄS MER

  7. 5. Mesoporous Titania for High Rate Electrochemical Energy Storage

    Författare :Giulio Calcagno; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Mesoporous Titanium Dioxide; XAS; Pseudocapacitance; Hybrid Asymmetric Supercapacitors;

    Sammanfattning : Mesoporous titanium oxides are increasingly attracting interest as potential candidates for fast electrochemical energy storage. In this thesis, mesoporous titania of different polymorphs have been evaluated in relation to their ability to reversibly store Li+ ions inside their structure. LÄS MER