Sökning: "NATURAL SCIENCES Chemistry Theoretical chemistry"

Visar resultat 6 - 10 av 562 avhandlingar innehållade orden NATURAL SCIENCES Chemistry Theoretical chemistry.

  1. 6. 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

  3. 7. Exploring new protic ionic liquids: From synthesis to fundamental properties

    Författare :Eduardo Maurina Morais; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; thermal analysis; acidity; transport properties; DFT; Protic ionic liquids;

    Sammanfattning : The ionic liquid community frequently leverages the selling point that more than a million new ionic liquids could conceivably be created. Nonetheless, the number of commercially available compounds is orders of magnitude lower. LÄS MER

  4. 8. Interactions Between Water and Cellulose Esters

    Författare :Robin Nilsson; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; cellulose acetate; wide-angle X-ray scattering; water absorption; Hansen Solubility Parameters; glass transition; water diffusion;

    Sammanfattning : Biopolymers, which are produced from natural sources, are gaining interest as a potential replacement for fossil-based polymers. As such, they are already widely used in several industries, including the food, healthcare, and personal care industries. LÄS MER

  5. 9. Reaction kinetics of NH3-SCR over Cu-CHA from first principles

    Författare :Yingxin Feng; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Catalysis; microkinetic modeling; density functional theory; Cu-CHA; ammonia assisted selective catalytic reduction;

    Sammanfattning : Ammonia-assisted selective catalytic reduction (NH3-SCR) is an advanced technology to reduce nitrogen oxide (NOx) emissions from lean-burn engines. NH3 is added to the exhaust gas and reacts selectively with NOx, forming N2 and H2O. LÄS MER

  7. 10. Biomimetic Iron Complexes involved in Oxygenation and Chlorination : A Theoretical Study

    Författare :Holger Noack; Margareta R. A. Blomberg; Per E. M. Siegbahn; Martin Kaupp; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; biomimetic; iron; density functional theory; intradiol; chlorination; adpic acid; diamond core; reactivity; Bio-inorganic chemistry; Bio-oorganisk kemi; Theoretical chemistry; Teoretisk kemi; kemisk fysik; Chemical Physics;

    Sammanfattning : Biomimetic chemistry is directed towards the simulation of enzymatic reactivity with synthetic analogues. In this thesis a quantum chemical method has been employed to study the mechanism of highly reactive iron-oxo complexes involved in oxygenation and chlorination of organic substrates. LÄS MER