Sökning: "Chemical potentials"

Visar resultat 16 - 20 av 138 avhandlingar innehållade orden Chemical potentials.

  1. 16. Linear models for multiscale materials simulations : Towards a seamless linking of electronic and atomistic models for complex metal oxides

    Författare :Akshay Krishna Ammothum Kandy; Peter Broqvist; Jolla Kullgren; Eddie Wadbro; Ben Hourahine; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Force fields; Electronic structure calculations; CCS; DFTB; CCS Q; repulsive fitting; Kemi med inriktning mot materialkemi; Chemistry with specialization in Materials Chemistry;

    Sammanfattning : Multiscale modelling approaches, connecting data from electronic structure calculations all the way towards engineering continuum models, have become an important ingredient in modern materials science. Materials modelling in a broader sense is already amply used to address complex chemical problems in academic science, but also in many industrial sectors. LÄS MER

  3. 17. The Chemistry of Plutonium Solubility

    Författare :Hans Nilsson; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; sorption; colloids; solubility; modeling; oxidation states; plutonium; hydrolysis; actinides;

    Sammanfattning : When designing a repository for spent nuclear fuel it is necessary to assess the possibility that radionuclides will be transported from the repository by groundwater. A limiting factor for such transport is the solubility of any given radionuclide. LÄS MER

  4. 18. Durable Polysulfones with Densely Sulfonated Segments for Highly Proton Conducting Membranes

    Författare :Shogo Takamuku; Centrum för analys och syntes; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; polymer electrolytes; sulfonations; polycondensation; polyaromatics; ionomers; sulfonated monomers; block copolymers; segmented copolymers; sequenced copolymers; poly arylene ether sulfone s; lithiations; sulfinations; metalations; phase-separation; highly sulfonations; macromonomers; blocky structures;

    Sammanfattning : Fuel cells are considered as a promising alternative environmentally benign power source to the existing ones depending on petroleum oil. Especially, proton-exchange membrane fuel cells (PEMFCs) have been intensively developed during the last decade because of their wide application windows including various portable, stationary and transportation applications. LÄS MER

  5. 19. Wood Hemicelluloses - Fundamental Insights on Biological and Technical Properties

    Författare :Jennie Berglund; Mikael Lindström; Gunnar Henriksson; Francisco Vilaplana; Jakob Wohlert; Martin Lawoko; Maija Tenkanen; KTH; []
    Nyckelord :LANTBRUKSVETENSKAPER; AGRICULTURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; LANTBRUKSVETENSKAPER; AGRICULTURAL SCIENCES; hemicellulose; wood; glucomannan; xylan; structure; acetylation; flexibility; solubility; interaction with cellulose; stability.; hemicellulosa; trä; glukomannan; xylan; struktur; acetylering; flexibilitet; löslighet; interaktion med cellulosa; stabilitet.; Fiber- och polymervetenskap; Fibre and Polymer Science;

    Sammanfattning : Hemicelluloses are a group of heterogeneous polysaccharides representing around 30 % of wood where the dominating types are xylans, glucomannans and xyloglucans. Hemicelluloses complex molecular structure makes it difficult to understand the relationship between structure and properties entirely, and their biological role is not yet fully verified. LÄS MER

  7. 20. Lithium-ion insertion in a V6O13 cathode

    Författare :Örjan Bergström; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Chemistry; cathode material; vanadium oxide; lithium insertion; in situ X-ray diffraction; deformation electron density refinement; Kemi; Chemistry; Kemi; Inorganic Chemistry; oorganisk kemi;

    Sammanfattning : The transition metal oxide V6O13 is a promising cathode material for high-capacity lithium-polymer batteries in conjunction with a lithium-metal anode. The electro-chemical behaviour of V6O13 has its origin in the ability of the vanadium ions to change their-oxidation states, combined with the open nature of its crystal structure which allows lithium ions to diffuse through it. LÄS MER