Sökning: "Fysikalisk Modellering"

Visar resultat 1 - 5 av 23 avhandlingar innehållade orden Fysikalisk Modellering.

  1. 1. At the Mountains of Modeling : Multiscale Simulations of Desalination by Capacitive Deionization

    Författare :Johan Nordstrand; Joydeep Dutta; Oscar Tjernberg; Maarten Biesheuvel; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Capacitive Deionization; Desalination; Modeling; Multiscale; Simulation; Avsaltning; Kapacitiv Avjonisering; Modellering; Multiskala; Simulering; Material and Nano Physics; Material- och nanofysik; Physics; Fysik;

    Sammanfattning : More than 2 billion people are living in water-scarce areas. Meanwhile, there are enormous amounts of water in the salty oceans. Capacitive deionization (CDI) rises to the challenge with electrochemical cells for desalinating the water. As the CDI field expands, modeling becomes an increasingly important part of the development landscape. LÄS MER

  2. 2. Small and Large, Charged Molecules in Solution and at Interfaces

    Författare :Giulio Tesei; Beräkningskemi; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; molecular modeling; MD simulations; statistical mechanics; SAXS; QCM-D; Hofmeister series; amyloid fibril; lipid bilayer; cell-penetrating peptide; molekylär modellering; MD simuleringar; MC simuleringar; statistisk mekanik; SAXS; QCM-D; amyloidfibriller; cellmembran; cellpenetrerande peptider;

    Sammanfattning : The influence of small and large, charged molecules on the properties of aqueous interfaces has important implications in chemistry, biology, and medicine. For example, at the surface of marine aerosols, the presence of halide anions and tropospheric gases gives way to multiphase chemical reactions affecting climate and air quality. LÄS MER

  3. 3. Modeling the influence of magnesium from alternative raw materials on the chemistry of Portland cement clinker

    Författare :Erik Viggh; Rainer Backman; Dan Boström; Bo Björkman; Umeå universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Thermodynamic modeling; process modeling; Portland cement; clinker; periclase; magnesium oxide; alite; Scheil calculation; solid solutions; Physical Chemistry; fysikalisk kemi;

    Sammanfattning : The methods used in this thesis work were a combination of computational and modeling based laboratory experiments.Thermodynamic process modeling of the cement clinker process offers a tool for evaluating how changes in raw materials and process parameters affect the clinker quality. LÄS MER

  4. 4. Förblandade laminära flammor: Vätgas-kolmonoxid, formalehyd och metanol studerade genom numerisk modellering

    Författare :Ingrid Olsson; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; formaldehyde; hydrogen; premixed laminar flames; rate constants; numerical modelling; methanol; carbon monoxide;

    Sammanfattning : .... LÄS MER

  5. 5. Theoretical and Experimental Studies of Electrode and Electrolyte Processes in Industrial Electrosynthesis

    Författare :Rasmus Karlsson; Ann Cornell; Jan Rossmeisl; KTH; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Electrocatalysis; metallic oxides; ruthenium dioxide; titanium dioxide; DSA; doping; selectivity; ab initio modeling; density functional theory; Elektrokatalys; metalloxider; ruteniumdioxid; titandioxid; DSA; dopning; selektivitet; ab initio-modellering; täthetsfunktionalteori; Chemical Engineering; Kemiteknik;

    Sammanfattning : Heterogeneous electrocatalysis is the usage of solid materials to decrease the amount of energy needed to produce chemicals using electricity. It is of core importance for modern life, as it enables production of chemicals, such as chlorine gas and sodium chlorate, needed for e.g. materials and pharmaceuticals production. LÄS MER