Search for dissertations about: "fysikalisk modellering"

Showing result 1 - 5 of 22 swedish dissertations containing the words fysikalisk modellering.

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

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

    Abstract : 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. READ MORE

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

    Author : Giulio Tesei; Beräkningskemi; []
    Keywords : 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;

    Abstract : 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. READ MORE

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

    Author : Erik Viggh; Rainer Backman; Dan Boström; Bo Björkman; Umeå universitet; []
    Keywords : 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;

    Abstract : 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. READ MORE

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

    Author : Rasmus Karlsson; Ann Cornell; Jan Rossmeisl; KTH; []
    Keywords : 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;

    Abstract : 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. READ MORE

  7. 5. Exploring Biopolymer-Clay Nanocomposite Materials by Molecular Modelling

    Author : Yan Wang; Hans Ågren; Vincenzo Carravetta; KTH; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; bio-nanocomposite; interfacial mechanism; binding affinity; dimensional stability; counterions; hydration; stress-strain behavior; xyloglucan; chitosan; chitin; molecular dynamics; montmorillonite.; 生物复合材料，界面机理，分子间亲和力，材料尺寸稳定性，抗衡离子，水合作用，应力应变表现， 木葡聚糖，壳聚糖，甲壳素，分子动力学模拟，蒙脱土; bio-nanokompositer; gränsytor; affinitet; dimensionsstabilitet; jonhydrering; spännings-töjningsbeteende; xyloglukan; kitosan; kitin; molekyldynamisk; montmorillonit.; Kemi; Chemistry; Fiber- och polymervetenskap; Fibre and Polymer Science; Teknisk materialvetenskap; Materials Science and Engineering;

    Abstract : In this thesis, bio-nanocomposites made from two alternative biopolymers and montmorillonite (Mnt) clay have been investigated by molecular modelling. These biopolymers are xyloglucan (XG) and chitosan (CHS), both of which are abundant, renewable, and cost-effective. READ MORE