Search for dissertations about: "MC simulations"

Showing result 1 - 5 of 33 swedish dissertations containing the words MC simulations.

  1. 1. Evaluation of the Tactoid Formation in Clay Systems

    University dissertation from mediatryck, Lund University

    Author : Maria Jansson; Lund University.; Lunds universitet.; Lund University.; Lunds universitet.; [2019-04-12]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Lera; Montmorillonit; Nano-plattor; Taktoider; Anisotropi; Grov korninga modeller; MD simuleringar; MC simuleringar; SAXS; Svälltryck; Clay; Montmorillonite; Nanoplatelets; Tactoid; Anisotropy; Coarse-grained models; MD simulations; MC simulations; SAXS; Swelling pressure;

    Abstract : Clay minerals consist of anisotropic nanoplatelets where the majority of the clay minerals are highly charged, and thus, swell in aqueous solution. The structure and swelling depend on the type of clay mineral, and also on the ionic composition, and temperature. READ MORE

  2. 2. Swelling and Microstructure of Nanoplatelet Systems

    University dissertation from Lund University, Faculty of Science, Department of Chemistry, Theoretical Chemistry

    Author : Axel Thuresson; Lund University.; Lunds universitet.; Lund University.; Lunds universitet.; [2017]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Nanoplatelets; Model clay system; Coarse grained models; Statistical mechanics; MC simulations; MD simulations; SAXS; Cryo-TEM; Laponite; Montmorillonite; Swelling; Tactoid;

    Abstract : Many clay minerals consist of charged nanoplatelets that swell in an aqueous solution. The swelling and the microstructure depend on the type of clay mineral but are also dependent on, for example, the ionic composition and the temperature of the solution. READ MORE

  3. 3. Synchrotron X-ray Scattering and Monte Carlo Simulations of Structure and Forces in Silicate Nanoplatelet Dispersions

    University dissertation from Lund University, Center for Chemistry and Chemical Engineering, Theoretical Chemistry

    Author : Mo Segad; Lund University.; Lunds universitet.; [2014]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; SAXS; MC simulations; Swelling; Tactoids; EXAFS; DLS; Cryo-TEM; Nanoplatelets; MX80; Na Ca montmorillonite.;

    Abstract : Clays are the world’s most widely used natural material, however, little is known regarding the microstructure as well as the forces involved in clay-water interactions, and their influence on the swelling properties. The utilization of clay platelets is nowadays a key in a number of biological and industrial applications e.g. READ MORE

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

    University dissertation from Lund University

    Author : Giulio Tesei; Lund University.; Lunds universitet.; [2018-08]
    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. 5. Fluorescence studies of complex systems organisation of biomolecules

    University dissertation from Umeå : Kemi

    Author : Denys Marushchak; Umeå universitet.; [2007]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Fluorescence anisotropy; BODIPY; homo and hetero dimerisation; protein aggregates; protein polymer structures; actin polymerisation; FRET; donor–acceptor energy transfer DAET; donor-donor energy migration DDEM; homotransfer; Monte Carlo simulation; MC; Brownian dynamics; BD; Genetic Algorithm; GA.; Ganglioside GM1; NATURAL SCIENCES Chemistry Physical chemistry Biophysical chemistry; NATURVETENSKAP Kemi Fysikalisk kemi Biofysikalisk kemi;

    Abstract : The homo and hetero dimerisation of two spectroscopically different chromophores were studied, namely: 4,4-difluoro-4-bora-3a,4a-diazas-indacene (g-BODIPY) and its 5-styryl-derivative (r-BODIPY). Various spectroscopic properties of the r-BODIPY in different common solvents were determined. READ MORE