Search for dissertations about: "MC simulations"

Showing result 6 - 10 of 47 swedish dissertations containing the words MC simulations.

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

   Author : Mo Segad; Beräkningskemi; []
   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. 7. 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. 8. Fluorescence studies of complex systems : organisation of biomolecules

   Author : Denys Marushchak; Lennart B.A. Johansson; Alexander Lyubartsev; Umeå universitet; []
   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; Biophysical chemistry; 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

6. 9. Polymer-Mediated Interactions and Phase Behaviour of Polymer-Particle Dispersions

   Author : Sara Haddadi; Beräkningskemi; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; Simulations; Experiments; Particles; Phase transition; Stability; capillary induced phase separation; Polymer solutions; phase diagram; surface effects; Bulk properties;

   Abstract : Interactions between colloidal particles can be modelled by particles grafted with polymers. In this work, structural and physical properties of colloids are investigated under variation of parameters such as pH, ionic strength, and temperature, where aggregation and cluster formation can be monitored in aqueous solution. READ MORE

7. 10. Computer simulations of electronic energy transfer and a molecular dynamics study of a decapeptide

   Author : Maria Lindberg; Umeå universitet; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; Electronic energy transfer; Monte Carlo simulations; two-particle model; GAF-theory; anisotropic systems; fluorescence depolarization ratios; Brownian Dynamics; rotating donors; Molecular Dynamics; peptide; renin inhibitor;

   Abstract : Electronic energy transfer has been investigated in pure donor systems by means of computer simulations. Calculated properties were the probability that the initially excited donor is excited at a time t after the excitation, Gs(t), the mean square displacement of the excitation and different fluorescence observables. READ MORE