Sökning: "Monte Carlo simulations"

Visar resultat 21 - 25 av 440 avhandlingar innehållade orden Monte Carlo simulations.

  1. 21. Assessing Structural and thermodynamical properties of IDP's through Synchrotron X-ray Scattering and Monte Carlo Simulations

    Författare :Carolina Cragnell; Beräkningskemi; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; intrinsically disordered proteins; histatin 5; β-casein; small angle x-ray scattering; Monte Carlo Simulations; coarse graining;

    Sammanfattning : .... LÄS MER

  3. 22. Small Molecule Diffusion in Spherulitic Polyethylene : Experimental Results and Simulations

    Författare :Alessandro Mattozzi; Ulf W. Gedde; Alan H. Windle; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; diffusion; polyethylene; poly ethylene-co-octene ; free volume; morphology; intermediate phase; spherulite; Monte Carlo simulation; Polymer chemistry; Polymerkemi;

    Sammanfattning : The diffusion of small-molecule penetrants in polyethylene is hindered by impenetrable crystals and by the segmental constraints imposed by the crystals on the penetrable phase. Liquid and vapour n-hexane sorption/desorption measurements were performed on metallocene catalyzed homogenous poly(ethylene-co-octene)s. LÄS MER

  4. 23. Polyelectrolyte - Surfactant Interactions in Dilute Suspensions. A Study Based on Monte Carlo simulations and Mean-Field Calcultations

    Författare :Torsten Wallin; Fysikalisk kemi; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; aggregation number; linear charge density; chain flexibility; mean-field; calculation; simulation; Monte Carlo; cmc; cac; interaction; electrostatic; charged; micelle; polyelectrolyte; surfactant; hydrophilic; hydrophobic; Physical chemistry; Fysikalisk kemi;

    Sammanfattning : The complexation of macroions or charged micelles and oppositely charged polyelectrolytes was studied by the use of Monte-Carlo simulations and mean field calculations. The Monte-Carlo simulations were performed on a simple model system with the emphasis on the electrostatic interaction, (i) polyelectrolyte rigidity, (ii) polyelectrolyte linear charge density, (iii) surfactant tail length, and (iv) the polyelectrolyte concentration. LÄS MER

  5. 24. Studies of Supported Catalysts for Environmental Applications: - Flow Reactor Measurements, Monte Carlo Simulations and High Throughput Screening

    Författare :Peter Thormählen; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; catalytic oxidation of carbon monoxide; supported heterogeneous catalysts; flow reactor measurements; high throughput screening; low temperature catalytic activity; cobalt oxide; platinum; temperature programmed methods; Monte Carlo simulations; environmental catalysis;

    Sammanfattning : The use of heterogeneous catalysts for environmental applications, primarily for reduction of harmful emissions from vehicles and stationary sources, has successively increased during the last three decades. Driven by emission regulations, research and development within this area attract large interest and resources, especially for automotive applications. LÄS MER

  7. 25. From Monte Carlo PET Simulations to Reconstructed Images : Modelling and Optimisation for 68Ga Theragnostics

    Författare :Philip Kalaitzidis; Lund Medicinsk strålningsfysik; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Anthropomorphic phantoms; Monte Carlo modelling; Nuclear medicine; PET; SPECT; Theragnostics; Tomographic reconstruction; Fysicumarkivet A:2023 Kalaitzidis;

    Sammanfattning : In nuclear medicine, radiopharmaceuticals can be administered for both diagnostic and therapeutic purposes. In recent years, there has been an increasing interest in theragnostics, a strategy that combines both diagnosis and therapy. LÄS MER