Search for dissertations about: "Kemisk bindning"

Showing result 1 - 5 of 18 swedish dissertations containing the words Kemisk bindning.

  2. 1. Interfacial properties of calcium montmorillonite in aqueous solutions : Density functional theory and classical molecular dynamics studies on the electric double layer

    Author : Guomin Yang; Göran Lindbergh; Ivars Neretnieks; Michael Holmboe; Jan Forsman; KTH; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Clay minerals; Bentonite; density functional theory; molecular dynamics; GROMACS; electric double layer; electrolytes; ionic liquids; primitive model; CLAYFF forcefield.; Chemical Engineering; Kemiteknik;

    Abstract : The swelling properties of Bentonite are highly affected by clay content and the clay-water interactions that arise from the ion distribution in the diffuse double layer formed near the charged montmorillonite (or smectite) surfaces. Existing continuum models describing the electric double layers, such as classical Poisson-Boltzmann and DLVO theory, ignore the ion-ion correlations, which are especially important for multivalent ions at high surface charge and ionic strength. READ MORE

  4. 2. Computational-chemistry studies of hydrogen bonding networks in crystalline materials and liquid water

    Author : Tomas Hirsch; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Kemisk bindning;

    Abstract : .... READ MORE

  5. 3. Femtosecond Dynamics and Photochemistry in Solution

    Author : Marcus Rasmusson; Kemisk fysik; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Kemi; Chemistry; cross-correlation function; chloroiodomethane; dihalides; bromobenzene; ion pairs; solvation; vibrational relaxation; charge-transfer; tetranitromethane; electron transfer; femtosecond spectroscopy; dissociation; Photochemistry; Fotokemi; Chemical technology and engineering; Kemiteknik och kemisk teknologi;

    Abstract : The reaction dynamics of several polyatomic systems have been investigated in solution by femtosecond spectroscopy. Tetranitromethane-naphtalene complexes excited in the charge-transfer band at 400 nm undergo dissociative electron transfer, resulting in three primary products: [naphthalene].+, NO2 and C(NO2)3-. READ MORE

  6. 4. Modeling of Hindered Diffusion in Gels

    Author : Jan Gutenwik; Avdelningen för kemiteknik; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; effective diffusion coefficient; pore size distribution; obstruction; immobilization; modeling; adsorption kinetics; hindered diffusion; simulation program; proteins; Chemical technology and engineering; Kemiteknik och kemisk teknologi;

    Abstract : Hindered diffusion occurs in the most different processes, as has been described in this thesis. It is very important to have an understanding of the influence of hindered diffusion on the mass transfer rate, especially when competing rate processes are acting simultaneously. READ MORE

  7. 5. Conformational and Dynamical Aspects of Conjugated Polymers and Oligomers of Interest for Photoluminescence

    Author : Mette Grage; Kemisk fysik; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; femtosecond spectroscopy; conformations; anisotropy; excitation transfer; oligothiophene radical cations; MEH-PPV; Conjugated polymers; polythiophene; resonance Raman spectroscopy.; Chemistry; Kemi; Physics; Fysik;

    Abstract : Transient absorption laser spectroscopy and resonance Raman spectrscopy have been used to study conjugated polymers and oligomers. To extract more information the measurements have been compared to computer simulations and calculations. READ MORE