Sökning: "water solvation"
Visar resultat 16 - 20 av 56 avhandlingar innehållade orden water solvation.
16. Ion Solvation in Critical Binary Aqueous Solvents Probed by Advanced Synchrotron-Based Techniques
Sammanfattning : The Poisson-Boltzmann equation is the standard tool for studying the electrostatic interactions in electrolyte solutions, although it neglects e.g. the ion size and ion-ion correlations. Even experimentally observed specific ion effects cannot be explained in a view of this approximation. LÄS MER
17. Emissions of organic compounds from technosphere articles : Measurements and modeling of mass transfer from consumer goods and building materials to air and water
Sammanfattning : This thesis describes the development of a generic model for predicting the emissions of organic compounds from materials used in the manufacture of various goods and products. Many products contain organic substances that are not bound to the matrix formed by their constituent materials and are thus able to dissociate from the material and become transferred into the surrounding environment. LÄS MER
18. Hydration, solvation and hydrolysis of multicharged metal ions
Sammanfattning : Structures of hydrated, solvated and hydrolyzed multicharged metal ions are determined by EXAFS and LAXS in solution, and by X-ray crystallography and EXAFS in the solid state. During hydrolysis, the nine-coordinate hydrated thorium(IV) ion is first transformed to a dimer, [Th₂(μ²-OH)₂(H₂O)₁₂]⁶⁺, then to a tetramer, [Th₄(μ²-OH)₈(H₂O)₁₆]⁸⁺, and finally to a hexamer, [Th₆(μ³-O₈)(H₂O)n]⁸⁺ with increasing pH and thorium(IV) concentration in an aqueous solution. LÄS MER
19. Towards simulating fully charged protein-DNA systems in water : Zif268-DNA as a test case
Sammanfattning : In this thesis, we develop a computing strategy to simulate fully charged protein-DNA systems with a general force field (GROMOS87). The ions neutralizing the phosphates (P-ions) are submitted to global symmetry constraints. A model exhibiting ionic-atmosphere effects on mobile P-ions was implemented via very weak restraint forces. LÄS MER
20. Spectroscopic studies of solvation and adsorption properties of PVP
Sammanfattning : The adsorption mechanism of 1-vinyl-2-pyrrolidone (VP), poly(1-vinyl-2- pyrrolidone) (PVP) and azelaic acid on synthetic gamma-aluminium oxide surfaces was investigated using FT-IR, FT-Raman, UV, 1H and 13C NMR spectroscopy. (Liquid-solid state) As a first step the solvation of VP and PVP in solvents of varying polarity, specifically water, ethylene glycol (EG), chloroform and carbon tetrachloride, was studied. LÄS MER