Search for dissertations about: "ion correlations"
Showing result 1 - 5 of 44 swedish dissertations containing the words ion correlations.
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1. Using Molecular Dynamics Simulations to Explore Critical Property Relationships in Polymer Electrolytes : Polarity, Coordination, Ionic transport, Ion-pairing, and Ion-ion Correlations
Abstract : While ion transport in solid polymer electrolytes (SPEs) has been explored for decades, there still remains controversies about its fundamental properties, often correlated with gaps between experimental and computational studies. Using molecular dynamics simulations to understand the complex transport mechanisms and also to fill these gaps is the main goal of this thesis. READ MORE
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2. Theoretical Investigations of the Role of Ion-Ion Correlations and Ion-Specific Interactions in Electric Double Layers
Abstract : Electric double layers are ubiquitous, arising in some form in almost every situation involving an interface with an aqueous electrolyte solution. In order to gain insight into the behavior of electrolytes and electric double layers, simple models of bulk and inhomogeneous electrolyte solutions are considered in this thesis. READ MORE
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3. Ion Solvation in Critical Binary Aqueous Solvents Probed by Advanced Synchrotron-Based Techniques
Abstract : 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. READ MORE
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4. Charged Polymers: From DNA to Polyampholytes
Abstract : Three main themes are outlined in this thesis: Polyelectrolytes/DNA : In a living cell, DNA molecules have a compact conformation in order to fit in, while in a test tube they will take on an expanded cylindrical shape, due to the negative phosphate groups along the DNA molecule. With the help of computer simulations it has been shown that like-charged monomers of a poly- electrolyte can attract each other if the counterions are taken into account. READ MORE
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5. Double Layer Forces: the Role of Molecular Solvents
Abstract : The dielectric continuum model has rightfully been and continues to be a major workhorse for theory and modelling in Surface and Colloid Chemistry. Due to the implicit description of water, entering only as a scaling constant for charge-charge interactions, one would not expect it to work for short distances. READ MORE