Search for dissertations about: "physical modeling"
Showing result 1 - 5 of 594 swedish dissertations containing the words physical modeling.
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1. Microkinetic Modeling of Nanoparticle Catalysis using Density Functional Theory
University dissertation from ; Chalmers tekniska högskola; GothenburgAbstract : Heterogeneous catalysis is vitally important to modern society, and one path towardsrational catalyst design is through atomistic scale understanding. The atomistic scalecan be linked to macroscopic observables by microkinetic models based on first-principlescalculations. READ MORE
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2. Polymer Gels: Modeling the Swelling Behavior
University dissertation from Physical Chemistry 1, Lund UniversityAbstract : Popular Abstract in Swedish Som man kan se av titeln handlar den här avhandlingen om polyelektrolytgeler. Vad är nu polyelektrolyter och vad är geler? Och vad är de bra till? Polymerer Polymerer är långa molekylkedjor, som förekommer i naturen men som också kan vara gjorda av människan. READ MORE
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3. Modeling DNA Damage
University dissertation from Stockholm : Institutionen för fysikalisk kemi, oorganisk kemi och strukturkemiAbstract : In this thesis methods of computational chemistry have been used to examine DNA damaging processes initiated by ionizing radiation, free radicals, or Low-Energy Electrons (LEE).The computational chemistry method based on quantum mechanics that has been mainly used here is the Density Functional Theory (DFT). READ MORE
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4. Elements of modeling nanoparticle growth: Surface thermodynamics and dispersive interactions
University dissertation from ; Chalmers tekniska högskola; GothenburgAbstract : Metal nanoparticles have in recent decades been the subject of intense research owing to their wide range of size and shape-dependent properties, which makes them interesting candidates for a variety of applications. Gold nanorods represent a particularly intriguing type of particle due to their tunable plasmonic properties. READ MORE
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5. Structure and chemical ordering in metallic nanoparticles from atomic scale modeling
University dissertation from ; Chalmers tekniska högskola; GothenburgAbstract : In the last decades, a wide range of attractive properties have put metallic nanoparticles in the spotlight. These properties, often related to optical response and catalytic performance, are to a large extent dependent on structure and chemical ordering, that is, the distribution of elements in the nanoparticle. READ MORE
