Search for dissertations about: "Microkinetic modeling"

Showing result 1 - 5 of 6 swedish dissertations containing the words Microkinetic modeling.

  1. 1. Microkinetic Modeling of Nanoparticle Catalysis using Density Functional Theory

    University dissertation from ; Chalmers tekniska högskola; Gothenburg

    Author : Mikkel Jørgensen; [2017]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Density Functional Theory; Methane oxidation; Mean-field approximation; Microkinetic modeling; Kinetic Monte Carlo; Nanoparticles; Entropy; CO oxidation; Catalysis;

    Abstract : 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

  2. 2. Kinetic Studies of NOx Storage and Reduction Catalysts - Flow Reactor Experiments and Microkinetic Modeling

    University dissertation from ; Chalmers tekniska högskola; Gothenburg

    Author : Anna Maria Lindholm; [2009]
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NOx reduction; flow reactor experiments; NOx storage; Pt Ba Al; NSR catalyst; microkinetic modeling; combined NSR and SCR system;

    Abstract : The NOx storage and reduction (NSR) technology is a promising technique to reduce NOx during oxygen excess e.g. in lean burn engine exhaust. A typical NSR catalyst consists of the following components: precious metals, such as platinum, palladium or rhodium, a storage component, usually barium, and a high surface area support, such as γ-alumina. READ MORE

  3. 3. Methane and carbon monoxide oxidation over Pd and Pt -A density functional theory and microkinetic study

    University dissertation from ; Chalmers tekniska högskola; Gothenburg

    Author : Adriana Trinchero; [2013]
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; Methane; microkinetic modeling; heterogenous catalysis; Pd; oxidation; DFT; Pt; carbon monoxide;

    Abstract : .... READ MORE

  4. 4. NOx Storage and Reduction Catalysts. Reduction with Hydrogen and the Influence of Water and Carbon Dioxide

    University dissertation from ; Chalmers tekniska högskola; Gothenburg

    Author : Anna Maria Lindholm; [2007]
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NSR catalyst; Pt Ba Al; H2O; CO2; Pt Al; NOx reduction; H2; NH3 formation; NOx storage; Lean NOx Trap; N2O formation; kinetic modeling; Pt Si;

    Abstract : Environmental concern has increased over the past several years and resulted in stringent emission legislation on NOx, CO, and hydrocarbon emissions from automobile exhausts. Moreover, the demands to improve the fuel efficiency of engines and to lower the CO2 emissions have increased, and a way to meet this is by using lean burn engines which operate with oxygen excess. READ MORE

  5. 5. Experimental and kinetic studies of H2 effect on lean exhaust aftertreatment processes: HC-SCR and DOC

    University dissertation from ; Chalmers tekniska högskola; Gothenburg

    Author : Muhammad Mufti Azis; [2015]
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; HC-SCR; NO oxidation.; Hydrogen effect; NOx reduction; Kinetic modeling; Silver Alumina; DOC; Platinum Alumina;

    Abstract : With a growing concern to lower greenhouse gas emissions from road transportation, lean burn and diesel engines will keep playing an important role in the future. Development of a highly efficient and durable process to reduce NOx to N2 becomes a challenging issue especially in the presence of ample O2 concentration as in lean burn exhaust. READ MORE