Sökning: "Kinetic theory"

Visar resultat 11 - 15 av 167 avhandlingar innehållade orden Kinetic theory.

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

    Författare :Mikkel Jørgensen; Chalmers tekniska högskola; []
    Nyckelord :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;

    Sammanfattning : 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. LÄS MER

  2. 12. Kinetics of Nanoparticle Catalysis from First Principles

    Författare :Mikkel Jørgensen; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; Density functional Theory; Mean field approximation; Acetylene hydrogenation; Kinetic Monte Carlo; CO oxidation; Entropy; Methane oxidation; Heterogeneous catalysis; Kinetic modeling; Nanoparticles;

    Sammanfattning : Modern society depends heavily on heterogeneous catalysis, which creates strong economical and environmental incentives to improve catalyst efficiency. Heterogeneous catalysts are often realized as metal nanoparticles (NPs) supported on oxide surfaces, and catalysts are traditionally developed by trial and error approaches. LÄS MER

  3. 13. Direct H2O2 synthesis over dilute PdAu alloys

    Författare :Rasmus Svensson; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; kinetic Monte Carlo; H2O2 synthesis; metal-water interface; dynamics; kinetic modeling; dilute alloys; catalysis; density functional theory;

    Sammanfattning : Heterogeneous catalysis is crucial in a range of technological and industrial processes. Depending on the composition of the catalyst and the reaction conditions, it is possible to steer the activity and the selectivity towards the desired products. LÄS MER

  4. 14. Applications of kinetic theory to laser and plasma physics

    Författare :Michail B. Tendler; Uppsala universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP;

    Sammanfattning : .... LÄS MER

  5. 15. Hydrogen in oxides: a density-functional study of thermodynamic and kinetic aspects

    Författare :Mårten Björketun; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; proton conduction; La$_2$Zr$_2$O$_7$; protonation; kinetic Monte Carlo; density functional theory.; BaZrO$_3$; hydrogen oxide systems; electronic structure;

    Sammanfattning : Many solid oxides, especially those possessing a perovskite structure, exhibit significant proton conductivity when being acceptor doped and placed in hydrogen-containing atmospheres. Consequently, they have attracted attention foruse as solid membranes in electrochemical devices such as gas sensors, steam electrolyzers and fuel cells. LÄS MER