Sökning: "mean-field kinetics simulations"

Hittade 3 avhandlingar innehållade orden mean-field kinetics simulations.

  1. 1. 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. 2. Transient Phenomena in CO and Hydrocarbon Oxidation over Supported Platinum Catalysts

    Författare :Per-Anders Carlsson; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; mean-field kinetics simulations; ignition; environmental heterogeneous catalysis; flow-reactor studies; periodic operation; extinction; low-temperature activity; transient methods; in situ spectroscopy;

    Sammanfattning : The aim with this thesis work was to better understand transient phenomena involved in the low-temperature oxidation of CO and hydrocarbons by oxygen over typical oxidation catalysts. Supported platinum catalysts were prepared and carefully studied under transient conditions by means of flow-reactor experiments, different in situ spectroscopic (FTIR and XANES) methods in combination with mass spectrometry and mean-field kinetics simulations. LÄS MER

  4. 3. Low temperature CO oxidation: Effects of support, composition and structure

    Författare :Noemi Bosio; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES;

    Sammanfattning : Carbon monoxide is a tasteless, colorless and in-odorous toxic gas, which is formed during incomplete combustion. Due to its toxicity, efficient methods for CO oxidation to CO2 are required. LÄS MER