Sökning: "Global reaction mechanism"

Visar resultat 1 - 5 av 31 avhandlingar innehållade orden Global reaction mechanism.

  1. 1. Reaction mechanism of metalloenzymes studied by theoretical methods

    Författare :Geng Dong; Beräkningskemi; []
    Nyckelord :Metalloenzymes; Reaction mechanism; QM MM; DFT; DMRG; CAS-srDFT; Big-QM; QTCP;

    Sammanfattning : Metalloenzymes catalyse a wide variety of reactions in nature. In the thesis, I have studied the reaction mechanism of three metalloenzymes, viz. LÄS MER

  3. 2. Studies of hydrocarbon-assisted selective catalytic reduction of nitrogen oxides - DME as reductant and reaction mechanism over silver/alumina

    Författare :Stefanie Tamm; Chalmers tekniska högskola; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; ZSM-5; NCO; HC-SCR; Dimethyl ether; reaction mechanism; silver alumina;

    Sammanfattning : Increasing amounts of carbon dioxide are attaining worldwide growing attention as one probable cause for global warming. Together with the expected peak in oil production and an increasing oil demand, this results in a greater interest in more fuel effective lean burn engines (i.e. operation with excess oxygen). LÄS MER

  4. 3. Global bifurcations and chaotic dynamics in physical applications

    Författare :Martín G. Zimmermann; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Quantum chemistry; Global bifurcations; Šil´nikov phenomenon; degenerate homoclinic orbit; onset of spatiotemporal chaos; heteroclinic cycles; orientation- and inclination-flip bifurcations; Kvantkemi; Quantum chemistry; Kvantkemi; Quantum Chemistry; kvantkemi;

    Sammanfattning : The aim of this work has been to analyse global bifurcations arising in a laser with injectedsignal and in a catalytic reaction on a surface of Pt, from the point of view of dynamicalsystems theory.The 3-dimensional ordinary differential equation which models the laser was found to contain a homoclinic orbit to a saddle-focus equilibrium, what corresponds to the Šil´nikov phenomenon. LÄS MER

  5. 4. CFD Modeling of Combustion in Flexi-Fuel Burners at Gas Turbine Conditions

    Författare :Abdallah Abou-Taouk; Chalmers tekniska högskola; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; SAS-SST; Global reaction mechanism; CFD; LES; RANS; Combustion; PSR; Chemistry;

    Sammanfattning : The main source of energy in the nearest future will come from fossil fuels. Increasing demands on environmentally friendly energy conversion implies that pollutants, such as CO and NOx, need to be reduced. LÄS MER

  7. 5. Optimization of Chemical Kinetic Mechanisms and Numerical Simulations of Industrial Gas Turbine Burners

    Författare :Abdallah Abou-Taouk; Chalmers tekniska högskola; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; SAS-SST; LES; Gas Turbine Combustion; Swirling Flow; Global Mechanism; Finite Rate Chemistry; Partially Premixed Flames; Chemistry Reduction; RANS;

    Sammanfattning : Increasing demands on environmentally friendly energy conversion indicate that pollutants need to be reduced. Computational Fluid Dynamics is efficiently used today in turbulent reaction flow simulations to gain a deeper understanding of the combustion process and consequently be able to improve combustor design and reduce emissions. LÄS MER