Search for dissertations about: "Thermodynamic calculation modelling"

Showing result 1 - 5 of 9 swedish dissertations containing the words Thermodynamic calculation modelling.

  2. 1. Thermodynamic and kinetic properties of Fe-Cr and TiC-ZrC alloys from Density Functional Theory

    Author : Vsevolod Razumovskiy; Pavel Korzhavyi; Andrei Ruban; Malin Selleby; Sergei Dudarev; KTH; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; ab initio; first principles; point defects; vacancy clusters; alloys; steels; iron; carbides; diffusion; phase diagram; density functional theory; elastic constants; elastic properties; thermodynamic modelling;

    Abstract : The complete and accurate thermodynamic and kinetic description of any systemis crucialfor understanding and predicting its properties. A particular interest is in systemsthat are used for some practical applications and have to be constantly improved usingmodification of their composition and structure. READ MORE

  4. 2. Atomic Scale Modelling in Photoelectrocatalysis : Towards the Development of Efficient Materials for Solar Fuel Production

    Author : Giane B. Damas; Carlos Moyses Araujo; Rajeev Ahuja; Clas Persson; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Photocatalytic hydrogen production; polymeric materials; donor-acceptor architecture; small molecules; density functional theory; hydrogen binding free energies; exciton binding energies; electrocatalysis; carbon dioxide conversion; formic acid production; Sn-based electrodes; Tin oxides; Ru-complexes; Metal Organic Frameworks; carbon dioxide capture.;

    Abstract : Using sunlight to produce valuable chemicals has been pointed out as an interesting alternative to deal with the well-known environmental problem related to the use of fossil fuels for energy generation. Thus, it is crucial for this field the development of novel photocatalysts that could drive the uphill reactions with high efficiency while presenting low price and toxicity. READ MORE

  5. 3. A Study on the Correlation between Ladle Glaze and Non-Metallic Inclusions in the Ladle Treatment

    Author : Minho Song; Du Sichen; Jerome P. Downey; KTH; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; non-metallic inclusions; ladle treatment; ladle glaze; tracer; tool steel; viscosity; activity; modelling; Al2O3-CaO-MgO-SiO2 system; Materials science; Teknisk materialvetenskap;

    Abstract : In the present thesis, the correlation between ladle glaze and non-metallic inclusions in the ladle treatment was studied. A number of industrial trials with full scale ladle and laboratory works were performed to investigate the inclusions in the ladle treatment. READ MORE

  6. 4. High temperature corrosion in a biomass-fired power boiler : Reducing furnace wall corrosion in a waste wood-fired power plant with advanced steam data

    Author : Yousef Alipour; Pamela Henderson; Peter Szalalos; Christofer Leygraf; Jan Froitzheim; KTH; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; High temperature corrosion; Waterwalls; Power plant corrosion; NOx reducing enviroments; Biomass; Waste wood; Thermodynamic calculation modelling; corrosion-resistance alloy; Furnace wall corrosion; Högtemperaturekorrosion; Eldstadsväggar; kraftverks korrosion; låg Nox mijöer; biomassa; returträ; Termodynamisk modellering; korrosionsbeständighet legering; eldstadskorrosion;

    Abstract : The use of waste (or recycled) wood as a fuel in heat and power stations is becoming more widespread in Sweden (and Europe), because it is CO2 neutral with a lower cost than forest fuel. However, it is a heterogeneous fuel with a high amount of chlorine, alkali and heavy metals which causes more corrosion than fossil fuels or forest fuel. READ MORE

  7. 5. Modelling of Solid Oxide Fuel Cells Applied to the Analysis of Integrated Systems with Gas Turbines

    Author : Azra Selimovic; Kraftverksteknik; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; statistical physics; plasma; plasmas; Gaser; fluiddynamik; Termisk teknik; termodynamik; Gases; fluid dynamics; applied thermodynamics; Thermal engineering; Hybrid Cycles; Gas Turbines; Mathematical Modelling; Electrochemistry; Fuel Cells; Solid Oxide Fuel Cells; thermodynamics; Matematisk och allmän teoretisk fysik; klassisk mekanik; kvantmekanik; relativitet; gravitation; statistisk fysik; Mathematical and general theoretical physics; classical mechanics; quantum mechanics; relativity;

    Abstract : Solid oxide fuel cells (SOFCs), working at high temperatures with an incomplete fuel oxidation process, have become an interesting candidate for combination with conventional power generation technology, such as gas turbines, in order to develop power plants that are both functional and efficient. An absolute condition for successful analysis and optimisation of such plants is the existence of reliable simulation tools. READ MORE