Sökning: "Thermodynamic modeling"

Visar resultat 11 - 15 av 126 avhandlingar innehållade orden Thermodynamic modeling.

1. 11. Densities and viscosities of slags : modeling and experimental investigations

   Författare :Mikael Persson; Seshadri Seetharaman; Rob Brooks; KTH; []
   Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; density; nolar volume; thermodynamics; enthalpies; model; slags; oxide melts; viscosity; mould flux; continuous casting; Metallurgical process engineering; Metallurgisk processteknik;

   Sammanfattning : The present dissertation describes part of the efforts directed towards the development of computational tools to support process modeling. This work is also a further development of the Thermoslag software developed in the Division of Materials Process Science, KTH. LÄS MER

3. 12. Modeling and Performance of Gas Turbine Cycles with Various Means of Blade Cooling

   Författare :Kristin Jordal; Kraftverksteknik; []
   Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; fluid dynamics; Gases; termodynamik; Termisk teknik; applied thermodynamics; Thermal engineering; blade cost; HAT cycle; humid air; model validation; blade cooling modeling; thermodynamic simulations; blade cooling; Gas turbine; plasmas; Gaser; fluiddynamik; plasma; Mechanical engineering; hydraulics; vacuum technology; vibration and acoustic engineering; Maskinteknik; hydraulik; vakuumteknik; vibrationer; akustik;

   Sammanfattning : A method for simulating the cooled gas turbine is demonstrated. Based on equations and other knowledge found in the literature, a first-law thermodynamic, non-dimensional model is established and implemented in the equation-solving, programmable software IPSEpro. LÄS MER

4. 13. Disordered Icosahedral Boron-Rich Solids : A Theoretical Study of Thermodynamic Stability and Properties

   Författare :Annop Ektarawong; Björn Alling; Michael Widom; Linköpings universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Icosahedral boron-rich solids; Boron carbide; Configurational disorder; First-principles calculations; Thermodynamic stability; Superatom-special quasirandom structure;

   Sammanfattning : This thesis is a theoretical study of configurational disorder in icosahedral boron-rich solids, in particular boron carbide, including also the development of a methodological framework for treating configurational disorder in such materials, namely superatom-special quasirandom structure (SA-SQS). In terms of its practical implementations, the SA-SQS method is demonstrated to be capable of efficiently modeling configurational disorder in icosahedral boron-rich solids, whiles the thermodynamic stability as well as the properties of the configurationally disordered icosahedral boron-rich solids, modeled from the SA-SQS method, can be directly investigated, using the density functional theory (DFT). LÄS MER

5. 14. Theoretical modeling of molar volume and thermal expansion

   Författare :Xiao-Gang Lu; Bo Sunsman; Michel Jacobs; KTH; []
   Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Materials science; first-principles calculations; ab initio; Calphad; Debye-Grüneisen model; thermodynamic properties; elastic modulus; volume; thermal expansivity; pressure; Thermo-Calc; VASP; element; carbide; nitride; Materialvetenskap; Materials science; Teknisk materialvetenskap;

   Sammanfattning : Combination of the Calphad method and theoretical calculations provides new possibilities for the study of materials science. This work is a part of the efforts within the CCT project (Centre of Computational Thermodynamics) to combine these methods to facilitate modeling and to extend the thermodynamic databases with critically assessed volume data. LÄS MER

7. 15. Physical Modeling of Protein Folding

   Författare :Stefan Wallin; Beräkningsbiologi och biologisk fysik - Genomgår omorganisation; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; relativity; quantum mechanics; classical mechanics; three-helix bundle; similarity measure; Mathematical and general theoretical physics; protein dynamics; protein folding; two-state; Matematisk och allmän teoretisk fysik; thermodynamics; statistical physics; gravitation; klassisk mekanik; kvantmekanik; relativitet; statistisk fysik; termodynamik; Fysicumarkivet A:2003:Wallin;

   Sammanfattning : Sequence-based models for protein folding are developed and tested on peptides with both alpha- and beta-structure, and on small three-helix-bundle proteins. The interaction potentials of the models are minimalistic and based mainly on hydrogen bonding and effective hydrophobicity forces. LÄS MER