Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 5 of 5 for “"Computational thermodynamics"”.
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Síntese e caracterização de ligas nanocristalinas à base de cobre e zircônio com elevada capacidade de formação de estado vítreo
… were selected according to literature review and computational thermodynamics simulations. Arc melting and suction casting (solidification out of equilibrium) processes were performed in order to produce nanocrystalline materials. X-ray and scanning electron microscopy results showed that samples …
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Calculating thermochemical equilibrium for multiphysics simulations of nuclear materials : development of yellowjacket gibbs energy minimiser
… changes with time. For such complex systems, computational thermodynamics plays a valuable role in predicting many phenomena and is often necessary for understanding and informing others. For this reason, there has been an increasing interest in incorporating equilibrium thermodynamics …
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Development of multi-physics capabilities in coupling computational fluid dynamics and thermodynamics for molten salt reactor applications
… objective of this work was to develop a novel computational toolset tailored for multi-physics simulations of MSR studies that could fill the aforementioned knowledge gaps. This toolset studied the intricate dependence between thermal-hydraulics and salt chemistry by coupling the computational …
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CALPHAD modeling of phase diagram boundaries for binary 2-amino-2-methyl-1,3-propanediol (AMPL) and tris(hydroxymethyl) aminomethane (TRIS) system
The phase diagram assessment of binary AMPL-TRIS system was calculated using the CALPHAD approach. Thermo-Calc, TCC software was used to fit the experimental phase diagram data by simultaneous optimization of thermodynamic properties of pure components and phase equilibria data available in the …
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Predicting Phase Equilibria Using COSMO-Based Thermodynamic Models and the VT-2004 Sigma-Profile
Solvation-thermodynamics models based on computational quantum mechanics, such as the conductor-like screening model (COSMO), provide a good alternative to traditional group-contribution methods for predicting thermodynamic phase behavior. Two COSMO-based thermodynamic models are COSMO-RS (real …