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Bücher Englische Bücher Wissen & Bildung Naturwissenschaft, Medizin, Informatik, Technik Physik & Astronomie Thermodynamik Diffusion in Liquids with Dissolved Gases by Dynamic Light Scattering Experiments, Equilibrium Molecular Dynamics Simulations, and Prediction Models
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Diffusion in Liquids with Dissolved Gases by Dynamic Light Scattering Experiments, Equilibrium Molecular Dynamics Simulations, and Prediction Models
Frances Daggett Lenahan (Broschiert, Englisch)
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Beschreibung
The aim of this thesis is the characterization of diffusive mass transport in liquids with dissolved gas through analysis of structure-property relationships in a variety of fluid systems. For this, systematically selected binary mixtures of a liquid solvent with a dissolved gas close to infinite dilution have been investigated by dynamic light scattering experiments and molecular dynamics… simulations. Within this thesis, details on analyzing the molecular structure of the fluid using simulation results as well as improvements to molecular force fields are given. The evaluation of results is performed over 89 different mixture combinations of a liquid with a dissolved gas, totaling 451 diffusivities. The 17 liquid solvents can be classified as linear, branched, or cyclic alkanes, linear alcohols, an acid, an ester, or an ionic liquid and the 11 different gases vary in terms of molecular weight, size, shape, and polarity. A simple, predictive engineering model is presented, which is empirically developed based on these 451 experimental diffusivity results and requires only the solvent dynamic viscosity and density, the temperature, and the molar mass and core volume of both mixture components. A group contribution method is presented which is used to calculate the molar core volume. The average absolute relative deviation between prediction and experimental results is less than 20%. The model is additionally evaluated against 314 diffusivities from the literature for binary mixtures close to infinite dilution of one component and the average absolute relative deviation is 24%. This positive evaluation includes data for gaseous mixtures, suggesting that the model reflects a realistic behavior, since it is able to perform beyond the scope of its development. Dieses Produkt haben wir gerade leider nicht auf Lager.
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Technische Daten
Erscheinungsdatum
06.05.2024
Sprache
Englisch
EAN
9783961477265
Herausgeber
FAU University Press
Serien- oder Bandtitel
FAU Studies Chemical and Biological Engineering
Sonderedition
Nein
Autor
Frances Daggett Lenahan
Seitenanzahl
88
Einbandart
Broschiert
Bandzählung
3
Schlagwörter
Diffusion, Binary Mixture, Liquids with Dissolved Gas, Prediction, Simulation, Experiments, Thermophysical Properties, Mischungen, Flüssigkeiten mit darin gelösten Gasen, Vorhersagemodell, Experimente, Thermophysikalische Eigenschaften
Thema-Inhalt
THV - Alternative und erneuerbare Energiequellen und -technik
TTBL - Lasertechnik und Holographie
Höhe
240 mm
Breite
17 cm
Hersteller: FAU University Press, university-press@fau.de
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