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Molecular dynamic simulation of solute concentration in front of a solidifict frontLiao, Dun-cai 18 July 2006 (has links)
We use molecular dynamics to simulate the rapid directional solidification of binary alloy solid-liquid interface in the non-equilibrium state. In the pulling fixed velocities, we report the temperature, density, and diffusion coefficient of the interface.
In cooling fast, controlling the velocities of solidification for the important parameter of this text¡Ait produces different changes that velocity value will be affected by atom potential energy and system temperature and density¡Athough the system is pulling a fixed velocities, that the speed of every atom of the system is all not constant .The velocity will be changed into the driving force that the solute will be separated and trapped.
In the segregation regime, we recover the exponential form of the concentration profile within the liquid phase. Solute trapping is shown to settle in progressively as V is increased or reduction and our results are in good agreement with the theoretical predictions of Aziz.
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The directional solidification of salt water /Wettlaufer, John S. January 1991 (has links)
Thesis (Ph. D.)--University of Washington, 1991. / Vita. Includes bibliographical references (leaves [117]-123).
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Solid-liquid equilibria in solution of normal alkanes with significant chain length differencesRoberts, Kenneth 12 1900 (has links)
No description available.
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Aspects of the calcium carbonate-water interfaceBrown, Christopher A. January 1992 (has links)
The channel flow method has established the net dissolution kinetics of calcite single crystals at high pH (7.7-9.7) and varying bulk Ca<sup>2+</sup> concentrations (0-10 mM), using wide ranges of solution flow rates (10<sup>-3</sup>-0.3 cm<sup>3</sup> s<sup>-1</sup>). Literature rate equations were in poor agreement with experiment. Modelling with the following mechanism, where Ca<sup>2+</sup> and CO<sub>3</sub><sup>2-</sup> undergo Langmuirian adsorption: Ca<sup>2+</sup><sub>(aq)</sub> ⇄ Ca<sup>2+</sup><sub>(ads)</sub> CO<sup>2-</sup></sub>3 (aq)</sub> ⇄ CO<sup>2-</sup><sub>3 (ads)</sub> Ca(sup>2+</sup></sub>(ads)</sub> + CO<sup>2-</sup><sub>3 (ads)</sub> ⇄ CaCO<sub>3 (ads)</sub> CaCo<sub>3 (ads)</sub> → CaCo<sub>3 (lattice)</sub> and the consequent rate law J<sub>net</sub>/mol cm<sup>-2</sub>s<sup>-1</sup> = k<sub>p</sub>K<sub>Ca</sub>K<sub>CO<sub>3</sub></sub> {K<sub>sp</sub> - [Ca<sup>2+</sup>]<sub>o</sub>[CO<sup>2-</sup><sub>3</sub>]<sub>o</sub> (1 + K<sub>Ca</sub>[Ca<sup>2+</sup>]<sub>o</sub>)(1 + K<sub>CO<sub>3</sub>[CO<sup>2-</sup><sub>3</sub>]<sub>o</sub>) gave excellent agreement with experiment under all conditions studied. This mechanism is shown to explain all literature streaming potential, electrophoresis and kinetic salt effect data. Dissolution of calcite under the above conditions was strongly inhibited by Mg<sup>2+</sup> and fully deprotonated forms of succinic acid, 2-sulphobutanedioic acid, phthalic acid and maleic acid. Mechanisms were established; for the maleate dianion, the inhibition was due to the blocking of the dissolution sites at which CaCO<sub>3</sub> units are incorporated into the crystal lattice. For the other ions, inhibition arose from competitive Langmuirian adsorption either between CO<sub>3</sub><sup>2-<sup> and the anions, or between Ca<sup>2+</sup> and Mg<sup>2+</sup>. A new method to quantify the inhibited dissolution of particulate CaCO<sub>3</sub> (=10 μm) via enhanced mass transport of solution to the rotating disc electrode, due to the rotation of the particles in the diffusion layer, has been established. Good agreement was found with that measured independently using the channel flow cell. A.c. impedance spectroscopy has been used to characterise scaled (CaCO<sub>3</sub>) steel tubes. Results provide scope for (i) monitoring scale growth, and (ii) use in safety control devices for alerting to the scaling of pipe-work.
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Investigation of hydrodynamic boundary conditions at liquid-solid interfaces /Clasohm, Jarred N. Unknown Date (has links)
Thesis (PhDApSc(MineralsandMaterials))--University of South Australia, 2007.
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Structure and physical properties of surfactant and mixed surfactant films at the solid-liquid interfaceBlom, Annabelle. January 2005 (has links)
Thesis (Ph. D.)--University of Sydney, 2005. / Title from title screen (viewed 22 May 2008). Submitted in fulfilment of the requirements for the degree of Doctor of Philosophy to the School of Chemistry, Faculty of Science. Includes bibliographical references. Also available in print form.
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Validation of the no slip boundary condition at solid-liquid interfaces /Honig, Christopher David Frederick. January 2008 (has links)
Thesis (Ph.D.)--University of Melbourne, Dept. of Chemical and Biomolecular Engineering, 2009. / Typescript. Includes bibliographical references (p. 129-141)
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In-situ spectroscopic investigations of molecular structure at aqueous/solid and aqueous/monolayer/solid interfaces /Becfraft, Kevin Allan, January 2004 (has links)
Thesis (Ph. D.)--University of Oregon, 2004. / Typescript. Includes vita and abstract. Includes bibliographical references (leaves 163-173). Also available for download via the World Wide Web; free to University of Oregon users.
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Metal-surface reactions in mixed aqueous organic solventsSrour, Rafif K. January 2004 (has links)
Thesis (Ph. D.)--West Virginia University, 2004. / Title from document title page. Document formatted into pages; contains xix, 140 p. : ill. Includes abstract. Includes bibliographical references (p. 133-140).
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Adsorption at the calcite-liquid interfaceStocker, Isabella Natalie January 2013 (has links)
No description available.
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