Publication: Simulating Hydrothermal Synthesis of Ionic Nanoparticles

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Title	Simulating Hydrothermal Synthesis of Ionic Nanoparticles
Authors/Editors*	Svishchev I.M., Nahtigal I.
Where published*	Water, Steam and Aqueous Solutions. Advances in Science and Technology for Power Generation
How published*	Proceedings
Year*	2008
Volume
Number
Pages	1-6
Publisher	VDI-GET (Berlin)
Keywords
Link
Abstract	The formation of solid salt nano-particles in supercritical water is studied by molecular dynamics (MD) simulation method. Aqueous solutions of sodium and strontium chlorides are investigated in the temperature and density range of 673 to 1073 K and 0.17 to 0.34 g/cm3, respectively. Particle size distributions, critical nuclei and particle life-times are determined. We find that particles of approximately 15 to 30 ions appear critical for the thermodynamic states examined. Nucleation rates appear to be on the order of 1028 cm-3s-1. It is found that postcritical nuclei have amorphous structure, which may explain the variability of observed microcrystalline forms in hydrothermal processing of materials. Our computer simulations show the confinement of water molecules in the ionic interior of larger particles. A brief overview of NaCl nanoparticles seen in Ar quenched solutions is also made.