Accelerated estimation of corrosion rate in supercritical and ultra-supercritical water
نویسندگان
چکیده
منابع مشابه
Supercritical Water Radiolysis Chemistry Supercritical Water Corrosion
The direct measurement of the chemistry in reactor cores is extremely difficult. The extreme conditions of high temperature, pressure, and radiation fields, are not compatible with normal chemical instrumentation. There are also problems of access to fuel channels in the reactor core. For these reasons, all reaction vendors and many operators have extensively used theoretical calculations and c...
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Molecular dynamics (MD) calculations have been performed to determine equilibrium structure and properties of systems modeling supercritical (SC) water and SC aqueous solutions at two states near the critical point using the simple point charge (SPC) potential model of Berendsen et al. for water. Both thermodynamic and dielectric properties from the simulations for pure water are accurate in co...
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Cochran, H.D., Cummings, P.T. and Karaborni, S., 1992. Solvation in supercritical water. Fluid Phase Equilibria, 71: 1-16. The aim of this work is to determine the solvation structure in supercritical water compared with that in ambient water and in simple supercritical solvents. Molecular dynamics studies have been undertaken of systems that model ionic sodium and chloride, atomic argon, and m...
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An inelastic neutron scattering experiment has been performed on supercritical water at high momentum transfer, up to 90 Å, in order to study single proton dynamics. The value of the proton mean kinetic energy has been extracted in the framework of the impulse approximation. The anisotropy of the proton momentum distribution inside a single water molecule is discussed. The extracted experimenta...
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We study the hydrogen bonding structure of water models at supercritical conditions by molecular dynamics to directly compare with recent microstructural data obtained by neutron diffraction with isotopic substitution (NDIS) experiments. We also study the angular dependence of the hydrogenoxygen pair distribution function to gain insight into the hydrogen bonding mechanism in the molecular mode...
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ژورنال
عنوان ژورنال: npj Materials Degradation
سال: 2017
ISSN: 2397-2106
DOI: 10.1038/s41529-017-0006-1