منابع مشابه
Proton dynamics in supercritical water
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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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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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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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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Molecular behaviour of liquid water under proton irradiation is of great importance to a number of technological and medical applications. The highly energetic proton generates a time-varying field that is highly localized and heterogeneous at the molecular scale, and massive electronic excitations are produced as a result of the field-matter interaction. Using first-principles quantum dynamics...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2001
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.1420751