Salting constant measurements have been made on 1-naphthol, 2-naphthol, and 1-NO-2-naphthol using a distribution method at 298 K. In general, the order of the salting effect is similar to that for other acidic nonelectrolytes. However, a net salting-in is observed in the pair 1-NO-2-naphthol – NaF, and such an effect is interpreted by postulating hydrogen bonding. A comparison of results with those found for benzene, naphthalene, phenol, etc …, reveals that salt effects for organic nonelectrolytes depend upon the solute size for a given salt.Experimental ks are compared with those calculated using various salting theories. The agreement is not quantitative.
Zirconium alloys are used as nuclear fuel cladding material due to their mechanical and corrosion resistant properties together with their favorable cross-section for neutron scattering. At running conditions, however, there will be an increase of hydrogen in the vicinity of the cladding surface at the water side of the fuel. The hydrogen will diffuse into the cladding material and at certain conditions, such as lower temperatures and external load, hydrides will precipitate out in the material and cause well known embrittlement, blistering and other unwanted effects. Using phase-field methods it is now possible to model precipitation build-up in metals, for example as a function of hydrogen concentration, temperature and external load, but the technique relies on input of parameters, such as the formation energy of the hydrides and matrix. To that end, we have computed, using the density functional theory (DFT) code GPAW, the latent heat of fusion as well as solved the crystal structure for three zirconium hydride polymorphs: δ-ZrH 1.6 , γ-ZrH, and -ZrH 2 .
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