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Keywords = helium–lithium mixtures

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15 pages, 1183 KB  
Review
Probing Nuclear Dipole Moments and Magnetic Shielding Constants through 3-Helium NMR Spectroscopy
by Włodzimierz Makulski
Physchem 2022, 2(2), 116-130; https://doi.org/10.3390/physchem2020009 - 28 Apr 2022
Cited by 4 | Viewed by 3349
Abstract
Multinuclear NMR studies of the gaseous mixtures that involve volatile compounds and 3He atoms are featured in this review. The precise analyses of 3He and other nuclei resonance frequencies show linear dependencies on gas density. Extrapolation of the gas phase results [...] Read more.
Multinuclear NMR studies of the gaseous mixtures that involve volatile compounds and 3He atoms are featured in this review. The precise analyses of 3He and other nuclei resonance frequencies show linear dependencies on gas density. Extrapolation of the gas phase results to the zero-pressure limit gives the ν0(3He) and ν0(nX) resonance frequencies of nuclei in a single 3-helium atom and nuclei in molecules at a given temperature. The NMR frequency comparison method provides an approach for determining different nuclear magnetic moments. The application of quantum chemical shielding calculations, which include a more complete and careful theoretical treatment, allows the shielding of isolated molecules to be achieved with great accuracy and precision. They are used for the evaluation of nuclear moments, without shielding impacts on the bare nuclei, for: 10/11B, 13C, 14N, 17O, 19F, 21Ne, 29Si, 31P, 33S, 35/37Cl, 33S, 83Kr, 129/131Xe, and 183W. On the other hand, new results of nuclear moments were used for the reevaluation of absolute nuclear magnetic shielding in the molecules under study. Additionally, 3He gas in water solutions of lithium and sodium salts was used for measuring 6/7Li and 23Na magnetic moments and reevaluating the shielding parameters of Li+ and Na+ water-solvated cations. In this paper, guest 3He atoms that play a role in probing the electron density in many host macromolecules are also presented. Full article
(This article belongs to the Section Experimental and Computational Spectroscopy)
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22 pages, 6923 KB  
Article
Numerical Simulation of High-Density Ratio Bubble Motion with interIsoFoam
by Simone Siriano, Néstor Balcázar, Alessandro Tassone, Joaquim Rigola and Gianfranco Caruso
Fluids 2022, 7(5), 152; https://doi.org/10.3390/fluids7050152 - 25 Apr 2022
Cited by 11 | Viewed by 5172
Abstract
The breeding blanket is one of the fundamental components of a nuclear fusion reactor and is responsible for the fuel production, generating tritium through neutronic capture reaction between lithium and neutrons. Lithium is a liquid PbLi alloy and the helium formed as reaction [...] Read more.
The breeding blanket is one of the fundamental components of a nuclear fusion reactor and is responsible for the fuel production, generating tritium through neutronic capture reaction between lithium and neutrons. Lithium is a liquid PbLi alloy and the helium formed as reaction by-product can coalesce into bubbles, generating a two-phase mixture with a high-density ratio (ηρO5). These bubbles can accumulate and stagnate within the blanket channels with potentially harmful consequences. In this work, the interIsoFoam solver of OpenFOAM v2012 is used to simulate bubble motion for a two-phase mixture representative of the He-PbLi system to test its potential for future developments in the field of fusion. In a first phase, several traditional benchmarks were carried out, both 2D and 3D, and considering the two variants of the VOF method implemented in the solver, isoAdvector and plicRDF. Subsequently, He bubbles of different diameters rising in liquid PbLi (ηρ=1.2×105) were analysed to investigate different regimes. For a Eötvös number (Eo) greater than 10, it was possible to recreate the axisymmetric, skirted, oscillatory regimes and the peripheral and central breakup regimes. For Eo < 10, non-physical deformations of the interface are observed, probably generated by spurious velocities that have a greater impact on the solution for very small bubbles and rising velocities. Full article
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18 pages, 5810 KB  
Article
Nucleation of Helium in Liquid Lithium at 843 K and High Pressures
by Jordi Martí, Ferran Mazzanti, Grigori E. Astrakharchik, Lluís Batet, Laura Portos-Amill and Borja Pedreño
Materials 2022, 15(8), 2866; https://doi.org/10.3390/ma15082866 - 13 Apr 2022
Cited by 4 | Viewed by 2378
Abstract
Fusion energy stands out as a promising alternative for a future decarbonised energy system. In order to be sustainable, future fusion nuclear reactors will have to produce their own tritium. In the so-called breeding blanket of a reactor, the neutron bombardment of lithium [...] Read more.
Fusion energy stands out as a promising alternative for a future decarbonised energy system. In order to be sustainable, future fusion nuclear reactors will have to produce their own tritium. In the so-called breeding blanket of a reactor, the neutron bombardment of lithium will produce the desired tritium, but also helium, which can trigger nucleation mechanisms owing to the very low solubility of helium in liquid metals. An understanding of the underlying microscopic processes is important for improving the efficiency, sustainability and reliability of the fusion energy conversion process. The spontaneous creation of helium droplets or bubbles in the liquid metal used as breeding material in some designs may be a serious issue for the performance of the breeding blankets. This phenomenon has yet to be fully studied and understood. This work aims to provide some insight on the behaviour of lithium and helium mixtures at experimentally corresponding operating conditions (843 K and pressures between 108 and 1010 Pa). We report a microscopic study of the thermodynamic, structural and dynamical properties of lithium–helium mixtures, as a first step to the simulation of the environment in a nuclear fusion power plant. We introduce a new microscopic model devised to describe the formation of helium droplets in the thermodynamic range considered. Our model predicts the formation of helium droplets at pressures around 109 Pa, with radii between 1 and 2 Å. The diffusion coefficient of lithium (2 Å2/ps) is in excellent agreement with reference experimental data, whereas the diffusion coefficient of helium is in the range of 1 Å2/ps and tends to decrease as pressure increases. Full article
(This article belongs to the Section Materials Simulation and Design)
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