Henry's constant of helium in liquid lead-lithium alloys

IF 5.3 2区 化学 Q2 CHEMISTRY, PHYSICAL
E. Álvarez-Galera , D. Laria , F. Mazzanti , L. Batet , J. Martí
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Abstract

Information about the solubility of helium in liquid metals is of fundamental relevance in the design of the future nuclear fusion reactors, since the formation of helium bubbles inside the breeding blankets of the reactors constitutes a threat to the durability of the devices and, more importantly, to the efficiency of tritium recovery. In the present work, we report molecular dynamics simulations results of the solubility of helium in a variety of lead-lithium alloys. Simulation experiments have been combined with a classical perturbative procedure able to compute the free energy of insertion of a helium atom inside a liquid metal bath, directly related to the solubility of helium. As the most important case, the eutectic state (16%Li-84%Pb at 508 K) has been explored in full details, predicting a solubility value of (6.1±1.4)×1016Pa1. In addition, several temperatures and atomic fractions of the solvent have been explored. For any temperature, we have found that the solubility of helium in pure lithium is lower than in pure lead. We have also studied the 1000 K isotherm and observed that there is a minimum solubility value for ∼ 80%Li-20%Pb. The observed trends indicate that solubilities rise with increasing temperatures.
液态铅锂合金中氦的亨利常数
关于氦在液态金属中的溶解度的信息对未来核聚变反应堆的设计具有根本性的相关性,因为反应堆增殖毯内氦泡的形成对设备的耐久性构成威胁,更重要的是,对氚回收的效率构成威胁。在本工作中,我们报告了氦在各种铅锂合金中的溶解度的分子动力学模拟结果。模拟实验与经典的微扰程序相结合,可以计算氦原子在液态金属浴中插入的自由能,这与氦的溶解度直接相关。最重要的是,在508 K下对共晶态(16%Li-84%Pb)进行了详细的研究,预测其溶解度值为(6.1±1.4)×10−16Pa−1。此外,还研究了溶剂的几种温度和原子分数。我们发现,在任何温度下,氦在纯锂中的溶解度都比在纯铅中的溶解度低。我们还研究了1000 K等温线,并观察到存在最小溶解度值为~ 80%Li-20%Pb。观测到的趋势表明,溶解度随温度升高而升高。
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来源期刊
Journal of Molecular Liquids
Journal of Molecular Liquids 化学-物理:原子、分子和化学物理
CiteScore
10.30
自引率
16.70%
发文量
2597
审稿时长
78 days
期刊介绍: The journal includes papers in the following areas: – Simple organic liquids and mixtures – Ionic liquids – Surfactant solutions (including micelles and vesicles) and liquid interfaces – Colloidal solutions and nanoparticles – Thermotropic and lyotropic liquid crystals – Ferrofluids – Water, aqueous solutions and other hydrogen-bonded liquids – Lubricants, polymer solutions and melts – Molten metals and salts – Phase transitions and critical phenomena in liquids and confined fluids – Self assembly in complex liquids.– Biomolecules in solution The emphasis is on the molecular (or microscopic) understanding of particular liquids or liquid systems, especially concerning structure, dynamics and intermolecular forces. The experimental techniques used may include: – Conventional spectroscopy (mid-IR and far-IR, Raman, NMR, etc.) – Non-linear optics and time resolved spectroscopy (psec, fsec, asec, ISRS, etc.) – Light scattering (Rayleigh, Brillouin, PCS, etc.) – Dielectric relaxation – X-ray and neutron scattering and diffraction. Experimental studies, computer simulations (MD or MC) and analytical theory will be considered for publication; papers just reporting experimental results that do not contribute to the understanding of the fundamentals of molecular and ionic liquids will not be accepted. Only papers of a non-routine nature and advancing the field will be considered for publication.
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