Molecular Dynamics Simulation of YCl_3 Melt

The molecular dynamics method has been used to study the YCl3 molten salt. The results of the molecular dynamics simulation agree with those of the neutron diffraction experiment. It is found that there are like-octahedral structure of YCl or its fragment. The diffusion coefficients of Y3+ and Cl- in the YCl3 melt are also calculated.

293K时YCl_3在混合溶剂(DMF-H_2O)中无限稀释摩尔电导率的测定

在293 K时测定了 YCl3 在混合溶剂(DMF H2 O)中的电导率,根据公式求得 YCl3 的摩尔电导率λ值,按Kohlraush经验公式作图,使用Origin软件进行线性拟合外推求得YCl3在混合溶剂(DMF H2O)中的无限稀释摩尔电导率λ0=233 74 s·cm2·mol-1。

298K时稀土氯化盐YCl_3在混合溶剂(DMF-H_2O)中电导的研究

应用电导率仪在298K时测定了稀土氯化盐YCl3在混合溶剂(DMF-H2O)中的电导率,利用公式λ=(k液-k剂)×10-3/c计算了YCl3的摩尔电导率,应用Kohlrausch经验规则:λ=λ(1-βc),使用Origin软件进行线性拟合,作图外推求得298K时YCl3在混合溶剂(DMF-H2O)中的无限稀释摩尔电导率λ0=267.78(S·cm2·mol-1),并讨论了298K时浓度对YCl3在混合溶剂(DMF-H2O)中电导率和摩尔电导率的影响.

BaTiO_3对SnO_2基CO气敏元件性能影响

通过掺入BaTiO3来调整SnO2基CO气敏元件的温度系数,进而改善气敏元件的长期稳定性。元件的各种性能与BaTiO3的性质和含量密切相关。当掺入质量分数为2%的含YCl3摩尔分数为0.4%的BaTiO3时,元件的烧结温度升高,抗酒精的干扰能力增强,元件的长期稳定性得到了改善。

钼酸盐除硅技术在超高纯氧化钇生产工艺中的应用

介绍了采用钼酸盐 /工业混合醇萃取法从超高纯YCl3 溶液中除去微量硅的方法 ,并对影响萃取除硅效果的主要工艺因素进行了讨论。

强碱性阴离子交换树脂用于^(90)YCl_(3)溶液金属杂质的纯化

从^(90)Sr/^(90)Y放射性衰变平衡体系中分离获得的^(90)Y溶液具有无载体、金属杂质含量高等特点,需要进一步纯化才能应用于^(90)Y放射性药物的制备。本工作研究了AE4强碱性阴离子交换树脂在盐酸溶液中对Y^(3+)、Fe^(3+)、Al_(3)+、Zn^(2+)、Mg^(2+)的吸附性能。结果表明:AE4树脂在盐酸溶液中不吸附Al_(3)+、Zn^(2+)、Mg^(2+);在3 mol/L以上的盐酸溶液中对Fe^(3+)吸附性能较好;在7 mol/L以上的盐酸溶液中对Y^(3+)的吸附性能较好。含有Y^(3+)、Al^(3+)、Zn^(2+)、Mg^(2+)等元素的混合溶液在3 mol/L HCl溶液通过AE4树脂柱后,Fe^(3+)基本被全部吸附在树脂柱上;吸附余液调节盐酸浓度至7 mol/L,通过另一根AE4树脂柱,Y^(3+)基本被吸附在树脂柱上。最后用0.01 mol/L HCl洗脱吸附在树脂柱上的Y^(3+),得到纯化后的YCl_(3)溶液。稳定核素和^(90)Y示踪的研究结果表明,采用AE4树脂纯化^(90)YCl_(3)溶液的工艺可行,AE4树脂可用于^(90)YCl_(3)溶液中Fe、Al、Zn、Mg等主要杂质金属元素的去除。

Raman spectroscopy and quantum chemical calculation on YCl_(3)-KCl molten salt system

The knowledge on the ionic structure of YCl_(3)-KCl molten system is of guiding significance for the practical production of yttrium metals and yttrium alloys via molten salt electrolysis using this system as electrolyte.In this paper,the theoretical Raman spectra of the ionic groups which may exist in YCl_(3)-KCl molten system are simulated by quantum chemical calculation using Gaussian09 and Gauss View 5.0 programs based on density functional theory(DFT).Then the ionic structures of 20 mol%-60 mol%YCl_(3)-KCl molten salt systems are studied by comparing the Raman shift values of the bands in the theoretical Raman spectra of different ionic groups with the experimental spectra of this system.YCl_(6)^(3-),Y_(2)Cl_(7)^(-),Y_(2)Cl_(8)^(2-)and Y_(2)Cl_(9)^(3-)are thought to exist in the molten system.With the increase of temperature,the relative content of YCl_(6)^(3-)ionic groups increases while those of Y_(2)Cl_(7)^(-),Y_(2)Cl_(8)^(2-)and Y_(2)Cl_(9)^(3-)ionic groups decrease.Moreover,the"lifetime"of all ionic groups decreases within the temperature range of 692-730℃.Meanwhile,the relative contents of Y_(2)Cl_(7)^(-),Y_(2)Cl_(8)^(2-)and Y_(2)Cl_(9)^(3-)increase with the increase of YCl_(3)content,while that of YCl_(6)^(3-)decreases.The wave function analysis of the four ionic groups(YCl_(6)^(3-),Y_(2)Cl_(7)^(-),Y_(2)Cl_(8)^(2-),and Y_(2)Cl_(9)^(3-))is carried out by Multiwfn program.The net charge in each group,the direction of electron migration during the formation of each group,the sites where electrophilic and nucleophilic reactions are most likely to occur in each ionic group,and the order of bond breaking during chemical reactions for the four groups are obtained.