Weak acid leaching of uranium ore from a high carbonate uranium deposit

Journal of Radioanalytical and Nuclear Chemistry - Mineralogical study showed that the Yuejin uranium ore is from a low grade, high carbonate and high pyrite sandstone type uranium deposit. Uranium...     

基于XML的故障诊断虚拟训练描述模型研究

随着科学技术的迅猛发展,传统故障诊断训练存在的问题日益突出,越来越难以满足维修人员的故障诊断训练需求。提出了通过虚拟方式进行辅助训练,来提高维修人员的故障诊断能力和掌握故障诊断相关知识,满足故障诊断训练需求。为实现故障诊断虚拟训练,分析了故障诊断虚拟训练模型的描述要素和描述语言。运用诊断树分析方法,基于XML建立了故障诊断虚拟训练描述模型,为实现故障诊断虚拟训练提供模型支撑。最后,基于此模型对液压千斤顶回收不到位的故障进行了描述,验证了描述模型的正确性与实用性。     

First-principles study of structure and nonlinear optical properties of CdHg(SCN)4 crystal

The geometric structure,electronic structure,and optical properties of CdHg(SCN)4 crystal are calculated by using the density functional perturbation theory and Green function screening Coulomb interaction approximation.The band gap of CdHg(SCN)4 crystal is calculated to be 3.198 eV,which is in good agreement with the experimental value 3.265 eV.The calculated second-order nonlinear optical coefficients are d_(14) = 1.2906 pm/V and d_(15) = 5.0928 pm/V,which are in agreement with the experimental results(d_(14)=(1.4 ±0.6) pm/V and d_(15)=(6.0 ±0.9) pm/V).Moreover,it is found that the contribution to the valence band mainly comes from Cd-4d,Hg-5d states,and the contributions to the valence band top and the conduction band bottom predominantly come from C-2p,N-2p,and S-3p states.The second-order nonlinear optical effect of CdHg(SCN)_4 crystal results mainly from the internal electronic transition of(SCN)~-.     

A statistical model of microcracking of concrete under uniaxial compression

At increasing external load, numerous microcracks propagate in discrete and successive stages within a body of concrete material according to the hierarchy of their tensile fracture strengths. Each microcrack propagation is conditional upon the statistical encounter of its associated fracture criterion. This paper shows the development of a statistical model for the progressive microcrack growth process within a body of concrete material at monotonic uniaxial loading in compression to ultimate failure. This model is formulated by using the Weibull's statistical theory of the strength of materials. The body of heterogeneous concrete material is simulated as a continuum comprising a large population of microscopic “weakest-link” isoenergy elements, each of which contains a unit-volume of representative micro-structural material which is linearly elastic, homogeneous and isotropic. The statistical modelling is derived from the stochastic evaluation of the tensile micro-fracture probabilities of these isoenergy elements at increasing global uniaxial compressive strains.     

Fast reversible electron transfer for photosynthetic reaction center from wild type Rhodobacter sphaeroides re-constituted in polycation sandwiched monolayer film

Direct reversible electron transfer for photosynthetic reaction center from wild type Rhodobacter sphaeroides re-constituted in polycation sandwiched monolayer film was observed in this work. The redox potential E0' = 0.46 V vs. NHE for first primary donor redox couple P/P+ was accurately measured from reversible CV or SWV peaks, which were quite close to those obtained from optic redox titration method. Reaction center (RC) in film was found re-constituted in such an ordered way that the orientation of RC favored the electron transfer in film. Thus, the protein electroactivity seems to be turned on in this artificial biomimic thin film. Furthermore, RC in the film features a photo-induced redox-peak fluctuation, suggesting an intact and functional state for RC in such film. Redox peaks were also found dependent of pH, implying a proton-coupled electron transfer occurring in film. Charge recombination was observed accompanied with change of electrochemical driving force. Electrochemical model assuming several classes of electroactive sites in the films on the electrode with a dispersion of standard potentials successfully fits SWV experimental data at different pulse height and frequency.     

Structural,electrical and optical properties of SnO2 films deposited on Y-stabilized ZrO2 (1 0 0) substrates by MOCVD

SnO₂ films have been deposited on Y-stabilized ZrO₂ (YSZ) (1 0 0) substrates at different substrate temperatures (500–800 °C) by metalorganic chemical vapor deposition (MOCVD). Structural, electrical and optical properties of the films have been investigated. The films deposited at 500 and 600 °C are epitaxial SnO₂ films with orthorhombic columbite structure, and the HRTEM analysis shows a clear epitaxial relationship of columbite SnO₂(1 0 0)||YSZ(1 0 0). The films deposited at 700 and 800 °C have mixed-phase structures of rutile and columbite SnO₂. The carrier concentration of the films is in the range from 1.15×10¹⁹ to 2.68×10¹⁹ cm⁻³, and the resistivity is from 2.48×10⁻² to 1.16×10⁻² Ω cm. The absolute average transmittance of the films in the visible range exceeds 90%. The band gap of the obtained SnO₂ films is about 3.75–3.87 eV.     

Four divalent metal thiocyanate coordination compounds containing a rigid functional pyridine ligand

A series of new coordination compounds Zn(SCN)₂L₂ (1), Co(SCN)₂L₂ (2), [Cd(SCN)₂L₂·2L]_n (3) and [CdHg(SCN)₄L₂]_n (4) have been prepared by self-assembly of a rigid functional pyridine ligand, trans-4-[4′-(N-methyl-N-hydroxyethyl)amimo]styryl pyridine (abbreviated as L) with M(SCN)_x (M: Zn, Co, Cd, CdHg; x: 2, 4). The crystal structures indicate that 1 and 2 are mononuclear compounds while 3 and 4 are coordination polymers. O–H?N, C–H?O, O–H?π and C–H?π hydrogen bonds play significant roles in the final crystal structures. The solid-state luminescence properties have been measured. The results indicate that the photoluminescence spectra of all the compounds can be changed by the frameworks and introducing of different metal ions.     

水合邻苯二甲酸钠的合成、结构表征及热化学性质

选择邻苯二甲酸和氢氧化钠作为反应物,利用液相合成方法合成了水合邻苯二甲酸钠.利用X射线粉末衍射、化学与元素分析等方法表征了它的组成和结构.利用精密自动绝热热量计测定了该化合物在78～366K温区的摩尔热容.将该温区的摩尔热容实验值用最小二乘法拟合得到摩尔热容(Cp,m)对温度(T)的多项式方程,用此方程进行数值积分得到此温度区间内每隔5K的舒平热容值和相对于298.15K时的热力学函数值.另外,依据Hess定律,通过设计合理的热化学循环,利用等温环境溶解-反应热量计分别测量了固相量热反应的反应物和产物在所选溶剂中的溶解焓,从而确定反应的反应焓为:ΔrHm=29.073±1.05kJ·mol-1.最后,利用反应的反应焓和其它反应物和产物已知的热力学数据计算出水合邻苯二甲酸钠的标准摩尔生成焓为:-1493.637±1.11kJ·mol-1.     

A practical strategy for the characterization of coumarins in Radix Glehniae by liquid chromatography coupled with triple quadrupole-linear ion trap mass spectrometry

The aim of the present study was to develop a practical method for the characterization of coumarins in Radix Glehniae by liquid chromatography–mass spectrometry (LC–MS). First, 10 coumarin standards (including two pairs of isomers) were studied, and mass spectrometry fragmentation patterns and elution time rules for the coumarins were found. Then, an extract of Radix Glehniae was analyzed by the combination of two scan modes, i.e., multiple ion monitoring-information-dependent acquisition-enhanced product ion mode (MIM-IDA-EPI) and precursor scan information-dependent acquisition-enhanced product ion mode (PREC-IDA-EPI) on a hybrid triple quadrupole-linear ion trap mass spectrometer. A total of 41 coumarins were identified on the basis of their mass spectrometry fragmentation patterns. This is the first time that these two scan modes have been combined to characterize chemical constituents in traditional Chinese medicine. This new method allowed the identification of coumarins in Radix Glehniae in trace amounts. The methodology proposed in this study could be valuable for the structural characterization of coumarins from complex natural and synthetic sources.