NH_3-OH体系中共沉淀法同时回收钕铁硼废料中Nd-Pr-Co-Fe

为了避免回收单一钕铁硼废料中有价元素带来的操作复杂和资源浪费等问题,本研究采用共沉淀法共沉淀出钕铁硼废料中的有价元素Me(Nd,Pr,Co,Fe),制备可用于生产再生钕铁硼的原料;根据质量守恒和同时平衡原理,采用MATLAB软件建立Me(Nd,Pr,Co,Fe)-OH--NH3热力学模型,绘制lg[Me]-p H曲线模拟共沉淀工艺,并根据模拟结果确立了共沉淀工艺;模拟和实验的结果表明:根据lg[Me]-p H模拟结果可以确立一步共沉淀法的p H:6~10,Fe3+比Fe2+更易于沉淀完全;在上述条件下获得的共沉淀粉末主相均为Nd,Pr,Co,Fe的化合物,且有价元素的百分比含量均大于99.4%;其中,当p H值在8左右时回收率最高,在该条件下金属元素Me(Nd,Pr,Co,Fe)的沉淀效率分别为:98.7%,99.9%,93.6%,99.9%。该结果也表明共沉淀法工艺不仅高效,而且所制备的共沉淀粉末可以满足制备二次钕铁硼的需要。     

强碱三元复合驱色谱分离及其影响因素——以大庆油区喇嘛甸油田为例

三元复合驱油体系中驱油剂的协同效应,会使油水间的界面张力大幅度下降,原油采收率大幅度提高;但三元复合驱油体系的色谱分离现象也会破坏其协同效应和完整性,揭示色谱分离现象及其影响因素对于改善三元复合驱油效果具有十分重要意义。以油藏工程和分析化学理论为指导,以化学分析和物理模拟为技术途径,并以大庆喇嘛甸油田典型区块地质特征和流体性质为研究对象,开展强碱三元复合驱色谱分离现象及其影响因素研究。结果表明,采用前置高浓度聚合物段塞后,可以有效扩大波及体积,但表面活性剂与碱和聚合物之间无因次等浓距增加,色谱分离现象加剧。大庆油区喇嘛甸油田不同区块油水性质差异对色谱分离现象存在影响,原因在于部分重烷基苯石油磺酸进入油相,影响水相中浓度检测值。强碱三元复合驱油体系中表面活性剂与碱和聚合物之间色谱分离程度比较严重,碱与聚合物之间较弱。     

基于查询的新闻多文档自动摘要技术研究

针对新闻文本领域,该文提出一种基于查询的自动文本摘要技术,更加有针对性地满足用户信息需求。根据句子的TF-IDF、与查询句的相似度等要素,计算句子权重,并根据句子指示的时间给定不同的时序权重系数,使得最近发生的新闻内容具有更高的权重,最后使用最大边界相关的方法选择摘要句。通过与基于TF-IDF、Text-Rank、LDA等六种方法的对比,该摘要方法ROUGE评测指标上优于其他方法。从结合评测结果及摘要示例可以看出,该文提出的方法可以有效地从新闻文档集中摘取核心信息,满足用户查询内容的信息需求。     

Evolution of Local Structural Ordering and Chemical Distribution upon Delithiation of a Rock Salt–Structured Li1.3Ta0.3Mn0.4O2 Cathode

Lithium‐rich disordered rock‐salt oxides have attracted great interest owing to their promising performance as Li‐ion battery cathodes. While experimental and theoretical efforts are critical in advancing this class of materials, a fundamental understanding of key property changes upon Li extraction is largely missing. In the present study, single‐crystal synthesis of a new disordered rock‐salt cathode material, Li_1.3Ta_0.3Mn_0.4O₂ (LTMO), and its use as a model compound to investigate Li concentration–driven evolution of local cationic ordering, charge compensation, and chemical distribution are reported. Through the combined use of 2D and 3D X‐ray nanotomography, it is shown that Li removal accompanied by oxygen oxidation is correlated with the development of morphological defects such as particle cracking. Chemical heterogeneity, quantified by subparticle level distribution of Mn valence state, is minimal during Mn redox, which drastically increases upon the formation of cracks during oxygen redox. Density functional theory and bond valence sum mismatch calculations reveal the presence of local short‐range ordering in the pristine oxide, which gradually disappears along with the extraction of Li. The study suggests that with cycling the transformation into true cation–disordered state can be expected, which likely impacts the voltage profile and obtainable energy density of the oxide cathodes.     

Supramolecular Glyco‐nanoparticles Toward Immunological Applications

Glyco‐mimicking nanoparticles (glyco‐NPs) with Förster resonance energy transfer (FRET) donor and acceptor groups formed via dynamic covalent bond of benzoboroxole and sugar from two complementary polymers are prepared. The glyco‐NPs are proved to be quite stable under physiological conditions but sensitive to pH. So the glyco‐NPs can be internalized by dendritic cells with integrity and nontoxicity and then dissociate within the acidic organelles. This particle dissociation is directly observed and visualized in vitro, for the first time via the FRET measurements and fluorescent microscopy. This feature makes controlled release of drug or protein by glyco‐NPs possible, i.e., when model antigen Ovalbumin is loaded in the glyco‐NPs, the released Ovalbumin in dendritic cells stimulates T cells more efficiently than the free Ovalbumin itself as a result of the enhanced antigen processing and presentation. Thus, the results enlighten a bright future of the glyco‐NPs in immunotherapy.     

Eu@C86 isomers: Calculated relative populations

Abstract

Relative populations of four energy-lowest IPR (isolated-pentagon-rule) isomers of Eu@C₈₆ are computed using the Gibbs energy based on characteristics from density functional theory calculations (M06-2X/3-21G?～?SDD entropy term, M06-2X/6-31G*～SDD or B2PLYP(D)/6-31G*～SDD energetics). The calculations confirm that the recently isolated Eu@C₁(7)-C₈₆ species is a major isomer in a relevant temperature region. Relationship to the empty C₈₆ cages is discussed, too.