Inversion,chemical complexity,and interstitial transport in spinels

Spinels with the generic chemical formula AB₂O₄ have potential applications in nuclear energy and batteries. In both cases, their functionality is related to mass transport through the crystal. Here, using long-time atomistic simulations, we examine the impact of the cation structure on interstitial transport in two spinel chemistries, inverse MgGa₂O₄ and double MgAlGaO₄. We emphasize two aspects of the transport properties: the unit mechanisms that are described by individual barriers, for which we introduce pole-figure-like plots, and the aggregate behavior of those unit mechanisms. Compared to previous work on normal spinels, we find that inversion significantly reduces the rate of interstitial transport in these structures and has an impact on the stability of defects as they move through the lattice. In particular, B cation interstitials are found to be kinetically stable only in the inverse MgGa₂O₄. These results provide new insight into relationship between structure, chemistry, and transport in spinels.     

Synthesis and characterization of Co5Cr2(P2O7)4 - New pyrophosphate as a colouring substance

A new pyrophosphate(V) of the formula Co₅Cr₂(P₂O₇)₄ was obtained in the system Co₂P₂O₇–Cr₄(P₂O₇)₃ as a result of solid-state reactions taking place between different reactants. The new compound crystallizes in the orthorhombic system and belongs to the family of pyrophosphates of the general formula M₅²⁺M₂³⁺(P₂O₇)₄ and is probably isostructural with Fe₅²⁺Fe₂³⁺(P₂O₇)₄. Powder diffraction pattern, infrared spectrum and SEM image of the new compound were presented. As a new potential inorganic pigment, Co₅Cr₂(P₂O₇)₄ was tested for its thermal stability, particle size distribution and colour properties, which were studied both for powder and after introduction into organic matrix and leadless ceramic glaze. The colour of Co₅Cr₂(P₂O₇)₄ powder was defined as deep grey with the colour coordinates L*/a*/b* = 60.63/-1.42/-3.41 and according to the hue angle (h° = 247.39°) it belongs to the blue region. Co₅Cr₂(P₂O₇)₄, with its relatively high thermal stability (t _m = 1230 ± 10 °C) and appropriate colour properties, is a good candidate to be used as inorganic pigment for colouring of acrylic paints. In the case of leadless glaze, the obtained compound acts as a dye.     

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.     

苛化提纯盐湖锂矿回收含氟碳酸锂的研究

主要论述了一种提纯盐湖锂矿和回收含氟碳酸锂的方法。工艺流程：盐湖锂矿（含氟碳酸锂）通过一次水洗涤除去其中所含的大部分可溶性杂质后,按一定配比将其投入到石灰乳料浆中加热到90~95 ℃反应4 h,过滤后得到氢氧化锂溶液,将氢氧化锂溶液在100~120 ℃下进行加压浓缩4 h精制得到钙镁离子和硅含量较低的氢氧化锂溶液;向精制后的氢氧化锂溶液中通入食品级二氧化碳沉锂得到工业级碳酸锂,或继续浓缩制备氢氧化锂;用以上工艺生产得到的工业级碳酸锂通过二次碳化、阳离子交换树脂除去钙镁离子、重结晶可得到硅含量为10×10^-6以内的高纯碳酸锂,或浓缩得到钙含量为5×10^-6、镁含量为2×10^-6以内的单水氢氧化锂。     

裴沟煤矿典型断裂构造带水化学变化特征

断裂运动是错综复杂的地质作用，物质组成的变化能够通过水质中阴阳离子含量直观表现。以裴沟煤矿近20年来的突（涌）水点化验数据为依据探究各含水层水化学普遍性质，发现阳离子含量和矿化度可以作为水源判别的重要指标，以典型构造浮山寨断层为对象研究断裂构造带水化学变化特征，结果显示距离断裂构造带越近，水中Ca²⁺+Mg²⁺含量减小、Na⁺+K⁺含量增大、矿化度降低，揭示断层两盘不同含水层间水掺和程度。     

低阶煤颗粒-气/油泡间的诱导时间研究

为表征低阶煤颗粒-气/油泡间矿化过程的差异,通过Sutherland理论下固体颗粒进入泡沫产品的总概率(E)和浮选速率常数(k)之间关系,并结合低阶煤颗粒-气/油泡的浮选速率试验,求得了低阶煤颗粒-气/油泡间的诱导时间。浮选实验研究表明,在相同的捕收剂消耗量下低阶煤-油泡浮选产率均高于低阶煤-气泡浮选产率。诱导时间测试表明,低阶煤颗粒-油泡间的诱导时间(35 ms)要明显低于低阶煤颗粒-气泡间的诱导时间(93 ms)。上述实验结果表明,油泡表面的疏水性要强于传统浮选气泡表面的疏水性。然而,进一步利用Sutherland理论中固体颗粒进入泡沫产品的总概率和浮选速率常数之间的数学关系,并结合低阶煤颗粒-气/油泡的浮选速率试验求得的低阶煤颗粒-气/油泡间的诱导时间分别为9.67和8.46 ms,其与诱导时间测试仪分别测量的诱导时间差异很大。这主要是由于在实际浮选过程中气/油泡的上升速度分别为23.26和22.68 cm/s,其远高于2015EZ型诱导时间仪测试过程中气/油泡碰撞速度(2.0 cm/s)。因此,诱导时间理论计算表明气泡-颗粒间的碰撞速度对颗粒-气泡间的诱导时间影响很大。上述研究结果表明油泡浮选效果优于传统浮选的内在原因在于低阶煤颗粒-油泡间的诱导时间小于低阶煤颗粒-气泡间的诱导时间。     

KJS-Y系列矿用水动力降尘器的改进设计

针对当前KJS-Y系列降尘器效率低的问题,通过调整叶轮轴向间隙与径向间隙参数,分别对不同安装参数的降尘器进行数值模拟,通过数值模拟分析特定截面压力分布情况,确定了叶轮最佳安装参数,大大提高了降尘器的工作效率,同时降低了设计成本。     

Flotation performance and adsorption mechanism of novel 1-(2-hydroxyphenyl)hex-2-en-1-one oxime flotation collector to malachite

A novel collector 1-(2-hydroxyphenyl)hex-2-en-1-one oxime (HPHO) was synthesized from 2-hydroxy acetophenone and butyraldehyde. Its flotation performance and adsorption mechanism to malachite were investigated by flotation test, zeta potential, Fourier transform infrared (FTIR) and X-ray photoelectron spectroscopy (XPS) analysis techniques. Compared with benzohydroxamic acid (BA), 1-(2-hydroxyphenyl)ethan-1-one oxime (HPEO) and sodium isobutyl xanthate (SIBX), HPHO exhibited excellent collecting power to malachite without additional reagents, such as Na₂S regulator and methyl isobutyl carbinol (MIBC) frother. Results of zeta potential indicated that HPHO was coated on malachite surfaces through a chemisorption process. FTIR and XPS data gave clear evidence for the formation of Cu–oxime complex on malachite surfaces after HPHO adsorption through the linkage between C=C, –OH, N–OH group and Cu species.     

煤粉锅炉脱硫系统中除尘器压差过高原因及解决方案

高倍率灰钙循环烟气脱硫技术在神东矿区的煤粉锅炉环保改造项目中已投入建设并成功运行,脱硫率可达95%以上。在NGD系统的运行调试期,布袋除尘器压差的数值及其上升速度均较改造前有大幅提高,影响了锅炉系统的正常运行并降低了布袋除尘器的运行效率。为了解决此问题,先分析滤料透气性降低而导致布袋除尘器压差上升的根本原因,再结合现场调研情况对NGD系统工况下的烟气含湿量、烟气温度、烟气灰浓度、除尘器本体的问题以及上游锅炉系统问题逐一进行对比和分析,并找出问题产生的各主要因素。NGD系统中布袋除尘器差压升高的原因包括多方面,为了使NGD系统的运行更加稳定,需要使除尘器适应NGD系统的工况并对系统中部分设备进行改造。在未来NGD系统的设计中,布袋除尘器需按高浓度烟气设计,且针对煤粉工业锅炉的运行、维护特性应加入对烟气中含水量的监测及对布袋除尘器的相应保护措施。