锂交换法制备六氟磷酸锂及表征

六氟磷酸和吡啶反应生成吡啶六氟磷酸,吡啶六氟磷酸和氢氧化锂通过锂交换反应生成吡啶六氟磷酸锂,在四氢呋喃溶剂中,吡啶六氟磷酸锂与浓硫酸反应生成六氟磷酸锂。实验研究了溶剂、反应温度、反应时间、配料比等对锂交换反应的影响,得到适宜的工艺条件:65℃反应4 h,原料配比n(C5H5NHPF6)∶n(LiOH)=1.0∶1.0,此条件下吡啶六氟磷酸锂收率94.5%;经核磁共振、红外光谱检测,吡啶六氟磷酸锂和LiPF6是目的产物。     

A computational approach to characterize formation of a passivation layer in lithium metal anodes

Li metal anode is the “Holy Grail” material of advanced Lithium-ion-batteries (LIBs). However, it is plagued by uncontrollable dendrite growth resulting in poor cycling efficiency and short-circuiting of batteries. This has spurred a plethora of research to understand the underlying mechanism of dendrite formation. While experimental studies suggest that there are complex physical and chemical interactions between heterogeneous solid-electrolyte interphase (SEI) and dendrite growth, most of the studies do not reveal the mechanisms triggering these interactions. To deal with this knowledge gap, we propose a multiscale modeling framework which couples kinetic Monte Carlo and Molecular Dynamics simulations. Specifically, the model has been developed to account for (a) heterogeneous SEI, (b) dendrite-SEI interactions, and (c) effect of electrolyte on Li electrodeposition and potential dendrite formation. This allows the proposed computational model to be extended to various electrolytes and SEI species and generate results consistent with previous experimental studies.     

Cold sintering of diatomaceous earth

Diatomite, a natural silicate-based sedimentary rock, was densified by cold sintering at room temperature and 150°C under various pressures (100, 200, and 300 MPa) and using different NaOH water solutions (0–3 M). The relative density of cold sintered diatomite can be as high as 90%, a condition that can be achieved by conventional firing only at 1200–1300°C. The cold sintered materials maintain the same mineralogical composition of the starting powder (quartz, glass, and illite) and are constituted by well-deformed and flattened grains oriented orthogonally to the applied pressure. Conversely, an evident phase evolution takes place upon conventional firing with the formation of cristobalite and mullite. The bending strength of cold sintered artifacts can exceed 40 MPa and increases to ≈80 MPa after post-annealing at 800°C, such mechanical strength is much larger than that of conventionally pressed samples sintered at 800°C, which is only ≈1 MPa.     

氢化锂材料车削表面粗糙度预测模型的建立

文章主要介绍了运用回归分析方法建立氢化锂车削表面粗糙度预测模型的方法。通过所建立的粗糙度预测模型，研究了车削过程中切削速度、进给量、切削深度对表面粗糙度的影响。经加工试验证明了该表面粗糙度预测模型的有效性，从而实现加工前在确定切削条件下预测和控制表面粗糙度的目的。     

基于SOC的串联锂离子电池组均衡策略研究

由于一致性问题的存在,成组电池在可用容量、使用寿命等方面远不及单体电池,电池组的均衡管理对电池的成组使用者有着重要的实际意义.论文就针对锂离子串联电池组的均衡技术进行了研究,首先介绍了电池组一致性问题产生的原因,指出均衡管理的重要意义,分析了锂离子电池组SOC的一致性和基于SOC的均衡策略,详细阐述了基于SOC的均衡技术实现,最终搭建实验平台进行测试,验证了所使用的均衡策略和硬件电路的有效性.     

Predicting cation ordering in MgAl2O4 using genetic algorithms and density functional theory

Genetic algorithms (GAs) together with classical pair potentials and density functional theory (DFT) are used to investigate cation order in MgAl₂O₄ (Spinel). To efficiently locate the global minimum/minima on the system potential energy surface, corresponding to the ordered and fully equilibrated low-temperature phase, local structural optimizations are essential. Such energy minimizations are expensive at the DFT level, but a comparison of the distribution of the energy minima from DFT and popular classical pair potentials allows one to rapidly tune the GA parameters. We show that GAs are able to find, not only the global minimum on the potential energy, but also other low-energy cation configurations representing possible frozen-in disordered or metastable phases after quenching. The nature of these low-energy configurations can help to interpret the extent of kinetic trapping which hampers the comparison between different experimental studies.     

Facile synthesis of rutile TiO2/carbon nanosheet composite from MAX phase for lithium storage

Titanium oxide (TiO₂), with excellent cycling stability and low volume expansion, is a promising anode material for lithium-ion battery (LIB), which suffers from low electrical conductivity and poor rate capability. Combining nano-sized TiO₂ with conductive materials is proved an efficient method to improve its electrochemical properties. Here, rutile TiO₂/carbon nanosheet was obtained by calcinating MAX (Ti₃AlC₂) and Na₂CO₃ together and water-bathing with HCl. The lamellar carbon atoms in MAX are converted to 2D carbon nanosheets with urchin-like rutile TiO₂ anchored on. The unique architecture can offer plentiful active sites, shorten the ion diffusion distance and improve the conductivity. The composite exhibits a high reversible capacity of 247 mA h g⁻¹, excellent rate performance (38 mA h g⁻¹ at 50 C) and stable cycling performance (0.014% decay per cycle during 2000 cycles) for lithium storage.     

燃烧炉内煤中矿物质行为研究

采用马弗炉和四角燃烧炉对煤中矿物质在加热过程中组分和含量变化利用Ｘ－射线衍射进行分析。结果表明,在燃烧炉内煤灰矿物质行为与在马弗炉内加热煤灰的矿物质行为基本一致;煤灰矿物质行为与原煤中矿物组成及含量关系较大。     

Potentiometric CO2 gas sensor with lithium phosphorous oxynitride electrolyte

Potentiometric cell, Au/LiCoO₂ 5 m/o Co₃O₄/Li_2.88PO_3.73N_0.14/Li₂CO₃/Au, has been fabricated and investigated for monitoring CO₂ gas. A LiCoO₂–Co₃O₄ mixture was used as the solid-state reference electrode instead of a reference gas. The idea is to keep the lithium activity constant on the reference side using thermodynamic equilibrium at a given temperature. The thermodynamic stability of the reference electrode was studied from the phase stability diagram of Li–Co–C–O system. The Gibb’s free energy of formation of LiCoO₂ was estimated at 500°C from the measured value of the cell emf. The sensors showed good reversibility and fast response toward changing CO₂ concentrations from 200 to 3000 ppm. The emf values were found to follow a logarithmic Nernstian behavior in the 400–500°C temperature range. CH₄ gas did not show any interference effect. Humidity and CO gas decreased the emf values of the sensor slightly. NO and NO₂ gases affect this sensor significantly at low temperatures. However, increased operating temperature seems to reduce the interference.     

低电阻率油层的成因类型与测井响应

低电阻率油层根据其成因影响因素可划分5种类型：岩石骨架导电型、高束缚水饱和度型、高矿化度地层水型、双孔隙度结构与裂缝并存型、咸水泥浆侵入型。导致油层电阻率降低的主要内在因素包括：储层岩石骨架中含有导电物质如含黄铁矿等金属矿物时,是导致低电阻油层形成原因之一;岩石中黏土矿物阳离子交换性与平衡阳离子的附加导电作用可以造成油层电阻率的明显降低,形成低电阻率油层;岩性细、泥质含量高、储层孔隙结构复杂化,孔隙吼道变小,微孔隙增多为束缚水提供了储存空间,形成高束缚水饱和度储层,导电能力增强,使油层电阻率变低。咸水泥浆侵入是油层电阻率变低的外在因素。