Vapour-diffusion assisted growth of oriented et-cobalt hydroxide thin films

Layered α-cobalt hydroxides Co（OH1.65 Cl0.35.0.5H2O （1）, Co（OH）1.75（NO3）0.25.0.1H2O（2） with unique macro- and microscale morphologies have been synthesised by a low temperature, ammonia-controlled vapour-diffusion method. The materials have thin film morphologies and were characterized by X-ray powder diffraction （XRD） and field emission scanning electron microscopy （FESEM）.     

非离子表面活性剂体系层状液晶中硫化锌纳米颗粒的抗磨性

利用层状液晶中溶剂厚度的限定性,在ＴｒｉｔｏｎＸ－１００／Ｃ１０Ｈ２１ＯＨ／Ｈ２Ｏ体系层状液晶中,分别各以０．１ｍｏｌ／Ｌ的Ｚｎ（ＣＨ３ＣＯＯ）２和Ｎａ２Ｓ水溶液代替组分水制备出粒径约为１０ｎｍＺｎＳ颗粒,并对层状液晶中ＺｎＳ纳米颗粒的抗磨性能进行了研究,结果表明,ＺｎＳ纳米颗粒能提高ＴｒｉｔｏｎＸ－１０Ｃ１０Ｈ２１ＯＨ／Ｈ２Ｏ体系层状液晶的抗磨性,但对极压性能无影响。     

无氢类金刚石薄膜表面H2O和O2分子共同作用的第一性原理计算

无氢类金刚石碳基薄膜(Diamond-like carbon,DLC)在潮湿大气环境中具有较低的摩擦系数,这主要是由于环境中的H₂O和O₂两种活性分子钝化了无氢DLC薄膜表面的悬键,但迄今两种活性分子对无氢DLC薄膜低摩擦行为的协同影响机制仍不清楚. 本文中通过第一性原理计算方法研究了H₂O和O₂分子共存时在金刚石表面的钝化状态,并推测了无氢DLC薄膜实现低摩擦的可能途径. 结果表明:H₂O和O₂两种活性分子在金刚石表面分解形成OH、H及O基团,其中O原子和H原子的相互吸引能够促使其形成OH基团. 当H₂O分子和O₂分子按比例2:1共存时,金刚石表面全部由OH基团钝化,而非2:1比例时,金刚石表面会形成C-OH、C-H和C-O共存的复杂情况.      

Controllable magnetic properties of cobalt ferrite particles derived from layered double hydroxide precursors

Cobalt ferrite CoxNi1-xFe2O4 (x=0, 0.5, 1) particles with controllable magnetic properties have been pre-pared by calcination of co-substituted NiFe2+Fe3+-layered double hydroxide (NiFe2+Fe3+-LDH) precursors prepared via a scalable method involving separate nucleation and aging steps (SNAS). Their structural and magnetic characteristics were investigated by powder X-ray diffraction (XRD), scanning electron microscopy (SEM) and vibrating sample magnetometry (VSM). Measurements of magnetic properties show that the saturation magnetization (Ms) and coercivity (Hc) of the calcined products increased with increasing cobalt content. The LDH precursor-based product obtained by calcination of a mixture of CoFe2+Fe3+-LDH and NiFe2+Fe3+-LDH powders with a Co/Ni molar ratio of 1:1, exhibits a moderate value of Ms and an increased value of Hc compared to the corresponding values for an Ni0.5Co0.5Fe2O4 material prepared by calcination of a Co0.5Ni0.5Fe2+Fe3+-LDH precursor, and a physical mixture of CoFe2O4 and NiFe2O4 with a Co/Ni molar ratio of 1 : 1. These results may provide a way to regulate magnetic anisotrupy of ferrite spinels by varying the composition of the LDH precursors.     

Synthesis of layered cathode materials Li[CoxNiyMn1-x-y]O2 from layered double hydroxide precursors

Cathode materials Li[CoxNiyMn1-x-y]O2 for lithium secondary batteries have been prepared by a new route using layered double hydroxides (LDHs) as a precursor. The resulting layered phase with the α-NaFeO2 structure crystallizes in the rhombohedral system, with space group R-3m having an interlayer spacing close to 0.47 nm. X-ray photoelectron spectroscopy (XPS) was used to measure the oxidation states of Co, Ni and Mn. The effects of varying the Co/Ni/Mn ratio on both the structure and electrochemical properties of Li[CoxNiyMn1-x-y]O2 have been investigated by X-ray diffraction and electrochemical tests.The products demonstrated a rather stable cycling behavior, with a reversible capacity of 118 mAh/g for the layered material with Co/Ni/Mn = 1/1/1.     

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``自燃'是燃料化学动力学控制的基本燃烧现象. 本文通过正庚 烷详细化学动力学机理和简化骨干机理相结合的研究方法,验证了Livengood-Wu ``爆震累积临界值'概念(knock integral approach). 证明当反应H$\cdot``自燃'是燃料化学动力学控制的基本燃烧现象. 本文通过正庚 烷详细化学动力学机理和简化骨干机理相结合的研究方法,验证了Livengood-Wu ``爆震累积临界值'概念(knock integral approach). 证明当反应H$\cdot ``自燃'是燃料化学动力学控制的基本燃烧现象. 本文通过正庚 烷详细化学动力学机理和简化骨干机理相结合的研究方法,验证了Livengood-Wu ``爆震累积临界值'概念(knock integral approach). 证明当反应H$\cdot ``自燃'是燃料化学动力学控制的基本燃烧现象. 本文通过正庚 烷详细化学动力学机理和简化骨干机理相结合的研究方法,验证了Livengood-Wu ``爆震累积临界值'概念(knock integral approach). 证明当反应H$\cdot"自燃"是燃料化学动力学控制的基本燃烧现象.本文通过正庚烷详细化学动力学机理和简化骨干机理相结合的研究方法,验证了Livengoodo-Wu"爆震累积临界值"概念(knock integral approach).证明当反应H·+O_2=O·+OH·的高活化能势垒被击穿,形成高浓度OH自由基,混合气释放出大量的热量,系统温度急剧升高,自燃发生.本文还介绍了"均质压燃、低温燃烧"技术的研究进展,燃料自燃过程的控制是现代内燃机技术的重要内容.     

Al(OH)3对聚丙烯腈粉火焰传播特性影响研究

为研究Al(OH)₃粉体抑爆剂对聚丙烯腈（polyacrylonitrile, PAN）粉尘爆炸的抑制作用,利用透明管道爆炸传播测试系统,研究不同含量的Al(OH)₃对PAN粉尘爆炸火焰传播形态、温度等参数的影响,并采用扫描电镜、热重分析仪、傅里叶红外光谱仪研究Al(OH)₃抑制PAN粉尘爆炸的微观特征,总结出Al(OH)₃对PAN粉尘爆炸的抑制机理。测试结果表明,随着Al(OH)₃质量分数的增加,PAN粉尘爆燃的最大火焰传播距离和传播速度逐渐减小。同时压力监控及温度监控结果显示,随着Al(OH)₃质量分数的增加,PAN粉尘的最大爆炸压力及最大温度均逐渐减小,由此验证了Al(OH)₃对PAN粉尘爆炸的抑制作用,且60%质量比的Al(OH)₃的抑制效果最好。通过对PAN粉尘爆炸固态产物表征及热分析的研究,从物理和化学两个方面分析了Al(OH)₃对PAN粉尘火焰的抑制机理,物理抑制包括包覆、吸热降温、气体惰化3种方式,化学抑制主要通过消耗维持燃烧爆炸连锁反应的关键自由基?O和?OH减少了自由基?H、?OH与?O之间的放热反应。     

CH4/O2/CO2预混体系爆炸动力学研究

为探究甲烷在富氧条件下的火焰动力学规律,以CH₄/O₂/CO₂预混体系为研究对象,在小尺度方形透明管道中进行了一系列爆炸实验,探讨了初始环境温度波动对爆炸参数的影响,并对预混体系的燃烧机理进行分析。结果表明:在273 K的环境温度下,化学当量比φ=0.8~1.0且氧气相对比γ<0.30和φ=1.2且γ<0.35的预混体系不能被点燃,而其他预混体系均可被点燃,最终产生郁金香与非郁金香两种火焰类型,并且根据郁金香火焰独特的演变特征,又划分为T形郁金香火焰和不对称郁金香火焰;随着γ的增大,无量纲火焰传播速度v/(S_Lσ)的变化趋势由“两升两降”转变为“一升一降”。初始环境温度的升高并未对火焰传播速度和爆炸超压的变化趋势产生影响,但是会导致最大爆炸超压p_max和最大火焰传播速度降低。值得注意的是,初始环境温度对爆炸强度的影响随化学当量比的减小而增强。另外,与最大爆炸超压相比,最大火焰传播速度与层流燃烧速度之间的关系更紧密。从敏感性分析中可知:层流燃烧速度对自由基链式反应R38(即H+O₂=O+OH)表现出最大的正敏感度,对R52(即H+CH₃(+M)=CH₄(+M))表现出最大的负敏感度,并且对自由基OH的生成速率最敏感,当初始环境温度升高至303 K时,层流燃烧速度对R38(正)和R52(负)的敏感度降低;H、O和OH自由基总摩尔分数的增大会削弱热扩散的不稳定性,增强流体力学的不稳定性。     

辛烷基苯酚聚氧乙烯醚与正癸醇层状液晶的结构及润滑性能研究

用小角Ｘ射线衍射和自旋标记电子自旋共振（ＥＳＲ）方法测定辛烷基苯酚聚氧乙烯醚与正癸醇体系层状液晶的结构。用高速环－块摩擦磨损试验机考察了不同组分含量的层状液晶对铝合金－钢摩擦副的润滑作用。结果表明：随着水含量的增加,层状液晶稳定性降低,润滑效果变差;随着辛烷基苯酚聚氧乙烯醚含量的增加,层状液晶的稳定性增加,润滑性能提高。     

Multiline hydroxyl tagging velocimetry measurements in reacting and nonreacting experimental flows

A compact micro-lens optical system is developed that produces a 7×7 multi-line optical grid for Hydroxyl Tagging Velocimetry (HTV) and generates at least 49 resolvable velocity vectors. Single-photon photodissociation of ground-state H₂O by a ~193-nm ArF excimer laser writes a 7×7 beam molecular grid with very long gridlines of superequilibrium OH and H photoproducts in either room air flowfields or in H₂-air flames due to the presence of H₂O vapor. The displaced OH tag line positions are revealed through fluorescence by A²⁺ (v=0)X²_i (v=0) OH excitation using a ~308-nm pulsed frequency-doubled dye laser. Time-of-flight analysis software determines the instantaneous velocity field in either an air nozzle or in a hydrogen/air flame. The OH tag lifetime is measured and compared to theoretical predictions using detailed chemistry. The lifetime of the OH tag is significantly enhanced by the presence of O atoms from 193-nm photodissociation of O₂.     

Mild hydrothermal preparation of a layered metal hydroxide salt with microtube/rod morphology

Microtubes/rods of the layered metal hydroxide salt compound Cd2(OH)3(DS).nH2O, where DS stands for dodecyl sulfate sandwiched between two adjacent inorganic sheets, have been synthesized for the first time through a mild hydrothermal reaction route. The microtubes/rods have a diameter of about 1 μm and a length ranging from several microns to 20 μm. The growth process of microtubes/rods under the experimental conditions employed follows a dissolution-recrystallization route.     

Preparation and characterization of LiAlxCoyNi1-x-yO2 particles

Lithium-aluminum-cobalt-nickel oxide (LiAlxCoyNi1-x-yO2) particles, generally used as cathode of lithium battery, were prepared by chemical coprecipitation from an aqueous solution of LiOH, AI(NO3)3, Co(NO3)2 and Ni(NO3)2 with NH4OH. XRD, SEM and FTIR were used to examine the effect of nickel content on the product. FHR patterns showed that increase in nickel content decreased the absorption strength of the peak of spinel structure of the product, attributed to the occupation by nickel in the aluminum sites. Particle size and electrical properties of the lithium-aluminum-cobalt-nickel oxide (abbreviated as LACNO) particles were also determined.     

SiC—Ni—Co—Mo—PbO系高温自润滑金属基陶瓷材料摩擦学性能的试验研究

采用粉末冶金工艺中和中频励套感应力高温快速热压法制备了ＳｉＣ－Ｎｉ－Ｃｏ－Ｍｏ－ＰｂＯ系高温自润滑金属基陶瓷材料，并且对这种材料的机械性能和摩擦磨损性能进行了试验研究。同时还就其高温自润滑机理作了分析与探讨。     

HVOF制备的微纳米结构WC-12Co涂层组织结构与抗空蚀性能

本文中采用HVOF工艺制备了二种微纳米结构及一种普通微米WC-12Co金属陶瓷复合涂层,并采用SEM、XRD等分析了涂层的显微形貌和组织结构;测量了涂层的显微硬度、孔隙率及开裂韧性;采用超声振动空蚀装置研究了涂层的抗空蚀性能,探讨了涂层空蚀机理.结果表明:由亚微米与纳米WC-12Co组成的微纳米结构涂层孔隙率最低,组织最细小;虽然HVOF制备的微米WC-12Co涂层中WC基本上没有产生氧化脱碳,但是在二种微纳米结构WC-12Co涂层中WC不同程度地产生氧化脱碳,生成W₂C、W及Co₆W₆C等物相;由亚微米与纳米WC-12Co组成的微纳米结构涂层显示了最优异的抗空蚀性能,空蚀率仅为微米涂层的1/3,其涂层抗空蚀性能提高的根本原因在于涂层中同时存在亚微米和纳米尺寸的WC、W₂C、Co₆W₆C高硬度颗粒及一定量的Co、W韧性金属,由此提高了涂层的硬度和开裂韧性,延缓了微裂纹的产生与扩展.     

高速冲击压缩梯恩梯的分子动力学模拟

采用反应力场分子动力学方法模拟了梯恩梯(2,4,6-trinitrotoluene,TNT) 冲击压缩过程. 冲击压缩完全时,体积压缩至原体积40%,梯恩梯分子分解完毕,体系压力达到峰值. 随后稀疏波反向拉伸致大量原子或分子基团飞溅至下游,同时压力开始卸载. 密度及粒子速度剖面显示压缩波后方密度较大,粒子基本处于静止状态,且压缩波内存在较大的粒子速度梯度. 早期化学反应特征是梯恩梯分子在冲击压缩作用下脱落H,O 原子后残基快速聚合形成较大的分子团簇,此阶段和平动—振动弛豫过程相关,并且分子由平动—振动模态转换的时间尺度为0.5 ps. 产物识别分析显示梯恩梯在高速冲击压缩下致C—H,O＝N 键断裂,脱落的原子部分形成OH,H₂,H₂O,N₂,部分H,O 原子游离在体系中. 含碳团簇分析显示,冲击压缩作用致体系中含碳团簇的摩尔质量逐渐累积. 体系内含碳团簇中O/C,H/C,N/C 原子数量比值逐渐趋于平衡(O/C=0.680,H/C=0.410,N/C=0.284),且均小于初始结构中的比值.      

天然橡胶磨粒侵蚀过程中的表面化学效应

研究了天然橡胶分别在含石英砂的清水、聚丙烯酰胺溶液和氢氧化钠溶液冲击作用下磨粒侵蚀过程中所发生的表面化学效应，并且利用扫描电子显微镜、Ｘ射线光电子能谱仪和傅立叶表面红外仪，对天然橡胶在磨损前后的表面形貌、元素的化学状态和官能团进行了观察与分析。     

旋转爆轰胞格结构的实验和数值研究

对爆轰波在环形圆管(预混气体为2H2/O2/Ar)内的传播分别进行了实验和数值研究。实验研究 采用烟迹板记录了环形圆管内爆轰波的胞格结构。数值计算利用二阶附加半隐的Runge-Kutta法和五阶 WENO格式分别离散欧拉方程的时间和空间导数项,采用基元反应简化模型描述化学反应过程,得到了旋转 爆轰的流场及数值胞格结构。实验和数值模拟结果表明:爆轰波在圆环管中传播时,由于圆环的内壁发散、外 壁收敛,圆环内侧爆轰强度小于外侧,胞格尺寸较大;内侧OH 的分布区域大于外侧,浓度较低。旋转爆轰的 这种性质,使爆轰波能以稳定的角速度绕轴旋转。     

增强颗粒对铝基复合材料摩擦学性能的影响

采用自制的摩擦磨损试验机考察了增强颗粒对铝基复合材料摩擦磨损性能的影响。结果表明：在基体合金、陶瓷颗粒尺寸和体积分数相同的条件下,SiC增强铝基复合材料的摩擦磨损性能优于Al2O3增强铝基复合材料;增大颗粒尺寸或增加颗粒体积分数均使得SiC颗粒增强铝基复合材料的平均摩擦系数略有降低,耐磨性能提高;在与半金属摩擦材料配副时,颗粒增强铝基复合材料的摩擦系数与基体合金的相近,耐磨性能提高了3个数量级。     

DNS Study of the Optimal Chemical Markers for Heat Release in Syngas Flames

The purpose of this study is to identify a quantitative marker of the heat release rate (HRR) distribution using experimentally measurable species. Turbulent syngas (CO/H₂/air) flames with different equivalence ratios, H₂/CO ratios, and turbulence intensities are computed by Direct Numerical Simulations (DNS) in order to obtain an indirect but accurate estimation of heat release profiles. To check the robustness of the estimation, two different kinetic mechanisms have been considered. Based on a direct image analysis of the DNS results, normalized species concentrations combined with exponents are systematically tested in an attempt to reconstruct as accurately as possible the field of heat release rate. A systematic comparison is used to identify the best possible exponents associated with each species combination. Differing from previous studies, the present analysis takes into account the local thickness of the turbulent heat release zone. As a consequence, the obtained optimal species combinations represent not only the position of peak heat release but also local changes in the topology of the reaction zone (thickness, curvature). In the end, the heat release rate of atmospheric syngas flames can, in general, be best approximated using the concentrations of HCO and OH, using \(\overline {c}_{HCO}^{1.5}\times \overline {c}_{OH}^{0.75}\), when considering only species that are measurable by Laser-Induced Fluorescence. Another excellent reconstruction would be \(\overline {c}_{CH_{2}O}^{0.32}\times \overline {c}_{OH}^{0.8}\), for cases where CH₂O is preferred to HCO.