以硅酸盐材料为背景的教学素材开发

针对一线教师在设计硅酸盐材料一课时面对的困难,开发了与陶瓷、玻璃、水泥相对应的石家河红陶杯、洛阳浮法玻璃、白鹤滩大坝等3个教学素材。包含2个原创实验、7个资料、14个原创提问。开发的素材可用于硅酸盐材料高一新授课或以硅酸盐材料为情境的高三复习课中,也可为原创题的命制者提供参考。素材的选择遵循了立德树人的理念,培养了学生的爱国情怀,同时也提升了高级思维能力。     

水化硅酸钙纳米压痕分子动力学模拟方法优化

针对水化硅酸钙纳米压痕模型忽视了压头与基底之间相互作用的问题，由尺寸差异引起的金刚石压头难以计算的问题，以及Wittmann模型无法得到实际接触面积的问题，提出了新的模型与计算方法．结合分子动力学方法，采用金刚石压头-Wittmann模型基底的组合方式构建无定形态水化硅酸钙纳米压痕试验模型．在建模阶段，考虑到压头模型与基底模型粒子间尺寸差异，提出了等比例替换模型，通过公式推导并就不同尺寸模拟结果验证了等比例替换模型的可行性．在计算阶段，提出了局部前处理的弛豫方法进行模拟．确定最大荷载位置处的接触面积为546 nm2，进而求出水化硅酸钙模型硬度H为0.84 GPa、折合模量Er为30.52 GPa．并通过纳米压痕试验，验证了模拟结果的准确性，证明了模型的科学性，对今后水化硅酸钙(C-S-H)纳米层面的模拟具有重要借鉴意义．     

New glass ceramics: an effective conjunction of wet chemistry synthesis and sintering

A glass with CdS nanoparticles was used simultaneously as a matrix for Ce-doped garnet and a yellow-red phosphor to prepare luminescent glass ceramics for the sources of white light. CdS nanoparticles compensate for the unbalanced Ce³⁺ emission spectrum of the composite material due to the addition of a red component. The synthesized composite material can be a tunable light converter due to altered luminescence spectra by changing the sintering conditions and excitation wavelength     

Robust nickel silicate catalysts with high Ni loading for CO2 methanation

CO₂ is the main component of greenhouse gases and also an important carbon source. The hydrogenation of CO₂ to methane using Ni-based catalysts can not only alleviate CO₂ emissions but also obtain useful fuels. However, Ni-based catalysts face one major problem of the sintering of Ni nanoparticles in the process of CO₂ methanation. Thus, this work has synthesized a series of efficient and robust nickel silicate catalysts (NiPS−X) with different nickel content derived from nickel phyllosilicate by the hydrothermal method. It was found that the Ni loading plays a critical role in the structure and catalytic performance of the NiPS−X catalysts. The catalytic performance gradually increases with the increase of Ni loading. In particular, the highly dispersed NiPS-1.6 catalyst with a high Ni loading of 34.3 wt% could obtain the CO₂ conversion greater than 80%, and the methane selectivity was close to 100% for 48 h at 330 °C and the GHSV of 40,000 mL g⁻¹ h⁻¹. The excellent catalytic property can be assigned to the high dispersion of Ni nanoparticles and the strong interaction between the active component and the carrier, which is derived from a unique layered silicate structure with lots of nickel phyllosilicate and a large number of Lewis acid sites.     

Heterogeneous oxidation of cyclohexanone catalyzed by TS-1:Combined experimental and DFT studies

The reaction mechanism of the oxidation of cyclohexanone catalyzed by titanium silicate zeolite TS-1 using aqueous H2O2 as the oxidant was investigated by combining density function theory (DFT) calculations with experimental studies. DFT calculations showed that H2O2 was adsorbed and activated at the tetrahedral Ti sites. By taking into account the adsorption energy, molecular size, steric hindrance and structural information, a reaction mechanism of Baeyer-Villiger oxidation catalyzed by TS-1 that involves the activation of H2O2 was proposed. Experimental studies showed that the major products of cyclohexanone oxidation by H2O2 catalyzed by a hollow TS-1 zeolite wereε-carprolactone, 6-hydroxyhexanoic acid, and adipic acid. These products were analyzed by GC-MS and were in good agreement with the proposed mechanism. Our studies showed that the reaction mechanism on TS-1 zeolite was different from that on Sn-beta zeolite.     

羟基硅酸盐润滑油添加剂对45#钢/球墨铸铁摩擦副摩擦磨损性能的影响

采用MM-200型摩塔磨损试验机考察了45^#钢／球墨铸铁摩擦副在650SN基础油和含羟基硅酸盐矿物复合微粉的650SN基础油(KF-1)润滑下的摩擦磨损性能，结果表明：在650SN基础油润滑下的摩擦系数和磨损率随试验时间增加变化较小；而在KF-1润滑下，试验初期的摩擦系数和磨损率比基础油润滑下的稍大，随着试验时间的延长，相应的摩擦系数和磨损率同基础油润滑下的相比明显降低．磨损表面显微硬度测试结果表明，在KF-1润滑下45^#钢磨损表面形成了多孔摩擦改性层，硬度明显提高，因而摩擦磨损性能显著改善．     

Selective Oxidation of Alcohols with a New Reagent: Iron(III) Nitrate Supported on Aluminum Silicate

A selective and effective oxidation of alcohols, except aliphatic alcohols, such as 1‐hexanol or 1‐octyl alcohol, to the corresponding aldehydes and ketones using a new reagent, iron(III) nitrate supported on aluminum silicate, under heterogeneous conditions with reflux with 85–98% yield is described.     

Evolution and properties of antiphase boundaries in silicate minerals

Experimental and observational evidence is reviewed for the mechanisms and kinetics of antiphase domain coarsening in silicate minerals. The expected rate law has the form (domain size)ⁿ ≈ annealing time, but the ideal value of n=2 has been observed in only one of three cases. Values of n≈8 or 10 are interpreted as implying adsorption of impurity atoms onto the antiphase boundaries. Diffusion of these impurities can then provide the rate determining step for boundary migration. Local ordering at the boundaries can also provide some stabilising influence, though this does not appear to affect the coarsening rate law. If the stabilisation is sufficient it might result in the development of an incommensurate superstructure, either as a stable phase or as a metastable phase under non-equilibrium conditions. The effective width of these boundaries appears to be ～ 25°, or approximately two unit cells, and their maximum effective interaction length appears to be ～ 4 times this width.     

Li-defect interactions in electron-irradiated n-type silicon by EPR measurements

Single crystal silicon, both with and without oxygen, has been diffused with lithium to concentrations ～10¹⁷/cm², irradiated with 1 to 1.5 MeV electrons, and the ensuing defects studies by EPR measurements. The presence of oxygen strongly affects the properties of these defects. Measurements have indicated the presence of two new defects which involve Li-one in O-containing material and one in O-free material. The defects are observed in their electron-filled state, and indicate a net electron spinof ½. The defect spectra disappear (with time) at room temperature, and can be explained by the formation of other Li-involved defects which lie deeper in the energy bandgap and are not visible by EPR. Electron irradiation at 40 °K followed by annealing at higher temperatures show that both EPR defects described above begin to form at about 200 °K and begin to decrease at about 275 °K-just as does the 250 °K reverse annealing observed generally for n-type Si. Based on these data, and the work of others, it is suggested that both defects form as a result of the motion of Si interstitials which produce a (Li-O-interstitial) complex in O-containing Si, and a (Li-interstitial) complex in O-free Si.     

A new nonlinear optical silicate carbonate K2Ca[Si2O5](CO3) with a hybrid structure of kalsilite and soda-like layered fragments

Single crystals of a new silicate carbonate, K₂Ca[Si₂O₅](CO₃), have been synthesized in a multi-components hydrothermal solution with a pH value close to neutral and a high concentration of a carbonate mineralizer. The new compound has an axial structure (s.g. P6₃22) with unit cell parameters a = 5.04789 (15), c = 17.8668 (6) Å. Pseudosymmetry of the structure corresponds to s.g. P6₃/mmc which is broken only by one oxygen position. The structure consists of two layered fragments: one of the type of the mineral kalsilite (KAlSiO₄) and the other of the high-temperature soda-like α-Na₂CO₃, Ca substituting for Na. The electro-neutral layer K₂[Si₂O₅] (denoted K) as well as the layer Ca(CO₃) (denoted S) may separately correspond to individual structures. In K₂Ca[Si₂O₅](CO₃) the S-K layers are connected together via Ca-O interactions between Ca atoms from the carbonate layer and apical O atoms from the silicate one, and also via K-O interlayer interactions. A hypothetical acentric structure, sp.gr. P-62c, is predicted on the basis of the order-disorder theory. It presents another symmetrical option for the arrangement of K-layers relative to S-layers. The K,Ca-silicate-carbonate powder produces a moderate SHG signal that is two times larger that of the α-quartz powder standard and close to other silicates with acentric structures and low electronic polarizability.