Ab initio calculations of the NO2 fission for CL-20 conformers

NO₂ fission is regarded to be the most important initial decomposition process of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20). In this study, four CL-20 conformers based on the ε-CL-20 were obtained after the optimization at m062x/cc-pvtz level, and the bond length, bond order and bond dissociation energy of the N-N bonds were examined to investigate the stability of these bonds. In addition, the rate constants and activation energy of the NO₂ fission were evaluated using the microcanonical variational transition state theory (μVT). The calculation results have shown that N-N bonds in the case of pseudo-equatorial and axial of nitro groups are the most stable and the least stable, respectively, by evaluating the bond length, bond order and minimum energy path (MEP). The NO₂ fission rate constants are affected by not only the stability of N-N bonds but also the repulsion forces from the other nitro groups, and the fission process for pseudo-equatorial positioning of nitro groups is easier to be accelerated due to the increase of the repulsion forces. The decomposition of CL-20 conformer may mainly originate from the fission of the pseudo-equatorial positioning of nitro groups, especially for CL-20 III conformer because of the significant low activation energy.     

Study on Wettability and Corrosion Behavior of Al2O3 Doped Polyurea Coatings

Protection of Metals and Physical Chemistry of Surfaces - The Al2O3 powder was added as a filler to polyurea and the effect of doping amount on Shore hardness and wetting property were...     

Porous sunflower plate-like NiFe2O4/CoNi–S heterostructure as efficient electrocatalyst for overall water splitting

Constructing high-efficient and nonprecious electrocatalysts is of primary importance for improving the efficiency of water splitting. Herein, a novel sunflower plate-like NiFe₂O₄/CoNi–S nanosheet heterostructure was fabricated via facile hydrothermal and electrodeposition methods. The as-fabricated NiFe₂O₄/CoNi–S heterostructure array exhibits remarkable bifunctional catalytic activity and stability toward oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) in alkaline media. It presents a small overpotential of 219 mV and 149 mV for OER and HER, respectively, to produce a current density of 10 mA cm^?2. More significantly, when the obtained electrodes are used as both the cathode and anode in an electrolyzer, a voltage of 1.57 V is gained at 10 mA cm^?2, with superior stability for 72 h. Such outstanding properties are ascribed to: the 3D porous network structure, which exposes more active sites and accelerates mass transfer and gas bubble emission; the high conductivity of CoNi–S, which provides faster charge transport and thus promotes the electrocatalytic reaction of the composites; and the effective interface engineering between NiFe₂O₄ (excellent performance for OER) and CoNi–S (high activity for HER), which leads to a shorter transport pathway and thus expedites electron transfer. This work provides a new strategy for designing efficient and inexpensive electrocatalysts for water splitting.     

Study on the Height of the Mining-Induced Water-Conducting Fracture Zone Under the Q 2l Loess Cover of the Jurassic Coal Seam in Northern Shaanxi,China

A method to calculate the height of a water-conducting fractured zone (HWCFZ) was developed based on the plate and shell theory, and the development of the HWCFZ in bedrock and Q2l loess strata is discussed in detail. First, the subsidence-deflection curve equation of the overlying stratum is theoretically derived, and then the ultimate deflection and free space height of rock strata are calculated. Moreover, the strata tensile strain is calculated by using integral calculus. In addition, the failure state of the rock is analyzed by comparing the theoretically calculated tensile strain with the experimentally measured yield tensile strain, allowing one to attain the maximum value of HWCFZ. This approach was tested at the Jinjitan coal mine; the theoretically predicted, experimentally measured, and numerically computed maximum HWCFZ values were 189.5, 187.3, and 188.5 m, respectively, demonstrating the accuracy of the proposed method. These results are highly significant for safe and environment-friendly coal mining in northwest Shaanxi, China.     

空间红外大口径折射式低温镜头设计与验证

针对目标探测类空间红外相机大范围成像、高灵敏度探测、高精度定位等应用需求,文中提出采用像方远心光路和低温光学技术结合的解决方案,设计了物方视场角8°×8°、入瞳口径265 mm、工作温度200 K的像方远心折射式光学系统。镜头最大口径280 mm,采用多级分散的弹性支撑设计,解决大口径低温透镜装框、透镜组件支撑和镜头整体安装各环节的热应力卸载问题。在保证高刚度和低漏热的情况下,使低温下透镜的热应力对镜头能量集中度的影响降低到可接受范围内。镜头完成装调及室温下像质确认后,进行了力学振动试验,并将其制冷到200 K水平测试像质,测试结果表明,镜头能量集中度达到轴上75%,边缘视场72%。     

西气东输放空系统的设计与研究

论述了石油天然气行业中的放空系统工作原理，研究了西气东输采用的放空点火系统特点，讨论了放空立管的计算模型，提出了比较符合实际情况的计算模型，指出在桅杆结构的计算分析中，应该考虑钢丝绳的弹性支撑作用。钢丝绳的弹性支撑作用对结构的周期计算、风荷载导算、地震作用的计算都有较大的影响。     

番禺30-1砂岩强水驱气藏储层非均质性研究

针对垂向非均质性严重且边底水能量强的番禺30-1气田面临的潜在开发问题，通过岩心分析及测井二次解释，对其夹层特征及储层非均质性等进行了研究，划分出19个流动单元并定量描述了各流动单元的特征参数，建立了该气田的精细地质模型。综合评价表明，新建的地质模型具有较高的精度，为该气藏合理开发提供了坚实的地质基础。