Novel high-energy ionic molecules deriving from new monovalent and divalent 4-oxyl-3,5-dinitropyrazolate moieties

ABSTRACT

In recent years, the exploration of a practical strategy for novel energetic molecules with high energy and low sensitivity is very desirable but highly challenging. Novel ionic energetic molecules have attracted much attention in this area due to their prominent advantages including low sensitivities, high thermal stability, and excellent energy performances. Herein, five different ionic energetic molecules based on new monovalent and divalent 4-oxyl-3,5-dinitropyrazolate moieties with enhanced oxygen balance have been synthesized, characterized and evaluated as potential high-energy materials. Thermal stability, sensitivities and energy output test were measured and studied in detail. The heats of formation and energetic parameters were calculated by using Gaussian 09 suite of programs and EXPLO 5 code. The results suggest that all as-prepared new molecules exhibit good thermal stability with high decomposition temperature (3, 231°C; 5, 160°C; 6, 185°C; 7, 180°C; 8, 213°C), and relative low sensitivity (IS > 20 J, FS = 324 N). Inheriting the significant oxygen content of monovalent and divalent 4-oxyl-3,5-dinitropyrazolate moieties, they also possess good energy properties (v _D = 8238 ~ 9208 m s^?1, P = 26.8 ~ 36.7 GPa, V _o = 481.8 ~ 959.4 L kg^?1), which make them competitive high-energy materials.     

Plasmonic coupling-enhanced in situ photothermal nanoreactor with shape selective catalysis for C-C coupling reaction

Carbon-carbon (C-C) coupling reactions represent one of the most powerful tools for the synthesis of complex natural products, bioactive molecules developed as drugs and agrochemicals. In this work, a multifunctional nanoreactor for C-C coupling reaction was successfully fabricated via encapsulating the core-shell Cu@Ni nanocubes into ZIF-8 (Cu@Ni@ZIF-8). In this nanoreactor, Ni shell of the core-shell Cu@Ni nanocubes was the catalytical active center, and Cu core was in situ heating source for the catalyst by absorbing the visible light. Moreover, benefiting from the plasmonic resonance effect between Cu@Ni nanocubes encapsulated in ZIF-8, the absorption range of nanoreactor was widened and the utilization rate of visible light was enhanced. Most importantly, the microporous structure of ZIF-8 provided shape-selective of reactant. This composite was used for the highly shape-selective and stable photocatalysed C-C coupling reaction of boric acid under visible light irradiation. After five cycles, the nanoreactor still remained high catalytical activity. This Cu@Ni@ZIF-8 nanoreactor opens a way for photocatalytic C-C coupling reactions with shape-selectivity.

     

The influence of cryogenic rolling on a transformation-induced plasticity steel

ABSTRACT

Here, a novel cryogenic rolling plus intercritical annealing process was applied to a transformation-induced plasticity (TRIP) steel with a low chemical composition of carbon and manganese. Compared with traditional cold rolling, obvious grain refinement was observed, due to a high amount of dislocations retained. In addition, austenite volume fraction was increased, because of a unique nucleation mechanism. Subjected to cryogenic rolling, strength and ductility were increased, due to the enhanced austenite stability, which provided continuous and active TRIP effect. Consequently, tensile strength was increased to 1030?MPa, and elongation was increased to 38.2%. Thus, a great mechanical combination was obtained in a steel with a relatively low chemical composition with carbon and manganese, only by cryogenic rolling process.     

关于资源补偿费计算方法的探讨

在分别讨论了矿产资源价值、资源税、权利金和资源补偿费的基础上,明确了资源补偿费的基本内涵,并对1994颁布的《矿产资源补偿费征收管理规定》中的资源补偿费计算公式进行了分析、转换,提出矿产资源补偿费的理论计算方法。     

大采深综采放顶煤条件下地表移动规律初探

本文通过对阳泉矿务局二矿地表移动观测站观测资料的分析研究 ,初步揭示了大采深综采放顶煤地表移动规律 ,为进行类似条件下的“三下”采煤奠定了基础。     

MKP结合高铝质耐火浇注料的性能研究

研究了以氧化镁和磷酸二氢钾反应所得的镁质磷酸盐水泥胶凝材料（MKP）为结合剂的高铝质浇注料的性能及影响该浇注料性能的诸因素。探索性研究发现：硅灰的用量是该浇注料体系850℃和1 100℃强度的主要影响因素,MKP胶凝体系的用量是110℃强度的主要决定因素,而1 100℃的线收缩率的主要影响因素是氧化镁和磷酸二氢钾的摩尔比值。并且此浇注料的强度不但与煅烧温度有关,而且还和氧化镁的活性有关,因此可以通过调节硼砂的量和氧化镁的活性来调节体系的可作业时间。     

关于“回”字的建筑写法

现在大多数是建筑师和室内设计师分工协作，在一个空间设计中，两者谁占主导位置，其最后的空间感觉也就相应的偏向那一方，就设计本身而言没有什么对和错，好与坏，只要是适用的设计那就是合理的。     

工字形铝合金偏心压杆平面外稳定承载力研究

运用ANSYS软件对工字形铝合金偏心压杆平面外稳定承载力进行了研究,分别讨论初弯曲、残余应力和截面厚度偏差等缺陷对杆件平面外稳定承载力的影响,提出稳定系数曲面的概念,指出平面外稳定系数是相对偏心率e′和相对长细比λ的二元函数,在空间上为一连续的曲面。并对不同截面尺寸杆件的平面外稳定系数进行大量计算分析,以此为基础拟合出了平面外稳定系数曲面=f(λ,e′)的函数表达式,可供设计参考。