One-Pot Synthesis,Crystal Structure,and Thermal Decomposition Behavior of 1,1ʹ-Diamino-4,4ʹ,5,5ʹ-Tetranitro-2,2ʹ-Biimidazole

1,1?-Diamino-4,4?,5,5?-tetranitro-2,2?-biimidazole (DATNBI) was synthesized, by employing one-pot facile method, from 4,4?,5,5?-tetranitro-2,2?-biimidazole. The crystal structure was determined by X-ray diffraction for the first time. DATNBI crystallized in monoclinic system P2₁/c, with a crystal density of 1.934 g cm^?3 at 293(2) K and 2.019 g cm^?3 at 130(2) K, respectively. Its crystal parameters at 293 K are a = 4.8833(15) Å, b = 6.960(2) Å, c = 6.928(4) Å, α = γ = 90°, β = 93.418(6)°, V = 591.1(3) ?³, Z = 2, μ = 0.178 mm^?1, and F(000) = 348. The thermal stability and non-isothermal kinetics of DATNBI were studied by differential scanning calorimeter (DSC) with heating rates of 5, 10, 15, and 20 K min^?1. The apparent activation energy (E_a) at the first decomposition peak calculated by Kissinger, Ozawa, and Starink equations were 85.50, 89.67, and 86.10 kJ mol^?1, respectively. For the second peak, these were 116.49, 119.82, and 117.45 kJ mol^?1, respectively, with individual pre-exponential factors lnA = 18.40 s^?1 and lnA = 25.11 s^?1. The thermogravimetry-Fourier transform infrared spectroscopy (TG-FTIR) analysis of thermal decomposition products reveals that the main decomposition gas products are H₂O, N₂O, CO₂, and NO₂. Based on the new crystalline densities, the detonation velocity and pressure predicted by EXPLO5 are 9062 m s^?1 and 36.4 GPa, respectively.     

Combined Metabolomic and Quantitative RT-PCR Analyses Revealed the Synthetic Differences of 2-Acetyl-1-pyrroline in Aromatic and Non-Aromatic Vegetable Soybeans

Aroma is an important economic trait of vegetable soybeans, which greatly influences their market value. The 2-acetyl-1-pyrroline (2AP) is considered as an important substance affecting the aroma of plants. Although the 2AP synthesis pathway has been resolved, the differences of the 2AP synthesis in the aromatic and non-aromatic vegetable soybeans are unknown. In this study, a broad targeted metabolome analysis including measurement of metabolites levels and gene expression levels was performed to reveal pathways of aroma formation in the two developmental stages of vegetable soybean grains [35 (S5) and 40 (S6) days after anthesis] of the ‘Zhexian No. 8’ (ZX8, non-aromatic) and ZK1754 (aromatic). The results showed that the differentially accumulated metabolites (DAMs) of the two varieties can be classified into nine main categories including flavonoids, lipids, amino acids and derivatives, saccharides and alcohols, organic acids, nucleotides and derivatives, phenolic acids, alkaloids and vitamin, which mainly contributed to their phenotypic differences. Furthermore, in combination with the 2AP synthesis pathway, the differences of amino acids and derivatives were mainly involved in the 2AP synthesis. Furthermore, 2AP precursors’ analysis revealed that the accumulation of 2AP mainly occurred from 1-pyrroline-5-carboxylate (P5C), not 4-aminobutyraldehyde (GABald). The quantitative RT-PCR showed that the associated synthetic genes were 1-pyrroline-5-carboxylate dehydrogenase (P5CDH), ∆¹-pyrroline-5-carboxylate synthetase (P5CS), proline dehydrogenase (PRODH) and pyrroline-5-carboxylate reductase (P5CR), which further verified the synthetic pathway of 2AP. Furthermore, the betaine aldehyde dehydrogenase 2 (GmBADH2) mutant was not only vital for the occurrence of 2AP, but also for the synthesis of 4-aminobutyric acid (GABA) in vegetable soybean. Therefore, the differences of 2AP accumulation in aromatic and non-aromatic vegetable soybeans have been revealed, and it also provides an important theoretical basis for aromatic vegetable soybean breeding.     

啤酒发酵中温度的测控方法

结合集散控制系统的特点,设计了一种嵌入式啤酒发酵控制系统。该系统采用自主研发的智能化SOC(System on Chip)嵌入式数据终端处理器作为控制终端;通过差动中值定标的方法实现现场高精度检测;使用固定周期预测增量控制方法对啤酒发酵的温度进行控制;采用时间隧道数据处理器处理的方法而使数据处理系统化,提高了系统的稳定性和连贯性;数据终端处理器配置通用串行口,与工控计算机组成局域网实现集散式控制。实践证明,该系统不仅成本低、功能强,而且灵活、可靠。     

塔河油田碳酸盐岩油藏定量化注水提高水驱效率现场应用与研究

塔河油田碳酸盐岩油藏具有埋藏深、非均质性强的特点,主要储集空间以溶孔、溶洞和裂缝为主,裂缝为主要渗流通道。随着油田能量的递减,注水做为补充能量最经济有效的方式得到大力推广。根据物质平衡原理,依托酸压曲线、注水指示曲线、能量指示曲线,对注水进行定量化计算,精细注水,明确注采关系,优化注采参数,推动油田提高水驱效率和采收率。     

二维非稳态晶体生长的理论分析与拉普拉斯逆变换法

对定常速度下二维非稳态晶体生长的数学模型进行了分析,证明了解的唯一性,并运用Laplace逆变换法对该定解问题进行求解,最后给出了一个具体的例子.     

控制熔体浓度三维稳定态方程的精确解

研究了一类关于浓度的三维稳态晶体生长控制方程.这类问题由于带有远场条件,无法按常规方法给出其解析解或数值解.在复数域内利用分离变量法,得到了这类方程的级数形式的解析解,而最后的解是实数形式.结果表明,固液界面前沿浓度是指数震荡衰减的.     

新型外燃旋流热风炉内流动与传热过程数值计算

阐明中小型高炉的风温由1000 ℃左右提高到1250-1300 ℃的主要措施是将煤气与空气双预热;提出应用高速烧嘴和新型外燃旋流热风炉来预热助燃空气,烧单一煤气可以实现高炉1250～1300 ℃高风温.对炉内流动与传热过程进行的数值计算结果表明,在蓄热球床表面没有偏流,气流及温度分布均匀.在中试炉上测量的烟气温度分布与计算结果基本吻合.     

静电场的自作用能

静电场能量We是一个非常重要的基本概念.目前文献大多是从点电荷{qi}系做功来讨论We的.十分明显,由于点电荷的自作用存在发散困难,因而在它的We中并不包含自作用能.进一步把问题推广到分布电荷系统.这时储能可表示为We=1/2∫∫∫vρ(→r') ψ(→r')dv'但对它的理解有不同意见.例如,文献[3]认为,这种情况下"它们不仅包含了电荷之间的相互作用能.同时也包括了电荷系固有能."本文将严格证明:在We公式中静电场的自作用能始终为零.值得提出,自作用能的问题还可引申到哲学层面作深入探讨,如著名美国物理学家费曼(Feynman)为消除电子点模型的发散困难曾经作过很大的努力.文中还提及.在采用We=1/2∫∫∫vρ(→r') ψ(→r')dv',计算储能时必须采用六重积分,否则会产生计算错误.     

Ge-Si二元合金系的热力学

利用作者提出的二元相图数据计算活度的计算机程序CABPD(Calculating Activities from Binary Phase Diagrains),计算得到此体系液相及固相的热力学性质。表明此体系液、固相都呈正偏差,可以表示为:
E_Gm(L)=7125X_SiX_Ge(J/mol)
E_Gm(S)=4808X_SiX_Ge(J/mol)     

常用二元熔盐氯化物相图及其热力学性质的最优化

本文介绍了一种优化处理二元相图及热力学性质的方法。通过系统分析全部所获得的LiCl—KCl,LiCl—SrCl₂,NaCl—SrCl₂,NaCl—CaCl₂,NaCl—BaCl₂,KCl—BaCl₂,CaCl₂—BaCl₂,BaCl₂—SrCl₂等八个二元系热力学性质和相图的数据并进行优化处理,取得了热力学性质和相图自相一致的结果。