新型三氮唑化合物在H_2SO_4中对Q235钢的缓蚀作用

钢材酸洗时添加缓蚀剂是一种有效、经济的防腐蚀方法,研究缓蚀剂对其作用机理,发展和完善缓蚀剂理论,已成为研究热点.通过失重试验、动电位极化曲线、交流阻抗谱测试及扫描电镜(SEM)方法研究了新型三氮唑化合物1-(4-氟基苯)-3-[4-(1,2,4-三氮唑-1-甲氧基)-苯]-丙烯缓蚀剂(FTPP)在0.5mol/,L H2SO4溶液中对Q235钢的缓蚀作用.结果表明:FTPP对Q235钢的缓蚀效果与自身浓度有关,在0.5mol/L H2SO4中当其达到10-3 mol/,L时,缓蚀率高达92.8%,能同时抑制腐蚀的阴、阳极反应过程,它是一种混合型缓蚀剂;Q235钢的阻抗值随FTPP浓度增加而增大,FTPP在钢表面的吸附符合Langmuir等温式.     

Comparative Analyses of Medicinal Chemistry and Cheminformatics Filters with Accessible Implementation in Konstanz Information Miner (KNIME)

High-throughput virtual screening (HTVS) is, in conjunction with rapid advances in computer hardware, becoming a staple in drug design research campaigns and cheminformatics. In this context, virtual compound library design becomes crucial as it generally constitutes the first step where quality filtered databases are essential for the efficient downstream research. Therefore, multiple filters for compound library design were devised and reported in the scientific literature. We collected the most common filters in medicinal chemistry (PAINS, REOS, Aggregators, van de Waterbeemd, Oprea, Fichert, Ghose, Mozzicconacci, Muegge, Egan, Murcko, Veber, Ro3, Ro4, and Ro5) to facilitate their open access use and compared them. Then, we implemented these filters in the open platform Konstanz Information Miner (KNIME) as a freely accessible and simple workflow compatible with small or large compound databases for the benefit of the readers and for the help in the early drug design steps.     

Twelve-Nitrogen-Atom Cyclic Structure Stabilized by 3d-Element Atoms: Quantum Chemical Modeling

Using various versions of density functional theory (DFT), DFT M06/TZVP, DFT B3PW91/TZVP, DFT OPBE/TZVP, and, partially, the MP2 method, the possibility of the existence of 3d-element (M) compounds with nitrogen having unusual M: nitrogen ratio 1:12, unknown for these elements at the present, was shown. Structural parameter data were presented. It was shown that all MN4 groupings have tetragonal-pyramidal structure. It was noted that the bond lengths formed by nitrogen atoms and an M atom were equal to each other only in the case of M = Ti, V, Cr and Co, whereas for other Ms, they were slightly different; moreover, the bond angles formed by nitrogen atoms and an M atom were equal to 90.0°, or practically did not differ from this value. Thermodynamic parameters, NBO analysis data and HOMO/LUMO images for this compound were also presented. Good agreement between the calculated data obtained using the above three quantum chemical methods was also noted.     

凯氏定氮仪在复混肥料总氮含量测定中的运用

我国是一个农业大国。农业的发展是国民经济和社会发展的重要因素。复混肥料在农业中的运用也日益广泛。文章研究的凯氏定氮仪法的检测方法与国标方法GB/T8572-2001的原理相同。与国标法比较,总氮含量的绝对误差在0.01%～0.29%之间,极差在0.07%～0.18%之间,检测准确度和精密度都符合国家标准的要求。此方法操作简便快速高效、安全可靠,效果令人满意。     

基于随机森林回归的清防垢加药量预测方法

复合驱由于强碱化学剂的注入易造成严重的结垢现象,而预测清防垢加药量是制定科学的清防垢方案的关键.为了获得一种具有较强实用价值和较高预测精度的复合驱清防垢加药量的预测方法,该文将随机森林回归算法应用到复合驱清防垢加药量预测.首先,分析并处理影响清防垢加药量的20维特征,利用随机森林回归的特征重要性评估功能对影响加药量的众...     

2%CrMoNiWV高低压复合转子材料的研究

试验研究了2%CrMoNiWV高低压复合转子材料。试验件在950℃奥氏体化,高压区模拟直径1350mm,模拟喷雾冷速为2.5℃/min,回火温度为660～690℃;低压区模拟直径2500mm,模拟喷水冷速为3℃/min,回火温度为630～660℃。结果表明,综合力学性能达到了目标要求。     

聚醚固体电解质锂电池放电性能研究

利用氧亚甲基连接的聚氧乙烯-聚氧丙烯多嵌段共聚物或氧亚甲基连接的聚氧乙烯多嵌段共聚物与高氯酸锂的络合物作电池的电解质,锂片作负极,几种含钒的化合物作正极,组装了全固态二次锂电池.研究了不同正极材料、不同电解质和不同温度对电池短路放电性能的影响以及电池的重复短路放电性能.研究表明,正极材料V_6O_(13)的性能优于Na_(1+x)V_3O_8;电解质(PEO)_n·LiClO_4的性能优于(PEO-PPO)_n·LiClO_4,这与它们的电导率分别为3.2×10~(-3)S·cm~(-1)和2.2×10~(-3)S·cm~(-1)是一致的.     

铝复合变质处理对M_2铸造高速钢的影响

Ｍ２铸造高速钢加铝复合变质处理后，可减小Ｗ，Ｍｏ元素偏析，加大Ｃｒ元素偏析，改善铸态与热处理后组织中共晶碳化物的形态和分布，提高机械性能。     

双闭环复合控制在轮胎硫化机中的应用

以硫化过程为研究对象,提出了一种分别控制扰动和系统参数变化的新型复合控制方法,并用遗传算法对控制参数进行了优化。通过对其在Matlab/Simulink中进行仿真,与模型参考自适应控制相比较,结果表明该控制方案具有更优良的鲁棒性和可靠性,控制方案简单且可实现在线整定,便于在轮胎企业推广应用。     

Effect of mixing sequence on the properties of carbon black and silica filled rubber

Abstract

The mixing sequence is of great importance when silane coupling agents are employed for improvement of reinforcement and tyre performances. Y-sequence mixing has the potential of making it possible to produce different compounds effectively by combining one silica master-batch with various carbon black masterbatches, provided that the compound's properties are not affected negatively compared to conventional mixing processes. We have, therefore, investigated the Y-sequence mixing in terms of various compound properties such as Mooney value, modulus, tensile strength, elongation at break, hardness and visco-elasticity, and compared the results with those obtained using multistep sequence mixing and the all-in-one approach. The results have showed that the compound properties from the Y-sequence mixing weresimilar to thoseobtained by the multistep sequence,and superior to the all-in-one mixing sequence. It is thus concluded that the Y-sequence mixing has potential as a more economical alternative to currently employed mixing processes.