应用全谱直读光谱仪测定原油中铁和钙元素的含量

提出了利用电感耦合等离子发射光谱ICP -AES法测定原油中铁、钙元素含量的方法 ,考察了雾化压力、RF功率等对被测元素分析线强度的影响 ,确定了仪器的最佳使用条件。试验表明 ,该方法简便、快速、精密度和准确度均令人满意 ,能满足实际应用的要求     

Ab initio study of the effects of Ag/Mn doping on the electronic structure of LiFePO_4

Based on density functional theory (DFT) of the first-principle for the cathode materials of lithium ion battery, the electronic structures of Li(Fe1-xMex)PO4 (Me = Ag/Mn, x = 0―0.40) are calculated by plane wave pseudo-potential method using Cambridge serial total energy package (CASTEP) program. The calculated results show that the Fermi level of mixed atoms Fe1-xAgx moves into its conduction bands (CBs) due to the Ag doping. The Li(Fe1-xAgx)PO4 system displays the periodic direct semiconductor characteristic with the increase of Ag-doped concentration. However, for Fe1-xMnx mixed atoms, the Fermi level is pined at the bottom of conduction bands (CBs), which is ascribed to the interaction be-tween Mn(3d) electrons and Fe(4s) electrons. The intensity of the partial density of states (PDOS) near the bottom of CBs becomes stronger with the increase of Mn-doped concentration. The Fermi energy of the Li(Fe1-xMnx)PO4 reaches maximum at x = 0.25, which is consistent with the experimental value of x = 0.20. The whole conduction property of Mn-doped LiFePO4 is superior to that of Ag-doped LiFePO4 cathode material, but the structural stability is reverse.     

Theoretical study on the lithium bond interaction of furan homologues C_4H_4Y (Y=O, S) with LiCH_3 via DFT and MP2

The optimizations geometries and interaction energy corrected by BSSE of the complexes between C4H4Y (Y=O, S) and CH3Li have been calculated at the B3LYP/6-311 G** and MP2/6-311 G** levels. Three complexes were obtained. Abnormally, the calculations showed that all the C10—Li14 bond lengths increased obviously but the blue-shift of C10—Li14 stretching frequency occurred after formed complexes. The calculated binding energy with basis set super-position error (BSSE) and zero-point vibrational energy corrections of complexes I―III is ?45.757, ?35.700 and ?39.107 kJ·mol?1, respectively. The analyses on the combining interaction with the atom-in-molecules theory (AIM) also showed that a relatively strong lithium bond interaction presented in furan homologues C4H4Y---LiCH3 systems. Natural bond orbital theory (NBO) analysis has been performed, and the results revealed that the com- plex I is formed with n-σ type lithium bond interaction between C4H4O and LiCH3, complex II is formed with π-s type lithium bond interaction between C4H4O and LiCH3, and complex III is formed with π-s and n-s type lithium bond interactions between C4H4S and LiCH3, respectively.     

电动机受潮的几种处理方法

介绍了实际生产中电机干燥的常用方法及其适用范围,并对现场操作时的注意事项做了简要说明。     

新指示反应催化光度法测定痕量铁的研究

研究了在溴化十六烷基吡啶存在下，以邻菲啉为活化剂，铁催化抗坏血酸还原对羟基苯基重氮氨基偶氯苯的褪色反应及其动力学条件，探讨了反应机理，建立了高选择性测定痕量铁的新方法．本法检出限为９５×１０－１１ｇ／ｍｌ．线性范围为０－１０μｇ／２５ｍｌ．用于发样、食品样中痕量铁的测定，结果满意．     

稀土高碳当量灰口铸铁组织与性能的研究

本文研究了利用稀土合金改善高碳当量灰口铸铁质量的可能性,稀土合金对高碳当 量灰口铸铁组织和性能影响的规律,以及稀土夹杂物在铸铁各相中分布的规律．发现了 稀土合金加入量与铸铁的机械性能之间明显的对应关系——“双峰值效应”。对稀土高 碳当量灰口铸铁的某些高温机械、物理、化学性能进行了研究。结果表明稀土合金加入 到高碳当量灰口铸铁中以后能净化铁水,改善组织,并提高其性能．     

NTA强化Fe(Ⅱ)/PMS体系降解橙黄G的效能与机制

针对二价铁/过一硫酸盐(Fe(Ⅱ)/PMS)体系存在近中性pH条件下氧化效能低的问题,采用氨基三乙酸(NTA)强化Fe(Ⅱ)/PMS体系降解橙黄G(OG),研究NTA/Fe(Ⅱ)/PMS体系中OG降解的效能和机制,考察NTA,Fe(Ⅱ),PMS等反应物浓度和溶液pH值对OG降解效能的影响.实验结果表明：当pH=6.5时,NTA可显著强化Fe(Ⅱ)/PMS体系的氧化效能,OG的去除率从11.7%提高到92.5%,NTA的加入提高了溶液中有效活化剂的浓度,促进PMS分解生成活性物质;NTA/Fe(Ⅱ)/PMS体系中主导的活性物质为Fe(Ⅳ)和SO^-₄·,二者对体系氧化效能的贡献分别为72.0%和28.0%;增加NTA,Fe(Ⅱ)和PMS的浓度有助于OG的降解,但当三者浓度分别超过1.5,1.5,2.0 mmol·L^-1时,出现抑制现象;引入NTA既提高了Fe(Ⅱ)/PMS体系在近中性pH条件下的氧化能力,又拓宽了该体系的pH应用范围.     

高岭土负载绿色合成纳米铁的制备及其对孔雀石绿和铅离子的去除性能研究

红背桂树叶提取物绿色合成铁纳米颗粒（Fe NPs）在水环境修复领域具有很高的应用潜力。但由于Fe NPs存在团聚、易氧化等不稳定因素,在去除污染物时抑制了反应活性。为了解决这一问题,使用一步法制备了高岭土负载Fe NPs （K-Fe NPs）,并系统地检测了其对孔雀石绿和Pb²⁺混合污染物的去除反应活性。采用X射线衍射（XRD）和傅里叶红外光谱（FTIR）对Fe NPs、高岭土和K-Fe NPs进行表征和分析。3种材料对比实验结果表明,K-Fe NPs对单独的孔雀石绿和Pb²⁺的去除效率（99.10%和93.41%）优于Fe NPs（93.67%和85.33%）和高岭土（32.54%和12.50%）。此外,K-Fe NPs经过4次重复循环对孔雀石绿和Pb²⁺的去除率仍分别为74.02%和55.48%。结果表明,K-Fe NPs在染料和重金属离子复合污染修复领域具有一定应用前景。     

回流充气法处理中,高量含铁地下水的研究

本文介绍一种深井回流充气工艺,它兼具充氧和除铁综合性能的新型工艺形式,能改善含铁地下水的过滤性能.在此基础上提出了深井回流充气稳定期的概念,建立了深井回流充气系统中氧量的平衡关系.通过正交试验,提出了处理中、高量含铁地下水的推荐工艺流程和工艺参数.采用χ—射线衍射方法测试了井内铁泥和成熟滤料表面滤膜的成分和形态,分析了"充气"和"过滤》两过程中的除铁机理.     

2-Methoxybenzoyl phosphate: a new substrate for continuous fluorimetric and spectrophotometric acyl phosphatase assays

A new aromatic acyl phosphate, 2-methoxybenzoyl phosphate, has been synthesized. The compound shows an intrinsic fluorescence; it displays an intense emission band at 390 nm upon excitation in the near UV region. This band practically disappears after hydrolysis of the product. On the other hand, the product displays differences in the near UV absorption spectra measured before and after hydrolysis. The at 301 nm is 2720 M^–1 cm^–1, a value that is 4.3-fold higher than that of benzoyl phosphate (the usual substrate for acylphosphatase assay) at 283 nm. The main kinetic parameters of three different acylphosphatase molecular forms (the muscular isoenzyme and two subtypes of the organ common isoenzyme) were determined using both benzoyl phosphate and 2-methoxybenzoyl phosphate as substrates, and then compared. These kinetic data and the UV absorption and fluorescence properties of 2-methoxybenzoyl phosphate sugest that this compound has better substrate features than benzoyl phosphate, and can be used for both high sensitivity continuous fluorimetric and UV absorption spectrophotometric assays of acylphosphatase.