氢能--新型车用燃料的替代产品

结合能源利用的现状和环境污染的状况，分析了研究与发展石油替代产品——氢能的必要性，并对新型车用燃料的开发利用与前景作了简要的论述。     

Multistage Extractive Reaction for Hydrogen Peroxide Production by Anthraquinone Process

The extractive reaction process of oxygen-working solution-water three-phase system for the production of hydrogen peroxide by the anthraquinone method was investigated in a sieve plate column of 50 mm in internal diameter. The oxidation reaction of anthrahydroquinone in the working solution with oxygen and the extraction of hydrogen peroxide from the working solution into aqueous phase occurred simultaneously in the countercurrent mode. The agitating effect caused by gaseous phase made the droplets of the dispersed phase become smaller, thus, increasing the liquid-liquid interfacial contact areas and resulting in the improvement of the mass transfer velocity. Results showed that the gas-agitation had a beneficial effect on the extraction of hydrogen peroxide from the working solution into the aqueous phase： the concentration of hydrogen peroxide in the raffinate decreased with the increase of the gaseous superficial velocities： and the concentration of H2O2 in the raffinate increased with the increase of the dispersed phase superficial velocity at the same superficial velocity of the gaseous phase. In the G-L-L extractive reaction process, with the increase of the gaseous superficial velocities, both the conversion of the anthrahydroquinone oxidation and the extraction efficiency of hydrogen peroxide first increased significantly, then increased gradually.     

在均匀强磁场中氢原子能级的精细结构

在均匀强磁场中氢原子存在多种相互作用。在不能忽略哈密顿量中的B^2项作用时，应用简并态微扰理论、角动量和球谐函数的性质，得到计算均匀强磁场中氢原子能级的方法。并由此计算了氢原子n=2态的能级精细结构。     

浅析几个结构效应对有机物酸碱性的影响

本文从场效应、立体效应、氢键效应、芳香效应、杂化效应及统计效应等六个方面,分析和讨论了有机化合物本身的结构,对其酸碱性的影响.     

甲醇水蒸汽重整制氢过程的热力学分析

针对甲醇水蒸汽重整制氢过程,计算了反应体系中可能包含的四个主要反应的化学平衡常数及其随温度的变化：并以蒸汽重整和逆水汽变换反应为独立反应,研究了温度和水醇比对平衡状态的影响。其结果对实验研究选择合适的反应温度和水醇比提供了理论依据,也为催化剂的开发提供了研究方向。     

有机化合物极谱催化氢波研究进展

通过50多篇文献简要地综述了有机化合物极谱催化氢波的历史进程，其过去与现在的发展状况。并由此展望了催化氢波的发展前景。     

有机铂[PtCl(NCN-OH)]的密度泛函理论研究

本文采用密度泛函方法B3LYP/LanL2D研究了有机铂配合物[PtCl(NCN-OH)]及其双体的几何结构和电子性质.[PtCl(NCN-OH)]的基态结构与X-射线衍射结构良好吻合.集居数分析表明,酚羟基氢在所有氢原子中具有最高正电荷,是形成O-H----Cl-Pt分子间氢键的关键.计算双体形成焓△Hf°=47.3 km·mol-1约是其氢键键能红外估计值的两倍.用Ni或Pd替代Pt,配合物结构和HOMO-LUMO能隙宽度发生微小变化,但导致金属中心周围电荷分布的显著不同.     

硼对金属间化合物Ni3Fe氢气诱发环境氢脆的影响

In this paper the tensile properties of both ordered and disordered Ni-24Fe and Ni-24Fe-0.03%B （wt%） alloys in gaseous hydrogen was investigated. The result shows that the ductility of the disordered Ni3Fe is significantly larger than that of ordered material in gaseous hydrogen. However, the ductility of ordered Ni3Fe doped with 0.03%B is nearly the same as that of disordered one indicating the obvious suppressing effect of boron on the H2-induced embrittlement. Based on the segregation behavior of boron in Ni3A1, it is proposed that the suppressing effect of boron in Ni3Fe on the H2-induced embrittlement is attributed to the segregation of boron on grain boundaries, thereby reducing the hydrogen diffusivity along the grain boundaries.     

Effects of doping Fe and Al on microstructure and electrochemical characteristics of Mg-based hydrogen storage alloys

The Mg-based hydrogen storage alloys Mg2Ni, Mg2Ni0.7Fe0.3 and Mgl.7Alo.3Ni were successfully synthesized by a two-step process （sintering and ball milling）. The crystal structure and microstructure were examined by X-ray diffraction, Scanning Electron Microscope and Malvern particle size analyzer. New phase appears in the tripe alloys doped with A1 and Fe, and the particle size ranges from 3μm to 5 μm. The electrochemical performance studies indicate that the partial substitution of AI for Mg, and Fe for Ni significantly improve the cycle life, reversibility of hydrogen absorption and desorption. The diffusion process is the control step in the electrode reaction of hydrogen storage alloys.     

非均匀电场中氢原子的能级和波函数

研究氢原子第二和第三激发态（n=3和4）在正交非均匀电场中的能级和波函数．讨论了能级分裂,绘制了零级近似下氢原子的电子概率角分布图．