金属材料中微量氢和氧的分析

叙述了惰性气氛熔化法测定金属材料中微量氢和氧的条件和方法。着重研究影响分析限的空白因素及降低空白的方法和分析限，制定出了Ｔｉ，Ｚｒ，Ｈｆ，Ｔａ，Ｎｂ，Ｗ，Ｍｏ，Ａｌ，Ｃｕ等及其合金中微量氢和氧的分析方法。     

Fe替代Co对AB5型贮氢合金循环稳定性的影响

用铸造及快淬的方法制备了稀土基AB5型Mm（NiMnSiAl）4．3Co0.6-xFex（x=0，0．1，0．2，0．3，0．4，0．5，0．6）贮氢合金，用XRD。TEM及SEM观测了铸态及快淬态的微观结构，测试了合金在铸态及快淬态下的电化学循环稳定性。研究了Fe替代Co对铸态及快淬态贮氢合金微观结构及循环稳定性的影响。研究结果表明，Fe替代Co对铸态及快淬态合金的相结构没有明显影响，但对合金的循环稳定性产生显著影响。Fe替代Co能不同程度地改善铸态及快淬态合金的循环稳定性，但对快淬态合金循环寿命的改善更加显著，导致这一结果的主要原因是Fe替代Co使快淬态合金的微观组织显著细化。     

ATOMISTIC SIMULATIONS FOR Ni/Al INTERMETALLICS

ＡＴＯＭＩＳＴＩＣＳＩＭＵＬＡＴＩＯＮＳＦＯＲＮｉ／ＡｌＩＮＴＥＲＭＥＴＡＬＬＩＣＳＢＡＳＫＥＳＭ．Ｉ．（ＳａｎｄｉａＮａｔｉｏｎａｌＬａｂｏｒａｔｏｒｉｅｓ，Ｌｉｖｅｒｍｏｒｅ，Ｃａｌｉｆｏｒｍｉａ）Ａｂｓｔｒａｃｔ：ＡｌａｒｇｅｎｕｍｂｅｒｏｆＥ...     

形态对钯-氢体系热力学性质的影响

基于实验测定海绵Pd颗粒在278K-323K范围内吸放H2，D2的P-C-T曲线．结合文献给出的其它形态的Pd吸放氢结果进行系统比较分析．探讨了形态对钯-氢体系热力学性质的宏观影响和微观本质。在室温附近，氢的饱和固溶度与坪压随Pd的粒度减小而增加；Pd的形态或粒度对氢的饱和固溶度和吸氧坪压的影响程度刚随温度升高而减小，而且坪压之间的差别在温度较高时不再明显甚至消失。吸氘坪压差别大，解吸坪压差别小。Pd—H体系中α→β的相变热焓、热熵（绝计值)随粒度减小而减小，单晶Pd相应热力学函数最小。海绵Pd颗粒中的压力迟滞效应最明显．材料本底缺陷密度决定不同形态Pd-H体系的压力迟滞效应的大小。     

A modified embedded-atom method interatomic potential for the Fe–H system

A modified embedded-atom method (MEAM) interatomic potential for the Fe–H binary system has been developed using previously developed MEAM potentials of Fe and H. The potential parameters were determined by fitting to experimental data on the dilute heat of solution of hydrogen in body-centered cubic (bcc) and face-centered cubic (fcc) Fe, the vacancy–hydrogen binding energy in bcc Fe, and to a first-principles calculation for the lattice parameter and bulk modulus of a hypothetical NaCl-type FeH. The potential accurately reproduces the known physical properties of hydrogen as an interstitial solute element in bcc and fcc Fe. The applicability of the potential to atomistic approaches for investigating interactions between hydrogen atoms and other defects such as vacancies, dislocations and grain boundaries, and also for investigating the effects of hydrogen on various deformation and mechanical behaviors of iron is demonstrated.     

氢能——我国未来的清洁能源

首先介绍了氢能的诸多优点,例如资源丰富、来源多样性、可再生性和可储存性等,特别指出氢的可储存性使其具有和电、热不同的能源载体的用途。进而就我国能源资源情况、能源安全、环境要求以及经济可持续发展的角度说明我国发展氢能的必要性。说明发展氢能燃料电池汽车、分散供电、供热都将是我国经济持续发展的新的增长点。当前,各国制定氢能发展规划,加大发展氢能的力度,出现氢能国际化的苗头。对此,作者建议应根据我国国情特点,制定我国的氢能发展计划和目标,同时,积极参与氢能国际化活动,为我国的可持续发展争取条件。     

Evaluation of oxidative stability of canola oils by headspace analysis

Lipid oxidation is a major factor affecting flavor quality and shelf life of vegetable oils. Oxidative stability is therefore an important criterion by which oils are judged for usefulness in various food applications. In this study a method based on headspace analysis was developed to evaluate relative oxidative stability of canola oils. The method does not require the use of chemicals, involves minimal sample preparation, and can be performed on a relatively small sample size in comparison with traditional wet chemical methods. Canola oils freshly extracted in the laboratory from different seed samples were subjected to accelerated oxidation and analyzed for PV by standard methods and headspace volatiles by solid phase microextraction/GC-MS. Forward stepwise regression analysis of the data revealed a relationship between PV and headspace concentration of the volatile lipid oxidation products hexanal and trans,trans-2,4-heptadienal. The PV calculated using this formula correlated (R ²=0.73) with those measured by conventional methods. Presented in part at the 96th Annual Meeting of the AOCS, 1–4 May 2005, Salt Lake City, UT.     

Catalytic oxidation of hydrogen sulphide on activated carbons

Activated carbon is a suitable adsorbent for removal of hydrogen sulphide from natural, synthesis or other product gases. The process depends predominantly on physical adsorption, though catalytic oxidation is also involved. During catalytic oxidation the H₂S is converted in the presence of oxygen to elemental sulphur, which is adsorbed onto the internal surface of the activated carbon, thus leading to a sulphur load of up to 120% by weight. The oxidation rate depends on the partial pressure of both reactants, H₂S and O₂ and is largely controlled by the characteristics of the activated carbon. The activity of the catalyst can be improved by impregnating the activated carbon with promoters such as iron and iodine. The regeneration of spent carbon is currently carried out using hot gas desorption methods at temperatures around 450 °C.     

On the role of conserved proline residues in the structure and function of Clostridium pasteurianum 2[4Fe-4S] ferredoxin

The widespread occurrence of Pro residues adjacent to Cys ligandsin the sequences of [4Fe-4S] electron transfer proteins hasnot yet found a functional basis. The two such Pro of Clostridiumpasteurianum 2[4Fe-4S] ferredoxin have been probed by site-directedmutagenesis. Any one of them, but not both simultaneously, canbe substituted without impairing the proper folding of the protein.The reduction potentials of the ferredoxin variants fall ina narrow range of <20 mV above the potential of the nativeprotein. The biological activities with C.pasteurianum hydrogenaseand pyruvate-ferredoxin oxidoreductase do not change significantly,except when Lys replaces Pro. In these cases, the data suggestthat the two clusters of 2[4Fe-4S] ferredoxin may not alwaysbe equivalent in the interaction with the redox partners. Destabilizationof the structure has been observed as the consequence of theProl9 or Pro48 substitutions. Using 2-D NMR, this effect hasbeen associated with perturbations of both the hydrogen bondnetwork and one amino acid side chain around the [4Fe-4S] clusters.Thus, the conserved Pro found in the binding motif of [4Fe-4S]clusters in proteins strongly stabilizes the active site butdoes not play an essential role in the mechanism of electrontransfer.