Recent results on hydrogen and hydration in biology studied by neutron macromolecular crystallography

Neutron diffraction provides an experimental method of directly locating hydrogen atoms in proteins, a technique complimentary to ultra-high-resolution [1, 2] X-ray diffraction. Three different types of neutron diffractometers for biological macromolecules have been constructed in Japan, France and the United States, and they have been used to determine the crystal structures of proteins up to resolution limits of 1.5-2.5 A. Results relating to hydrogen positions and hydration patterns in proteins have been obtained from these studies. Examples include the geometrical details of hydrogen bonds, H/D exchange in proteins and oligonucleotides, the role of hydrogen atoms in enzymatic activity and thermostability, and the dynamical behavior of hydration structures, all of which have been extracted from these structural results and reviewed. Other techniques, such as the growth of large single crystals, the preparation of fully deuterated proteins, the use of cryogenic techniques, and a data base of hydrogen and hydration in proteins, will be described.     

煤的热解研究：Ⅰ.气氛和温度对热解的影响

常压、温度为６００￣１２００℃条件下,东胜烟煤分别在氢和氮气氛中热解的实验研究表明：煤在氢气氛中热解与在氮气氛相比产气率更高,焦油质量较好,同时获得了较高的煤转化率,热解温度强烈地影响热解产物的组成和煤转化率,随温度的升高煤化率提高,热解气产率增加,ＣＨ４,ＣＯ和ＣＯ２的产率上升,焦油产率降低,但温度对Ｃ２＾＋和Ｈ２Ｏ的产率影响不大。     

单原子Co修饰TiO2(101)面的结构和析氢性能的第一性原理研究

通过基于密度泛函理论（DFT）+U的第一性原理方法研究了单原子Co在TiO₂（101）面的掺杂位置和方式、几何结构和整体能量以及掺杂后产物的制氢反应机制,得到了稳定且易出现的单原子修饰结构,即单原子Co吸附在4个O组成的表面空隙的中心位,记为Co/TiO₂（101）。进一步对Co/TiO₂（101）的析氢反应过程和性能进行研究,确定了当且仅当TiO₂（101）面完成表面羟基化反应后,H原子全覆盖的TiO₂（101）表面才能进行后续的析氢反应;此时单原子Co是唯一的反应位点,整体的制氢反应自由能ΔG_H*比Co（111）面更加趋近于0,显示出其具有远优于金属Co的催化性能。此外,Co和TiO₂间的电荷转移和相互作用使TiO₂带隙出现新的掺杂能级,可带来作为光催化基材的TiO₂光吸收性能的改善。     

改进型DSC的并网锁相环直流偏移消除方法

针对在SRF-PLL的控制内环中使用延迟信号消除(DSC)算子,放缓了动态行为问题,提出了一种用于电网同步的三相PLL中的快速直流偏移抑制方法.通过使用改进型DSC运算器(MDSC)方法,改进了传统的基于DSC的PLL的动态性能.该方法能够有效地克服系统带宽给直流偏移消除带来的影响,并使系统响应速度得到提升.另外基于MDSC的PLL在相位跳变和频率阶跃变化的调整时间也很小.所提方法的有效性通过仿真实验结果得到证实.     

火焰原子吸收分光光度法测定地表水中铜含量的不确定度评定

根据GB 7475—87《水质铜、锌、铅、镉的测定火焰原子吸收分光光度法》建立地表水样测定的数学模型,并根据JJF 1059.1—2012《测量不确定度评定与表示》的要求,计算测量过程中的不确定度分量,最终得出扩展不确定度.经检测计算,该地表水样品中的铜含量为1.53 mg/L,其扩展不确定度为0.036 mg/L,包含因子k=2,地表水样品中铜含量的测量结果应报告为(1.53±0.036) mg/L, k=2.结果表明,火焰原子吸收分光光度法测定地表水样中铜含量的不确定度主要来源于标准曲线拟合、标准溶液配制和样品重复测量.     

氮氧化物储存还原反应中还原时间的控制方法

使用H_2作为还原剂,采用NO_x存储还原循环的试验方法,在石英反应器上研究了还原时间、反应温度和还原剂体积分数对NO_x存储还原(NSR)催化剂Pt/Ba/Ce/γ-Al_2O_3存储还原特性的影响.结果表明:存在一个最佳还原时间,在此处可取得最高的循环转化率;最佳还原时间与反应温度和还原剂体积分数相关,提高反应温度或者降低还原剂体积分数,最佳还原时间延长.     

Key technologies for polymer electrolyte membrane fuel cell systems fueled impure hydrogen

Hydrogen energy and polymer electrolyte membrane (PEM) fuel cells become concerned issues in recent years. Nevertheless, the construction of hydrogen refueling infrastructure and hydrogen storage and transportation constrains the commercial development of fuel cells. In this review, sources, production, storage, transportation, and purification methods of hydrogen are extensively reviewed and compared. The advantages of utilizing industrial by-product hydrogen and steam reforming gas in PEM fuel cell systems are analyzed. Using industrial wasted hydrogen can significantly reduce the cost of hydrogen. Also, it is indicated that the onboard hydrogen generation by steam methanol reforming can solve the difficulties of efficient storage and transportation of gaseous hydrogen, which means that methanol has great potential to be a convenient carrier of hydrogen. The effects of impurities contained in the reformate gas are generally introduced. After the methanol steam reforming and pretreatment purification processes, the reformate gas can be fed to PEM fuel cells. Thus, a fuel cell system integrated with onboard hydrogen production and impure hydrogen treatment subsystems is introduced, and key technologies therein for pretreatment purification and in-situ poisoning mitigation methods are reviewed. Finally, suggestions are proposed for further studies.     

阻燃聚丙烯/蒙脱土纳米复合材料的燃烧性能

采用X射线衍射和透射电镜对所制备的聚丙烯/蒙脱土（PP/MMT）插层纳米复合材料的结构进行表征;通过热分析、锥形量热、氧指数、垂直燃烧测试对其热解和燃烧性能进行了研究.热分析表明蒙脱土片层在热解过程中显示出能量阻隔作用,提高了材料的热稳定性和成炭量;蒙脱土片层与膨胀型阻燃剂之间的协效作用使得纳米复合材料热释放速率、CO与CO2释放量及比消光面积明显降低;将不同阻燃级别的材料制成电视机壳进行全尺寸锥形量热仪实验表明,V-0级别的阻燃聚丙烯材料的火灾危险性最小.     

柴油深度加氢脱硫过程中硫化物转化规律的研究

采用气相色谱-脉冲火焰光度计检测器(GC-PFPD)对催化柴油中的硫化物及其形态分布进行了分析,发现催化柴油中硫化物的类型主要为苯并噻吩类(BTs)和二苯并噻吩类(DBTs)。研究表明,苯并噻吩类硫化物比较容易被脱除,而当催化柴油中总硫含量在500×10-6时其主要硫化物形态为二苯并噻吩类;不同烷基取代的DBTs的加氢脱硫(HDS)转化率不同,其被加氢脱除由易到难顺序为:C1DBT→C2DBT→C3DBT;而单个硫化物被加氢脱除由易到难顺序为:DBT→4-MDBT→2,4,6-TMDBT→4,6-DMDBT。实验发现,加氢柴油中的硫化氢可以被氧化成元素硫,从而影响总硫分析结果。采用GC-PFPD可以有效地对最低硫含量在(5~20)×10-6的超低硫柴油中硫化物以及元素硫进行分析鉴定,为加氢催化剂和加氢工艺的筛选提供必要的依据。     

过氧化氢氧化苯酚制备苯二酚的研究进展

综述了生产邻苯二酚和对苯二酚的传统工艺,着重介绍了国内外以过氧化氢为氧化剂氧化苯酚生产苯二酚的技术和所用催化剂的研究进展.