水／NaDEHP／正庚烷微乳体系中水结构的FT—IR研究

运用傅立叶变换红外光谱（ＦＴ－ＩＲ）对水／ＮａＤＥＨＰ／正同乳体系中水的微结构进行了研究。结果表明：随着体系中加水量的增大，水分子Ｏ－Ｈ伸缩振动红外吸收峰的频率由３３８５ｃｍ＾－１向高频在移动至３４１７ｃｍ＾－１（与ＡＯＴ形成的乳体系的变化趋势相反）。进一步地３０５０ｃｍ＾－１至３７５０ｃｍ＾－１范围内的水Ｏ－Ｈ伸缩振动吸收峰进行曲线拟合，得到４个子峰，说明微乳体系中的水分子存在有４种不同的配位环     

氮化碳薄膜的红外吸收光谱（FTIR）研究

测量了采用ＲＦ－ＣＶＤ方法制备的氮化碳薄膜的ＦＴＩＲ曲线，膜层中的Ｃ－Ｎ键、石墨相、Ｃ＝Ｎ键和Ｃ≡Ｎ键的红外吸收峰波数分别为１２５０ｃｍ＾－１，１５７６ｃｍ＾－１，１６８７ｃｍ＾－１和２０５４ｃｍ＾－１。采用技术措施避免石墨相析出的氮化碳薄膜，其红外吸收谱只出现了Ｃ－Ｎ键的伸缩振动吸收峰（９４８ｃｍ＾－１），薄膜中的其它功能基团的存在对Ｃ－Ｎ键的振动频率有一定的影响。     

CO为探针分子的原位FT—IR技术研究Pd／HM表面金属的分散态

以ＣＯ探针分子的ＩＲ研究表明,在Ｐｄ／ＨＭ上,钯还原前后具有不同对ＣＯ的线式吸附态。还原前分别在２１５６ｃｍ＾－１和２０４５ｃｍ＾－１处有两个ＩＲ吸收峰;而还原后在２０００ｃｍ＾－１附近出现几个重叠在一起的ＩＲ吸收峰,２１５６ｃｍ＾－１处小峰几乎消失,这是因为Ｐｄ＾２＋ＰＵＨＣＧＩＰ ＤＲ ＸＨ ＦＨＮ Ｒ     

聚吡咯苯甲烯及其铜螯合物的红外光谱表征

用红外光谱研究吡咯、苯甲醛在常温和酸催化条件下缩聚合成的新型大π共轭高分子，红外光谱信息表明，醛基（２７３４、１７０１ｃｍ－１）已经消失，出现了与苯环共轭的α－碳双键取代基（１５７６ｃｍ－１）和吡咯环的－Ｃ＝Ｎ－键（１４９１ｃｍ－１）．这意味着产物为聚吡咯苯甲烯．吡咯Ｎ－Ｈ（３４２３ｃｍ－１的消失和Ｃ－Ｈ面内变形振动频率的特征位移，启示了含铜产物为聚吡咯苯甲烯一铜螯合物．     

碱土金属邻苯二甲酸氢盐的振动光谱

测定了碱土金属邻苯二甲酸氢盐的晶体结构，Ｃａ（Ｃ８Ｈ５Ｏ４）２．２Ｈ２Ｏ为正交晶系，属Ｃ２ｖ＾７－Ｐｍｎ２１（Ｎｏ．３１）空间群，晶胞参数为α＝２．７４８２，ｂ＝０．９４２５，ｃ＝０．６９２６ｎｍ，Ｚ＝４；Ｓｒ（Ｃ８Ｈ５Ｏ４）２．２Ｈ２Ｏ是正交晶系，属Ｃ２ｖ＾１＾２－Ｃｍｃ２１（Ｎｏ．３６）空间群，晶胞参数为α＝２．８４６５，ｂ＝０．８７９，ｃ＝０．６９８０ｎｍ，Ｚ＝４，Ｂａ（Ｃ８Ｈ５Ｏ４）２．Ｈ     

高温热解聚硅烷制备SiC薄膜初探

用组合成的可溶性聚硅烷１７１０Ａ作涂膜材料,进行不同温度的真空热解或高纯氮下热解实验。通过ＩＲ谱和ＸＰＳ谱分析,在７９０－８１０ｃｍ＾－１和１２７０ｃｍ＾－１红外吸收特征峰分别对应Ｓｉ－ＣＨ３摇摆振动和伸缩振动吸收峰,ＸＰ－Ｓｉ谱给出Ｓｉ（２Ｐ）结合能力为１０１．６ｅＶ,ＣＩＳ为２８４．３ｅＶ,证明有α－ＳｉＣ：Ｈ生成。     

复合增聚型铁铝无机高分子絮凝剂PAFCS的红外光谱研究

利用煤矸石及硫铁矿渣制备出了一种新型无机高分子絮凝剂聚硫酸氯化铁铝（ＰＡＦＣＳ），研究了ＰＡＦＣＳ的红外（ＩＲ）光谱结构特征．ＩＲ谱分析表明ＰＡＦＣＳ是Ｆｅ（Ⅲ）十Ａｌ（Ⅲ）与羟基（－ＯＨ）以双羟桥为主结构连接的较复杂的高聚物．其ＩＲ图谱峰形与α－Ｆｅ２Ｏ３，α－ＦｅＯＯＨ及Ｆｅ（ＯＨ）３等明显不同．比较了ＰＡＦＣＳ，ＰＡＣ，ＰＦＳ，ＰＡＣＳ的光谱特征，表明ＰＡＦＣＳ与已知文献报道的絮凝剂ＰＡＣ，ＰＦＳ，ＰＡＣＳ有类似性，即由３１００～３６００ｃｍ（－１）处的ＯＨ伸缩振动及１６００～１６５０ｃｍ（－１）Ｈ－Ｏ－Ｈ弯曲振动的畸变，表明有结构羟基存在；在１１００ｃｍ（－１）附近Ｍ－ＯＨ－Ｍ伸缩振动峰为中等强度峰，证明有铁羟基或铝羟基以及聚合态存在．     

ZnCl2与POM的合成和结构

ＺｎＣｌ２与ＰＯＭ生成１：２加成物「Ｚｎ（ＰＯＭ）２Ｃｌ２」，Ｃ１２Ｈ１２Ｃｌ２Ｎ４Ｏ６Ｚｎ，晶体必三科晶系，空间群为Ｐ１，晶胞系数为ａ＝１１．７５５（１１）×１０＾－１０ｍ，ｂ＝１２．３５７４（７）×１０＾－１０ｍ，ｃ＝６．５９２（４）×１０＾－１０ｍ，ａ＝１０２。７３２（５）°，β＝９２．０７４（６）°，γ＝１１０．１２４（６０°，Ｖ＝８７６．２×１０＾－３０ｍ，ＭＲ＝４４４．５３，ｚ＝２，ｄ     

负载型水相膦铑配合物催化剂上丙烯氢甲酰化制丁醛

用连续流动加压微反－色谱装置评价了负载型水溶性膦铑催化剂对丙烯氢甲酰化制丁醛的反应活性，结果表明，催化剂活性与体系与中水含量密切相关，适量的水可使催化剂活性明显提高，原位红外光谱考究结果显示，当催化剂吸附ＣＯ时在２０４０，２０１２，１９０１ｃｍ＾－１等处出现一系列可归属于可逆吸附ＣＯ物种的伸缩振动带；通和原料气丙烯／ＣＯ／Ｈ２时，很快可观察到－１７１４ｃｍ＾－１附近的醛基吸收峰。     

多聚配合物[Cd（β—al）Cl2]的合成与晶体结构

多聚配合物「Ｃｄ（β－ａｌａ）Ｃｌ２」用ＣｄＣｋｌ２与β－丙氨酸（β－ａｌａ，Ｈ３Ｎ＾＿ＣＨ２ＣＨ２ＣＯ＾－２）在水溶液反应制得，并用单昌结构分析法测定其结构。该配合物的化学式为Ｃ３Ｈ７ＣｄＣｌ２ＮＯ２，属正交晶纱，空间群为Ｐｎｍａ（Ｎｏ．６２），ａ＝６９４．４（１），ｂ＝７９６．３（２），ｃ＝１２９３．１（３）ｐｍ，Ｖ＝０．７１５０（６０ｎｍ＾３，Ｚ＝４，ｍＲ＝２７２．４０，ｄＣ＝２．５３０ｍＧ     

Characterization of Ordovician carbonate reservoirs, southeastern Saskatchewan, Canada

The discovery of the prolific Ordovician Red River reservoirs in 1995 in southeastern Saskatchewan was the catalyst for extensive exploration activity which resulted in the discovery of more than 15 new Red River pools. The best yields of Red River production to date have been from dolomite reservoirs. Understanding the processes of dolomitization is, therefore, crucial for the prediction of the connectivity, spatial distribution and heterogeneity of dolomite reservoirs.The Red River reservoirs in the Midale area consist of 3～4 thin dolomitized zones, with a total thickness of about 20 m, which occur at the top of the Yeoman Formation. Two types of replacement dolomite were recognized in the Red River reservoir: dolomitized burrow infills and dolomitized host matrix. The spatial distribution of dolomite suggests that burrowing organisms played an important role in facilitating the fluid flow in the backfilled sediments. This resulted in penecontemporaneous dolomitization of burrow infills by normal seawater. The dolomite in the host matrix is interpreted as having occurred at shallow burial by evaporitic seawater during precipitation of Lake Almar anhydrite that immediately overlies the Yeoman Formation. However, the low δ18O values of dolomited burrow infills (-5.9‰～ -7.8‰, PDB) and matrix dolomites (-6.6‰～ -8.1‰, avg. -7.4‰ PDB) compared to the estimated values for the late Ordovician marine dolomite could be attributed to modification and alteration of dolomite at higher temperatures during deeper burial, which could also be responsible for its 87Sr/86Sr ratios (0.7084～0.7088) that are higher than suggested for the late Ordovician seawaters (0.7078～0.7080). The trace amounts of saddle dolomite cement in the Red River carbonates are probably related to "cannibalization" of earlier replacement dolomite during the chemical compaction.     

A computer generator for randomly layered structures

AcomputergeneratorforrandomlylayeredstructuresYUJia shun1,2,HEZhen hua2(1.TheInstituteofGeologicalandNuclearSciences,NewZealand;2.StateKeyLaboratoryofOilandGasReservoirGeologyandExploitation,ChengduUniversityofTechnology,China)Abstract:Analgorithmisintrod…     

海南岛地体及其毗邻陆缘晚中生代—新生代古地磁研究和构造演化

本文叙述了对海南岛及其毗邻大陆边缘白垩纪到第四纪地层岩石进行古地磁研究的全部工作过程。通过分析岩石中剩余磁矢量的磁偏角及磁倾角的变化,提出海南岛白垩纪以来经历的构造演化模式如下:早期伴随顺时针旋转而向南迁移,后期伴随逆时针转动并向北运移。联系该地区及邻区的地质、地球物理资料,对海南岛上述的构造地体运动提出以下认识:北部湾内早期有一拉张作用,主要是该作用使湾内地壳显著伸长减薄,形成北部湾盆地。从而导致了海南岛的早期构造运动,而海南岛后期的构造运动则主要是受南海海底扩张的影响。海南地体运动规律的阐明对于了解北部湾油气盆地的形成演化有重要的理论和实际意义。     

Exciton Seebeck in Molecular Systems

Various applications relevant to the exciton dynamics,such as the organic solar cell,the large-area organic light-emitting diodes and the thermoelectricity,are operating under temperature gradient.The potential abnormal behavior of the exicton dynamics driven by the temperature difference may affect the efficiency and performance of the corresponding devices.In the above situations,the exciton dynamics under temperature difference is mixed with     

Achieving Unusual States of Matter Under High Pressure

The elongation method,originally proposed by Imamura was further developed for many years in our group.As a method towards O(N)with high efficiency and high accuracy for any dimensional systems.This treatment designed for one-dimensional(ID)polymers is now available for three-dimensional(3D)systems,but geometry optimization is now possible only for 1D-systems.As an approach toward post-Hartree-Fock,it was also extended to     

《Chinese Science Bulletin》SUBJECT INDEX TO VOLUME 59(2014)

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An on-line scaling method for improving scalability of a database cluster

The explosive growth of the Internet and database applications has driven database to be more scalable and available, and able to support on-line scaling without interrupting service. To support more client's queries without downtime and degrading the response time, more nodes have to be scaled up while the database is running. This paper presents the overview of scalable and available database that satisfies the above characteristics. And we propose a novel on-line scaling method. Our method improves the existing on-line scaling method for fast response time and higher throughputs. Our proposed method reduces unnecessary network use, i.e. , we decrease the number of data copy by reusing the backup data. Also, our on-line scaling operation can be processed parallel by selecting adequate nodes as new node. Our performance study shows that our method results in significant reduction in data copy time.     

An improved R-tree based on childnode''s probability

R-Tree is a good structure for spatial searching. But in this indexing structure,either the sequence of nodes in the same level or sequence of traveling these nodes when queries are made is random. Since the possibility that the object appears in different MBR which have the same parents node is different, if we make the subnode who has the most possibility be traveled first, the time cost will be decreased in most of the cases. In some case, the possibility of a point belong to a rectangle will shows direct proportion with the size of the rectangle. But this conclusion is based on an assumption that the objects are symmetrically distributing in the area and this assumption is not always coming into existence. Now we found a more direct parameter to scale the possibility and made a little change on the structure of R-tree, to increase the possibility of founding the satisfying answer in the front sub trees. We names this structure probability based arranged R-tree (PBAR-tree).     

An Index mechanism for multi-scale view in spatial databases

There are numerous geometric objects stored in the spatial databases. An importance function in a spatial database is that users can browse the geometric objects as a map efficiently. Thus the spatial database should display the geometric objects users concern about swiftly onto the display window. This process includes two operations:retrieve data from database and then draw them onto screen. Accordingly, to improve the efficiency, we should try to reduce time of both retrieving object and displaying them. The former can be achieved with the aid of spatial index such as R-tree, the latter require to simplify the objects. Simplification means that objects are shown with sufficient but not with unnecessary detail which depend on the scale of browse. So the major problem is how to retrieve data at different detail level efficiently. This paper introduces the implementation of a multi-scale index in the spatial database SISP (Spatial Information Shared Platform) which is generalized from R-tree. The difference between the generalization and the R-tree lies on two facets: One is that every node and geometric object in the generalization is assigned with a importance value which denote the importance of them, and every vertex in the objects are assigned with a importance value,too. The importance value can be use to decide which data should be retrieve from disk in a query. The other difference is that geometric objects in the generalization are divided into one or more sub-blocks, and vertexes are total ordered by their importance value. With the help of the generalized R-tree, one can easily retrieve data at different detail levels.Some experiments are performed on real-life data to evaluate the performance of solutions that separately use normal spatial index and multi-scale spatial index. The results show that the solution using multi-scale index in SISP is satisfying.     

Integrating GIS Web services based on mediating architecture

The geographic information service is enabled by the advancements in general Web service technology and the focused efforts of the OGC in defining XML-based Web GIS service. Based on these models, this paper addresses the issue of services chaining,the process of combining or pipelining results from several interoperable GIS Web Services to create a customized solution. This paper presents a mediated chaining architecture in which a specific service takes responsibility for performing the process that describes a service chain. We designed the Spatial Information Process Language (SIPL) for dynamic modeling and describing the service chain, also a prototype of the Spatial Information Process Execution Engine (SIPEE) is implemented for executing processes written in SIPL. Discussion of measures to improve the functionality and performance of such system will be included.