不同制备方法的CuC2O4-ZnC2O4·2H2O的热行为和热分解动力学

应用DSC、热重分析技术对共沉淀和机械混合CuC2O4-ZnC2O4·2H2O(摩尔比1∶1)在N2气氛中的热行为、热分解过程和热分解动力学进行了研究,DSC和TG曲线表明,机械混合样品的热分解过程与单独的草酸盐基本一致,共沉淀样品的热分解过程则不同于单独的草酸盐.用KAS的等转化率法求出较为可靠的活化能Ea,用热分析动力学三因子求算的比较法确定了2种样品热分解反应遵循的机理函数f(α),在Ea和f(α)的基础上计算出指前因子A.共沉淀样品中第2步、第3步热分解反应遵循的机理函数分别为R2和A2.机械混合样品中第2步、第3步热分解反应遵循的机理函数分别为2D和A2.     

氯丁橡胶热分解动力学研究

对国产和进口氯丁橡胶(CR)热分解动力学进行研究,结果表明,CR的热降解过程分 3步进行,N2气氛下的明显起始分解温度为 260℃,推得热分解反应级数为一级,热分解反应活化能为 148kJ·mol-1,分解反应的频率因子为 2×10-11.     

三氯化缬氨酸六水合铒配合物的热分解反应动力学

对三氯化缬氨酸六水合铒配合物进行了合成和EDTA滴定、元素分析、红外光谱分析、熔点测定,利用热重、差热分析等方法推测了配合物的热分解机理.配合物的热分解过程分为热分解失水、氨基酸骨架断裂,最终配合物为稀土碱式盐.对配合物第1、第2步热分解反应进行了非等温动力学研究,两步反应的活化能分别为123.42和222.83 kJ·mol-1,指前因子的对数值分别为36.31和41.00,复杂的反应动力学方程同时被确定.     

草酸亚锡热分解反应动力学

以草酸和氧化亚锡为原料,用室温固相一步反应法合成了草酸亚锡,用红外光谱(FTIR)和热重(TG)技术对产物进行了表征.采用差示扫描量热法(DSC)研究了草酸亚锡的热分解过程,通过主曲线法并结合统计方法判定得到草酸亚锡热分解过程的动力学模型函数,求算得到了动力学参数.研究发现,在静态空气气氛中,草酸亚锡热分解产物为氧化亚锡,该分解过程遵循随机成核与核增长模型,积分表达式为g(α)=[-ln(1-(α)]0.627,活化能为101.31kJ/mol,指前因子为3.05×106-s 1.实验结果表明:该方法可以准确、可靠地求算非等温热分解反应的动力学参数.     

GAP热分解机理函数研究

利用TG-DTG热分析手段研究了GAP在空气和氮气中的热分解反应过程,并采用Coats-Redfern法和Achar法求算了GAP热分解反应中的机理函数,确定热分解反应中可能遵循的动力学机理,并得到各步反应中的平均表观活化能E以及指前因子A等动力学参数。     

安乃近的热分解过程和热分解非等温动力学

采用TG-DTG技术研究了安乃近在静态空气气氛中的非等温热分解过程及其动力学,根据TG曲线并结合红外光谱技术确定了热分解过程中的中间产物及最终产物,运用微分法和积分法对热分析数据进行了分析,推断出第1步反应为脱水反应,其动力学方程为dα/dt=Ae-(E)/(RT)(1-α);第2步反应为二级反应,其动力学方程为dα/dt=Ae-(E)/(RT)(1-α)2.     

轻质碳酸钙在氮气气氛中的热分解动力学研究

用热分析技术研究了轻质碳酸钙（PCC）在氮气气氛中热分解过程。结果表明,轻质碳酸钙在氮气气氛中为一步分解反应。用多元非线性回归法对轻质碳酸钙的热分解过程进行了动力学分析,得出最概然机理、活化能、指前因子等动力学三因子。     

氯化钆与L-丙氨酸和甘氨酸三元固态配合物的合成及热化学和非等温热分解动力学研究

合成了氯化钆与L-丙氨酸和甘氨酸的三元固态配合物Gd(Ala)3(Gly)2Cl3·2H2O,用溶解量热法测定了配位反应的反应焓。通过设计一个热化学循环,计算出了配合物的标准生成焓,并用TG-DTG技术研究了配合物的热分解过程。采用微分法中的Achar法和积分法中的Coats-Redfern法对配合物第二步热分解反应进行了非等温动力学研究,推测出了可能的热分解反应机理,求出了反应的表观活化能。     

过氧化二异丙苯在空气中的非等温热分解动力学

采用热重-微分热重(TG-DTG)技术,研究过氧化二异丙苯在动态空气气氛中的热分解过程.运用Starink法,Madhusudanan-Krishnan-Ninan(MKN)法和Achar-Brindley-Sharp-Wendworth(ABSW)法分析非等温动力学数据,推断出过氧化二异丙苯热分解动力学模式为收缩球状R3模型,得到其反应的动力学方程为dα/dt=Aexp(-E/RT)×3(1-α)2/3,热分解反应的活化能E为117.32 kJ.mol-1,活化自由能ΔG≠为123.12 kJ.mol-1,活化焓ΔH≠为113.69 kJ.mol-1,活化熵ΔS≠为-21.41 J.(mol.K)-1.     

聚己内酯热分解机制及其热分解产物

精制后的聚己内酯用三氯甲烷为溶剂制成溶剂膜.以调制式热重分析(TGA)为聚己内酯热裂解的研究方法,并使用核磁共振(NMR)和傅里叶变换红外光谱(FTIR)分析其热裂解后所得的产物.TGA的结果表明,聚己内酯的热裂解过程分为两步,第一步的分解温度为205～295℃,失重率为7.0%;第二步分解温度为311-374℃,失重率为88%.结果同时得到了聚己内酯热分解的活化能、指前因子和速率比等热分解动力学常数,分别为第一步80kJ/mol,5min-1和0.3,第二步分别为146kJ/mol,11min-1和0.47.裂解后的产物经过NMR和FTIR分析,发现不但有高分子的聚已内酯,也有呋喃、取代环丙烷以及不饱和的羧酸等小分子化合物产生.     

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.