甲酸乙酯和乙醇汽液相平衡的估算

用修正的UNIFAC模型对常压下甲酸乙酯和乙醇的汽液平衡进行估算,得到理论共沸组成为0.935(甲酸乙酯摩尔分数).与UNIFAC模型计算结果相比,修正的UNIFAC模型更接近实验值.常压下甲酸乙酯和乙醇存在共沸点,共沸温度为327.38K,不能用普通精馏进行分离.     

对叔丁基苯酚/苯酚等六个二元有机物系固液平衡的测定

本文利用差示扫描量热计,测定了对叔丁基苯酚/苯酚、对叔丁基苯酚/2,6二叔丁基苯酚、对叔丁基苯酚/2,4,6三叔丁基苯酚、邻/对位氯甲苯、邻/对位香兰素、邻/对位二氯苯等六个二元有机物系固液平衡关系。测定结果表明,除对叔丁基苯酚/苯酚体系以外,其余均为简单低共熔系统。实验数据按下列方程回归整理■式中T_m~*为纯物质的熔点。x_m~*为x在T_m~*下的摩尔分率。     

四氯化碳+环己酮相合熔点化合物及其固液平衡的热力学计算

对四氯化碳 环己酮固液平衡体系,在223 K到233 K区间,使用四参量GE方程和G ibbs-Duhem方程,计算了8个温度的两组元活度系数和GE方程,在相合熔点233.85 K,x2=0.5,GE=1 405.25 J.mol-1,SE=-64.48 J.mol-1K-1,HE=16 483.98 J.mol-1.该体系相合熔点化合物的离解平衡ΔrGmθ=R(1.65164T-0.007 87T2)J.mol-1,ΔrHmθ=3 415.34 J.mol-1,ΔrSmθ=13.675±0.003 J.mol-1K-1.     

邻、间、对二甲苯+醇体系的表面张力和黏度

用悬滴法测量了298.15 K时,邻、间、对二甲苯 乙醇共3个二元体系的表面张力,计算了3个体系的表面张力偏差值;用旋转法测量了298.15 K时,邻、间、对二甲苯分别与乙醇、异丙醇、叔丁醇组合成的9个二元体系的黏度,并计算了9个体系的黏度偏差值.     

水-环己烷二元体系的热力学研究

用全自动低温绝热量热计测定了水、环己烷以及水和环己烷二元体系(0.700H2O 0.300C6H12和0.300H2O 0.700C6H12)在不同温度的摩尔热容(Cp,m),建立了Cp,m与T的函数关系.结果表明,水和环己烷二元体系共沸混合物在182～199 K温区发生固-固相变,在260～287 K温区发生固-液相变,并获得了相应的相变焓和相变熵.计算了以298.15 K为基准的混合物的热力学函数.     

大型汽液平衡数据库VLEDB的设计与实现

以dBASE Ⅲ为基础,在微机上建立了文题数据库。该数据库存储了1796个二元物系的5289张二元汽液平衡数据表和进行相平衡计算时所需的基础数据,UNIFAC、ASOG基团参数,汽液平衡数据达30万,是目前国内收集汽液平衡数据最多的数据库。VLEDB利用关系模型建库,合理分配库存数据,降低了数据库的冗余度。VLEDB具有自动分解物质分子结构简式中UNIFAC、ASOG基团及较强的数据检索和估算功能。     

邻、间、对二甲苯与八甲基环四硅氧烷的过量摩尔体积

在298.15 K时用振动管密度计在全浓度范围内测量了邻、间、对二甲苯分别与八甲基环四硅氧烷(D4)组成的3个二元液体混合物的密度,并计算了此3个二元体系的过量摩尔体积VE.3个二元体系的VE均为负值,大小顺序为:间二甲苯＞对二甲苯＞邻二甲苯.     

9个二元有机物系统相图和它们共晶点的理论计算

利用改进的准正规模型,根据热力学理论获得了决定二元液-固相平衡的曲线方程.对9个具有低共晶点的二元有机物系统,计算了它们的相图和低共晶点(T0,xB0)的数值,结果与实验数据符合的很好.     

间甲酚-对甲酚二元溶液在Y型分子筛上的吸附性能

本文研究了间甲酚-对甲酚二元溶液在经过ⅠA、ⅡA族金属阳离子交换的Y型分子筛上的吸附性能。发现LiY分子筛优先吸附间甲酚,KY型分子筛优先吸附对甲酚,而NaY分子筛对间甲酚和对甲酚几乎没有选择性吸附作用。混合液中对甲酚在Y型分子筛上的吸附选择性随着分子筛上二价金属阳离子周期的增加而减小。在50—100℃,间甲酚-对甲酚二元溶液在KY-Ⅱ分子筛上的吸附方程为:方程计算值的相对误差约为10%,符合一般工程计算要求。     

邻苯二甲酸二异癸酯毛细管柱的制备及其对甲酚二甲酚异构体的分离性能

采用自制的邻苯二甲酸二异癸酯(DIIDP)毛细管柱对甲酚、二甲酚异构体进行分离和分析。考察多种脱活剂和复配固定液对DIIDP毛细管柱制备的影响,并研究DIIDP含量和柱温对酚类异构体分离性能的影响。结果表明:采用邻苯二甲酸乙二醇聚酯脱活剂成功研制出0.25 mm×30 m×0.2μm DIIDP色谱柱,在120℃时,对甲酚、二甲酚异构体的分离效果较好,每米理论板数为2 800(邻甲酚),最高使用温度为130℃。复配分析表明:采用SE-54固定液与质量分数20%DIIDP的二氯甲烷溶液复配制备的毛细管柱分离效果最好,在柱温为130℃时,能将甲酚、二甲酚异构体完全分离,每米理论板数可达3 600以上(邻甲酚),最高使用温度可达到140~150℃。     

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.