胺甲基化改性的苯并咪唑对盐酸中N80钢的缓蚀作用

采用失重法、电化学测试研究了1-(1-苯胺基-3-苯基-2-丙烯基)-2,3-二氢苯并咪唑(APPB)在5.0 mol·L-1盐酸介质中对N80钢的缓蚀行为,并用分子动力学方法模拟了缓蚀剂与Fe(001)表面的吸附行为。失重法结果表明:APPB缓蚀剂对盐酸介质中的N80钢有明显的缓蚀作用;在0.03~0.20 mmol·L-1浓度范围内,加入缓蚀剂APPB后,提高了腐蚀反应的活化能,而且APPB与N80钢表面的吸附行为遵循Langmuir吸附等温式。分子动力学模拟结果表明,APPB与Fe(001)表面的吸附能为663.51 k J/mol,远大于水分子与Fe(001)表面的吸附能。     

十八烷基三甲基氯化铵在硫酸介质中对A3钢的缓蚀性能研究

采用静态失重法、动电位极化曲线法和交流阻抗法研究了十八烷基三甲基氯化铵(STAC)在硫酸介质中对A3钢的缓蚀行为。探讨了其对A3钢的缓蚀作用机理;并用扫描电子显微镜(SEM)观察腐蚀表面的形貌。结果表明,不同温度下,缓蚀率随STAC浓度增大而增大;在浓度为10 mg/L时,失重缓蚀率达80%以上。极化曲线试验结果显示STAC是一种以控制阳极反应为主的混合型缓蚀剂;且静态失重法、动电位极化曲线法和交流阻抗法试验结果相一致。STAC在A3钢表面的吸附服从校正后的Langmiur吸附等温模型,是一种化学吸附作用的自发吸附;且吸附是一个放热的熵减小的过程。扫描电镜实验结果表明,STAC能有效抑制硫酸对A3钢的腐蚀。     

喹诺酮类药物在油田酸化介质中的缓蚀性能研究

用失重法、极化曲线和交流阻抗等方法研究了3种喹诺酮类药品对不同浓度、温度的盐酸、土酸溶液中N80钢的缓蚀性能及其作用机理。结果表明,3种喹诺酮类药品均具有较好的缓蚀性能,环丙沙星、诺氟沙星、左氧氟沙星在盐酸(土酸)介质中对N80钢的缓蚀效率分别可以达到85.93%(84.41%)、85.21%(83.53%)、83.73%(81.70%),其中环丙沙星缓蚀效果最好,三者均为阳极抑制及物理吸附为主的混合抑制型缓蚀剂。在添加了喹诺酮类药物缓蚀剂的酸化介质中,3种钢的耐蚀性依次为J55>L80>N80;3种喹诺酮类药物缓蚀剂在酸化介质中缓蚀效率依次为环丙沙星>诺氟沙星>左氧氟沙星。     

N-烃基-α-氨基苯亚甲基膦酸在不同pH值条件下对A_3钢的缓蚀性能研究

研究了以苯甲醛、水杨醛系列化合物合成的10 种含烃基取代的α-氨基苯亚甲基膦酸(NAABP)对A3 钢在不同pH值条件下的缓蚀性能,试验结果表明:这种取代的含芳环的膦酸在碱性介质中对A3 钢是有效的缓蚀剂,这种抑制腐蚀的过程实际上是阴极钝化过程,NAABP是一种阴极型的缓蚀剂.     

盐酸溶液中dmit(Bu~n)_2对Q235钢的缓蚀性能研究

合成了有机硫化合物4,5-二(正丁硫基)-1,3-二硫杂环戊二烯-2-硫酮(dmit(Bun)2),用元素分析和红外光谱进行了表征,采用电化学极化曲线法研究了dmit(Bun)2在1.0 mol·L-1HCl溶液中对Q235钢的缓蚀作用,并考察了dmit(Bun)2浓度、HCl浓度、腐蚀体系温度、缓蚀液放置时间对缓蚀性能的影响。研究结果表明:在30℃时,dmit(Bun)2浓度为80 mg·L-1的1.0 mol·L-1HCl溶液中,缓蚀剂对Q235钢的缓蚀率达到了99.01%,dmit(Bun)2为混合型缓蚀剂。吸附拟合表明:dmit(Bun)2在Q235钢表面的吸附符合Langmuir吸附等温式,属于自发进行的化学吸附。dmit(Bun)2的缓蚀率随dmit(Bun)2浓度增大而升高,随腐蚀体系温度升高而降低,随HCl浓度增大而逐渐降低,随静置时间的延长、dmit(Bun)2的缓蚀性变化不大。     

盐酸溶液中乌鲁托品对钢的缓蚀性能

用电化学阻抗谱(EIS)和开路电位测量法(OCPM)研究了在1 mol·L-1盐酸溶液中乌鲁托品(UP)与45#钢的界面吸附及缓蚀行为.EIS表明:随着缓蚀剂UP浓度的增大,吸附膜逐渐形成,电荷传递电阻增大.在缓蚀剂浓度为0.01 mol·L-1时,缓蚀效率出现最大值;大于该浓度时,缓蚀效率下降.OCPM表明:加缓蚀剂UP前后体系自腐蚀电位的改变与温度的倒数呈线性关系.UP对阳极过程有抑制作用,是阳极型缓蚀剂;吸附热为-35 kJ/mol,吸附形式为物理吸附.     

醋酸溶液中十二烷基磺酸钠对冷轧钢的缓蚀作用

利用失重法和动电位极化曲线法及电化学阻抗谱法研究了阴离子表面活性剂十二烷基磺酸钠(SDS)对冷轧钢在0.1 mol/L HAc溶液中的缓蚀作用.结果表明:SDS在0.1 mol/L醋酸溶液中能对冷轧钢起到较好的缓蚀作用,缓蚀率随着缓蚀剂浓度的增加而增大,但随温度的增加而下降,最大缓蚀率可达94%.塔菲尔极化曲线表明SDS为抑制阴极为主型缓蚀剂.缓蚀剂在钢表面的吸附是自发、放热过程且符合Langmuir吸附方程.SDS在钢表面发生物理吸附的同时伴随化学吸附的发生,吸附为熵增过程.     

盐酸溶液中溶菌酶对Q235钢的缓蚀作用

运用失重法、动电位极化曲线法、交流阻抗法研究了溶菌酶在盐酸溶液中对Q235钢的缓蚀作用和吸附行为,并用扫描电子显微镜(SEM)观察腐蚀表面的形貌.结果表明,溶菌酶是一种缓蚀效果显著的混合型缓蚀剂,缓蚀效率受温度影响较小,吸附行为属于自发的单分子层化学吸附,符合Langmuir等温吸附式.     

α-氨基酸癸胺衍生物缓蚀性能的理论评价

采用量子化学计算和分子动力学模拟相结合的方法,在液相条件下对2-氨基-N-癸烷-3-(4-羟基苯基)丙酸(A)、2-氨基-N-癸烷-乙酰胺(B)、2-氨基-N-癸烷-丙酸(C)和2-氨基-N-癸烷-3-甲基-丁酰胺(D)4种缓蚀剂分子抑制盐酸对低碳钢腐蚀的性能进行理论分析,考察其前线轨道能量、全局反应活性参数、Fukui指数、重原子对前线轨道的贡献,计算缓蚀剂分子与金属Fe(001)表面的吸附能。结果表明:缓蚀剂分子A具有最强的反应活性;缓蚀剂分子B拥有较高的局部反应活性,C次之,D最小;缓蚀剂分子与金属表面的结合力由强到弱依序为A、B、C、D;4种缓蚀剂分子的缓蚀性能由高到低依次为A、B、C、D,缓蚀性能与实验数据相吻合。     

抗CO_2腐蚀咪唑啉衍生物缓蚀性能的密度泛函理论

采用失重法测得4种咪唑啉衍生物(A～D)在CO_2饱和的3 % NaCl溶液中的缓蚀效率,利用量子化学密度泛函理论(DFT)中的B3LYP方法,在6-31G*基组水平上对它们的分子结构与缓蚀性能的关系进行理论研究,并使用Fukui指数对分子的反应活性位进行分析.结果表明:咪唑啉类缓蚀剂分子与金属界面作用时,主要是咪唑环和亲水支链上的极性基团起作用;4种缓蚀剂在金属表面的吸附为化学吸附,且缓蚀效率与分子的最高占据轨道能量(E_(HOMO))和最低空轨道能量(E_(LUMO))的相关性较好.     

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.     

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.     

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).     

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.