H6M4(N2H2)3(M=Al,Ga)簇合物的结构、红外光谱和热力学性质研究

采用自洽场方法(HF)和密度泛函(DFT)的B3LYP方法，在6-31G^*水平下，研究了H6M4(N2H2)3(a—M＝Al，b—M＝Ga)簇合物的几何构型、电子结构、红外光谱及热力学性质．结果表明：N—N键比肼中N—N键长，有进一步裂解的趋势．振动频率计算表明：铝、镓的肼簇合物为基态稳定结构．     

小分子溶剂与液晶高分子相平衡理论研究（I）

从热力学角度研究了小分子溶剂与高分子混合体系的溶液－－液晶相平衡性质。研究发现，高分子链越长，形成液晶的极阴浓度越小；当高边节小于４．２时，体系不可能形成液晶。     

受约高分子PDMS链构型的热力学性质研究

该文采用统计力学的方法,将长链ＰＤＭＳ分子作为一个约束在圆柱体内的小体系进行处理,利用计算机进行模拟ＰＤＭＳ链的动态过程和处理矩连乘,坐标转换,得出受约有限长度高分子链的配方函数表达式。     

基于小世界的JXTA发现机制的改进

针对JXTA对等网络RPV发现机制存在效率低下的问题，提出了一种基于小世界的改进方案。该方案利用Kleinberg的小世界理论，将RPV表分解为本地短链RPV（S）表和长链RPV（L）表，本地短链RPV（S）表可以保证搜索的获得性和可靠性，长链RPV（L）表可以实现快速搜索，同时采用概率置换长链策略构造长链RPV（L）表。研究表明，该方案可以保证JXTA对等网络的平均跳数为0（log^2N）。     

S=1反铁磁海森堡链的热力学性质

应用二阶格式函数方法。研究了双二次相互作用项对反铁磁海森堡链激发谱和热力学性质的影响，目前用二阶格林函数方法研究此类问题尚未见报导。研究发现随着双二次相互作用的增强，反铁磁海森堡链的Ｈａｌｄａｎｅ能隙将降低，内能增加，比热曲线的峰质左移，并且存在一个双二次相互作用临界值ａｃ，当ａ〉ａｃ时，将得不到体系的激发谱。     

恒定组成封闭体系的热力学关系式

用数学分析方法研究总结了恒定组成封闭体系的热力学函数之间的关系式，为较好地研究体系热力学参数之间的关系奠定基础，也为物理化学教学提供一定的思考问题的方法和理论。     

水下圆柱体带空泡轴向绕流研究(英文)

研究了水下圆柱体带空泡轴向绕流问题.用数值方法研究了不同长细比圆柱体水下运动产生空泡的形态及圆柱体水下带空泡绕流的阻力特性,圆柱体绕流空泡形态以及阻力系数数值计算结果与试验对比,符合较好.圆柱体长细比对空泡形态影响可以忽略.随长细比增大:空化数较高时,阻力系数先减小后增大;空化数较小时,其阻力系数基本保持不变.小空化数条件下,给定长细比,空化数越小,阻力系数越小.     

OP—7／醇／正庚烷／HC1体系形成微乳液的势力学性质研究

研究了OP－7／醇／正庚烷／HCl体系形成微乳液的热力学函数，考察不同碳链长度的醇对微乳液形成和稳定性的影响。     

水(1)—N、N—二甲基甲酰胺(2)二元体系等压汽液平衡数据的测定及关联

采用仿制的改良型DVorak-Boublik平衡鉴测定了水—N、N—二甲基甲酰胺(DMF)体系的400mmHg下的汽液平衡数据。对所测数据用经验方法进行了热力学一致性的校验,分别用Vanlaar;Margules;Wilson和UNIφAC方程进行了热力学关联和比较,提出了所研究体系的最佳方程和配偶参数,编制了计算活度系数、泡点和汽相组成的计算机程序。为设计现代聚丙烯睛干法纺丝新工艺的溶剂D.M.F的回收所用减压精馏装     

结构—SRK状态方程参数关系的研究

以一阶分子连接性指数＾１Ｘ为分布变量，研究了链烷烃ＳＲＫ状态方程参数与＾１Ｘ的关系。结果表明这些参数与＾１Ｘ有着良好的相关性，这些关系可用于石油馏分中链烷烃组成的预测和与链烷烃有关的连续热力学计算、研究及状态方程参数估值。     

Markedness and its Interpretation in Language Use

Language markedness is a common phenomenon in languages, and is reflected from hearing, vision and sense, i.e. the variation in the three aspects such as phonology, morphology and semantics. This paper focuses on the interpretation of markedness in language use following the three perspectives, i.e. pragmatic interpretation, psychological interpretation and cognitive interpretation, with an aim to define the function of markedness.     

Features of Women's language

Language is a means of verbal communication. People use language to communicate with each other. In the society, no two speakers are exactly alike in the way of speaking. Some differences are due to age, gender, statue and personality. Above all, gender is one of the obvious reasons. The writer of this paper tries to describe the features of women＇s language from these perspectives： pronunciation, intonation, diction, subjects, grammar and discourse. From the discussion of the features of women＇s language, more attention should be paid to language use in social context. What＇s more, the linguistic phenomena in a speaking community can be understood more thoroughly.     

An Analysis of Catherine＇s Character——Wuthering Heights

Wuthering Heights, Emily Bronte＇s only novel, was published in December of 1847 under the pseudonym Ellis Bell. The book did not gain immediate success, but it is now thought one of the finest novels in the English language. Catherine is the key character of this masterpiece, because everybody and everything center on her though she had a short life. We can understand this masterpiece better if we know Catherine well.     

Lower Paleozoic oil relationships within Williston Basin, Canada

The Williston Basin is a significant petroleum province, containing oil production zones that include the Middle Cambrian to Lower Ordovician, Upper Ordovician, Middle Devonian, Upper Devonian and Mississippian and within the Jurassic and Cretaceous. The oils of the Williston Basin exhibit a wide range of geochemical characteristics defined as "oil families", although the geochemical signature of the Cambrian Deadwood Formation and Lower Ordovician Winnipeg reservoired oils does not match any "oil family". Despite their close stratigraphic proximity, it is evident that the oils of the Lower Palaeozoic within the Williston Basin are distinct. This suggests the presence of a new "oil family" within the Williston Basin. Diagnostic geochemical signatures occur in the gasoline range chromatograms, within saturate fraction gas chromatograms and biomarker fingerprints. However, some of the established criteria and cross-plots that are currently used to segregate oils into distinct genetic families within the basin do not always meet with success, particularly when applied to the Lower Palaeozoic oils of the Deadwood and Winnipeg Formation.     

低渗透非均质砂岩油藏启动压力梯度研究

理论推导与室内实验相结合,建立了低渗透非均质砂岩油藏启动压力梯度确定方法。首先借助油藏流场与电场相似的原理,推导了非均质砂岩油藏启动压力梯度计算公式。其次基于稳定流实验方法,建立了非均质砂岩油藏启动压力梯度测试方法。结果表明:低渗透非均质砂岩油藏的启动压力梯度确定遵循两个等效原则。平面非均质油藏的启动压力梯度等于各级渗透率段的启动压力梯度关于长度的加权平均;纵向非均质油藏的启动压力梯度等于各渗透率层的启动压力梯度关于渗透率与渗流面积乘积的加权平均。研究成果可用于有效指导低渗透非均质砂岩油藏的合理井距确定,促进该类油藏的高效开发。     

On Tragic Consciousness In The Works By Ernest Hemingway

As an American modern novelist who were famous in the literary world, Hemingway was not a person who always followed the trend but a sharp observer. At the same time, he was a tragedy maestro, he paid great attention on existence, fate and end-result. The dramatis personae's tragedy of his works was an extreme limit by all means tragedy on the meaning of fearless challenge that failed. The beauty of tragedy was not produced on the destruction of life, but now this kind of value was in the impact activity. They performed for the reader about the tragedy on challenging for the limit and the death.     

Achieving Unusual States of Matter Under High Pressure

正The periodicity of the elements and the non-reactivity of the inner-shell electrons are two related principles of chemistry,rooted in the atomic shell structure.Within compounds,Group I elements,for example,invariably assume the+1 oxidation state,and their chemical properties differ completely from those of the p-block elements.These general rules govern our understanding of chemical structures and reactions.Using first principles calcula-     

Exchange-Correlation and Electronic Excitation Energies from Pairing Matrix Fluctuations

We have developed an adiabatic connection to formulate the ground-state exchange-correlation energy in terms of pairing matrix linear fluctuations.This formulation of the exchange-correlation energy opens a new channel for density functional approximations based on the many-body perturbation theory.We illustrate the potential of such approaches with an approximation based on the particle-particle Random Phase Approximation(pp-RPA).This re-     

Density Functional Theory for the Response of Periodic Systems to Electric Fields Based on the Vector Potential Approach

正The electronic and nuclear(structural/vibrational)response of 1D-3D nanoscale systems to electric fields gives rise to a host of optical,mechanical,spectral,etc.properties that are of high theoretical and applied interest.Due to the computational difficulty of treating such large systems it is convenient to model them as infinite and periodic(at least,in first approximation).The fundamental theoretical/computational problem in doing so is that     

Call for Papers

<正>"The Journal of Shanghai Normal University:Mathematics"is published by Shanghai Normal University as regular issues of The Journal of Shanghai Normal University each year from 2014 in English.The editors-in-chief of the issues are professors Yuhao Cong and Maoan Han.The Journal of Shanghai Normal University was started in 1958 with