四苯硼酸铷在水及直链一元醇中的缔合热力学函数

利用四苯硼酸铷（ＲｂＢＰｈ４）在纯水及直链一元醇中的溶解度数据，计算了ＲｂＢＰｈ４在纯水及直链一元醇中缔合常数、活度系数及缔合度．将缔合常数与实验温度线性回归求得ＲｂＢＰｈ４在纯水及醇溶剂中的缔合热力学函数．应用Ｂｏｒｎ静电相互作用理论对缔合热力学函数的变化规律进行讨论．     

水溶液中L-胱氨酸与氯化钠相互作用的热力学参数

在283．15～333．15K（间隔10K）下，用光度法测定了L－胱氨酸（L－Cystine）在纯水和NaCl水溶液中的溶解度．计算了NaCl-L－Cystine-H2O体系中L－Cys－tine的活度系数及盐效应常数ks，讨论了Nacl－L－Cystine相互作用的热力学参数，结果表明：ks＜0，gEN＜0，hEN＜0，sEN＜0．应用静电相互作用解释了这些参数及其随温度的变化规律．     

头孢噻肟钠在水-异丙醇中的液固平衡测量与关联

为考察头孢噻肟钠结晶过程的晶型转化现象以及提供基础热力学数据，采用激光测示法测定了278．15K到308．15K之间B晶型头孢噻肟钠在异丙醇-水二元溶剂体系（溶剂组成：异丙醇摩尔分数为0．05—0．68）中的溶解度．在异丙醇-水二元溶剂中B晶型头孢噻肟钠的溶解度随温度升高而增加，随溶剂组成中异丙醇含量提高而下降，实验数据采用半经验方程进行关联，拟合结果与实验数据吻合良好．所测定的溶解度数据与关联模型可以作为基础热力学数据和模型在生产实践中应用．     

Gd-Ni二元相图计算

采用CALPHAD技术优化计算了Gd－Ni二元相图．液相用Redlich－Kister多项式次规则溶液模型描述，端际固溶体β－Gd，α－Gd，α－Ni分别处理为纯组元bccGd，hcpGd，fccNi．采用热力学评估了如下9个定比化合物：Gd3Ni（1006．39K，包晶分解），Gd3Ni2（941．07K，包晶分解），GdNi（1553．15K，同成分熔化），GdNi2（1280．10K，包晶分解），GdNi3（137．99K，包晶分解），Gd2Ni7（1474．28K，包晶分解），GdNi4（1544．44K，包晶分解），GdNi5（1753．15K，同成分熔化）和Gd2Ni17（1553．82K，包晶分解）；热力学计算了3个共晶反应：Gd3Ni－Gd3Ni2（904．97K，31．53％Ni，原子分数，下同），GdNi－GdNi2（1232．60K，57．06％Ni）和Gd2Ni17－Ni（1521．08K，96．24％Ni）．计算结果与相图大部分实验结果在实验误差范围内相吻合．     

异丁烯在水-叔丁醇混合溶剂中的溶解度

将叔丁醇加入水中可增加异丁烯气体在水相中的溶解度,提高异丁烯水合反应速率．在压力0．60～0．74 MPa、温度335．15～358．15K、叔丁醇浓度0～2．0kmol/m~3条件下测定了异丁烯在叔丁醇水溶液中的溶解度．结果表明,叔丁醇能增加异丁烯在水中的溶解度,溶解度随温度的升高而降低．依据溶解度与温度及叔丁醇摩尔浓度的实验数据拟合得到异丁烯溶解度的关系式,并讨论了异丁烯在叔丁醇水溶液中溶解的标准偏摩尔焓及偏摩尔熵．     

直链烷烃的沸点与其分子结构之间的精确定量关系

根据分子结构的特点，用拓扑方法探讨了直链烷烃的沸点与分子结构之间的定量关系，提出能够精确计算直链境烃沸点的公式Tb＝1053．34-943．14exp（-0．2184WK2／3）－36.33th（0．01932P3）。对甲烷到一百烷（C1～C100）的计算结果表明，沸点的计算值都很接近实验值，平均误差仅0．075％，计算精度显著优于文献方法，     

三种非质子酸催化剂的催化性能考察

用考察考察了氧化亚锡、钛酸四丁酯和六水合三氯化铁等3种非质子酸催化剂在石油酸酯化反应中的催化性能。结果表明，在180－230℃下，石油酸与一元醇的摩尔比为0．5，氧化亚锡或钛酸四丁酯用量占石油酸用量的1％－2％，反应3－4h4后都可使石油酸的酯化反应率达99％。在石油酸与二元醇的摩尔比为2．2时，氧化亚锡用量占石油酸用量的2％，反应4h可使二元醇烃基的酯化率达99％。氧化亚锡可重复使用，且酸液的后处理工艺简单。在120－140℃下，石油酸与一元醇的摩尔比为0．33－0．40，六水合三氯化铁的用量占石油酸用量的21％，反应4h可使石油酸的酯化率达到98％。     

Sm(ClO_4)_3-Ala-H_2O三元体系在35℃时的相平衡研究

测定了Sm（ClO4）3－Ala－H2O三元体系在35℃时的溶解度和饱和溶液折光率，构制了相应的溶解度图和饱和溶液折光率曲线。溶解度曲线与折光率曲线均由4支组成，分别与Sm（ClO4）3·8H2O，Sm（Ala）4（ClO4）·2H2O（A），Sm（Ala）3（ClO4）3·3H2O（B）和Ala的晶体相对应。     

1—（ω—烷氧基烷基）己内酰胺的相转移合成法

已内酰与α，ω－二卤代烷在固－液相转移条件下（KOH）／K2CO3混合碱，TBAB为PTC）反应是1－（ω－卤代烷基）己内酰胺1，研究了反应温度、时间、碱及催化剂用量对1，4－二溴丁烷与已内酰胺进行单取代反应产率的影响。结果表明：当己内酰胺：1，4－二溴丁烷：氢氧化钾；碳酸钾：TBAB为1：3：1．5：3：0．05（摩尔比）时，90℃下反应，13h，产率可达75．4％，并合成了其它3个1－（ω－卤代烷基）己内酰胺，在类似的固－液相转移条件下，1与醇反应得标题化合物。     

盐在非水混合溶剂中的溶解度和溶剂化数的研究—KCl（KBr）＋1,2—丙二醇＋惰性

本文在298．15K下测定KCl，KBr在1．2－丙二醇听溶解度，其结果表明，这盐的溶解度随混合溶剂组成变化，遵守李芝芬等人提出的经验规律，并改进了他们提出的溶剂化数计算公式。     

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.     

Design and analysis of generic LBS application developing platform

Location based services is promising due to its novel working style and contents.A software platform is proposed to provide application programs of typical location based services and support new applications developing efficiently. The analysis shows that this scheme is easy implemented, low cost and adapt to all kinds of mobile nework system.     

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