基于扰动硬链理论的活度系数模型

提出了一个新的活度系数模型，该模型与立方扰动硬链方程及其混合规则有相同的统计力学基础和纯物质参数，对各类极性溶液的汽液平衡活度系数可取得与Ｗｉｌｓｏｎ方程相当的关联效果，将其应用于烃－水体系液－液平衡的计算，结果略优于ＮＲＴＬ方程，新模型的主要特点在于它包括了几个纯物质参数，其二元参数随温度的变化很小，从而具有更强的预测性。     

色谱顶空法测活度系数及对三元极性体系液液平衡预测

用气相色谱顶空分析法测定18组部分互溶三元极性体系在完全互溶区的3个组分活度系数，由此拟合出UNIQUAC过量自由焓模型参数，再用UNIQUAC方程预测液液平衡，这一方法曾很好地用在水－－正烷烃－－醇体系。将此法拓展到含醇、酮、酯，醚、卤烷烃和水等多种极性组分的三元体系液液平衡的预测，其结果与文献的液液平衡数据比较，平均均方根误差1.41%，表明本法对含极性组分的体系仍然可行。     

盐对水—乙醇系统汽液平衡影响的关联与推算

测定了水－乙醇－盐（NaCl、KCl）系统的等压（100.8kPa)汽洲平衡数据，以三元Gibbs-Duhem方程为基础给出盐对气液对气液平衡影响的关联方程，采用对Pitzer模型微扰的方法得到电解质在混合溶剂中的活度系数，仅有一个可调参数可由少数实验点确定，此法在无盐汽液平衡基础上可从盐的浓度推算盐对汽液平衡的影响，在盐浓至饱和及乙醇浓度变化很大范围内汽相组成及平衡温度的推算结果与均与实验相符。     

氨基酸与甲醇-水混合溶剂的相互作用

本文采用改进的Ｒｏｓｅ釜测定了在３３３．１５及３３８．１５Ｋ下，氨基乙酸、ＤＬ－氨基丙酸在甲醇水溶液中的汽液平衡数据．计算了各双液组成下溶剂组分的活度系数以及氨基酸与溶剂组分间的相互作用参数．探讨了溶液内部粒子间的相互作用规律，得到了一些具有理论价值的结论     

用PR方程新的混合规则预测高压汽液平衡

为了预测高压汽液平衡 ,提出了 PR方程新的混合规则。它建立在无限大压力下由状态方程计算出的超额Helmholtz自由能与由活度系数模型得到的超额 Helm holtz自由能相等的基础上 ,并假定液体体积与状态方程参数 b成正比。使用 U NIFAC方程计算超额 Helmholtz自由能 ,利用该混合规则 ,对 6个体系在不同温度和压力下的汽液平衡进行了预测。结果表明混合规则可成功地用于高压汽液平衡的预测 ,其精度比 MHV2模型稍好     

三元体系相平衡问题的研究

测定了２．３－二氯丙烯（１）－环氧氯丙烷（２）完全互溶二元体系恒压下的气液平衡数据，２，３－二氯丙烯（１）－水（３）、环氧氯丙烷（２）－水（３）部分互溶二元体系的相互溶解度数据，同时测定了２．３－二氯丙烯（１）－－环氧氯丙烷（２）－水（３）于５个不同温度下的液液平衡数据。用单纯形法回归出ＵＮＩＱＵＡＣ方程参数，并对完全互溶二元体系的汽液平衡及三元体系的液液平衡进行了计算。结果与实验值较一致。     

一个改进的局部组成型活度系数方程

本文在NRTL模型的基础上补充了超额熵对超额吉布斯自由能的贡献项,并导出了相应的活度系数方程。该方程在关联二元汽液、液液平衡数据中求得的能量作用参数的唯一性甚佳;用它单从二元数据推算三元液液平衡的推算精度较高,且对含水和不含水体系均适用。本文还测定了“水—甲基异丁基酮”在不同温度下的溶解度数据以及35℃下“水—丙酮—甲基异丁基酮”的连结线数据。     

丙酮－PMMA及乙酸乙酯－PMMA系统汽液平衡研究

采用石英弹簧重量法，对三种不同相对分子质量的ＰＭＭＡ单分散样品，测定了３５℃下丙酮－ＰＭＭＡ、乙酸乙酯－ＰＭＭＡ系统的汽液平衡数据。分析了Ｆｌｏｒｙ－Ｈｕｇｇｉｎｓ相互作用参数χ与溶液组成及样品相对分子质量的关系。用Ｅｌｂｒｏ－ＦＶ模型预测了溶剂活度系数，并与实验结果进行了比较。     

二氧化碳-二甲醚-甲醇-水四元体系汽液平衡的测定与预测

利用自吸式搅拌静态平衡釜,由气相色谱检测汽液相组成,测定298.15、313.15、333.15、353.15 K下二氧化碳-二甲醚-甲醇-水四元体系的等温汽液相平衡数据。采用状态方程-活度系数法,由彭-罗宾逊方程计算气相各组分的逸度系数,有序双液方程计算液相活度系数,进行了二氧化碳-二甲醚-甲醇-水四元体系汽液平衡数据的热力学计算。模型计算值与实验值吻合良好。     

异丙醇-苯-水-氟化钾体系液液平衡

用自制的液液平衡器测定了298．15K下异丙醇－苯－水－氟化钾体系的液液平衡数据。考察了氟化钾对该体系的分配系数和选择性系数的影响，对所测数据用改进的Eisen-Joffe方程进行了关联，结果良好。     

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.     

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     

On the Thermodynamic Limit for Responses to Static Electromagnetic Fields

For molecular systems,the quantum-mechanical treatment of their responses to static electromagnetic fields usually employs a scalar-potential treatment of the electric field and a vector-potential treatment of the magnetic field.Although the potential for each field separately is associated with the choice of an(unphysical)origin,the precise choice of the origin for the electrostatic field has little consequences for the results.This is different for the     

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     

Journal of Donghua University ( English Edition) Contents of Volume 31

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