1—苯基—3—甲基—4—（α—呋喃甲酰基）—5—吡唑酮与中性萃取剂协同萃取钇（Ⅲ）的研究

本文研究了１－苯基－３－甲基－４－（α－呋喃甲酰基）－５－吡唑酮（ＨＡ）单独萃取Ｙ（Ⅲ）及其与二苯亚砜（ＤＰＳＯ），磷酸三丁酯（ＴＢＰ）或三辛基氧膦（ＴＯＰＯ）协同萃取Ｙ（Ⅲ）的行为。确定了萃合物的组成分别为ＹＡ＿３，ＹＡ＿３·ＤＰＳＯ，ＹＡ＿３·ＴＢＰ和ＹＡ＿２（ＮＯ＿３）·２ＴＯＰＯ．算得萃取平衡常数分别为：ｌｏｇＫ＿（Ａ（ＨＡ））＝－６．８６，１ｏｇＫ＿（ＡＢ（ＨＡ＋ＤＰＳＯ））＝－３．８９，ｌｏｇＫ＿（ＡＢ（ＨＡ＋ＴＢＰ））＝－２．５３和ｌｏｇＫ＿（ＡＢ（ＨＡ＋ＴＯＰＯ））＝５．１３．     

K0.5（NH4）5.5[MnMo9O32].6H2O2的合成及其晶体结构

由ＨＭｎＯ４和（ＮＨ４）６Ｍｏ７Ｏ２４；４Ｈ２Ｏ合成了标题化合物Ｋ０．５（ＮＨ４）５．５「ＭｎＭｏ９Ｏ３２」．６Ｈ２Ｏ用Ｘ－射线测定了晶体结构，该化合物的晶体属三方晶系，空间群Ｒ３２；ａ＝１５．８４６（４），Ｃ＝１２．３９６（３０）Ａ，Ｍｒ＝１６５７．２８，Ｖ＝２６９５．６Ａ＾３，Ｚ＝３，Ｄｃ＝３．８２ｇ／ｃｍ＾３，μ４１．５＝ｃｍ＾－１，Ｆ（０００）＝２９６７和３０２４个可观测衍射「Ｆｐ≥３σ（     

N530与D2EHDTPA对钯的协同萃取

通过２－羟基－４－仲辛基－二苯甲酮肟（Ｎ５３０）与二－（２－乙基己基）二硫代磷酸（Ｄ２ＥＨＤＴＰＡ）的氯仿溶液,从ＨＣ１Ｏ４是质中对钯协同萃取的研究,采取斜率法确定了萃合物的组成为：Ｌ．Ｐｄ．Ａ。协同萃取反应平衡常数 为１ｇＫ１２＝１．６７,协同萃取配合物生成常数为β１２＝１．７１。同时计算了协同萃取反应的热力学函数值,△Ｈ１２＝１６．８１ＫＪ／ｍｏｌ,△Ｓ１２＝８８．０Ｊ／（ｍｏｌ．Ｋ）,△Ｇ１     

N,N,N’,N’-四异丁基-3-氧戊二酰胺对锝(Ⅶ)的萃取研究

研究了荚醚Ｎ,Ｎ,Ｎ‘,Ｎ’－四异本基－３－氧戊二酰胺－正辛醇－煤油溶液从ＨＮＯ３体系中萃取Ｔｃ的行为,萃取过程为一放热反应,反应热约为－４０．１ｋＪ／ｍｏｌ,确定萃合物的组成和萃取反应机理,萃取反应为：Ｈ＾＋＋ＴｃＯ＾－４＋２５ｉＢｕＧＡ（０）＝ＨＴｃＯ４．２ＴｉＢｕＧＡ（０）。     

Pb—Ag—Ca新型阳有在MnSO4—H2SO4溶液中腐蚀速度的测定

分别测定了ＰＡＣ电极（Ｐｂ－Ａｇ－Ｃａ新型阳极的简称）在ＭｎＳＯ４－Ｈ２ＳＯ４溶液中的阴极极化曲线及阳极极 线，从图中求得：ｉｃｏｒ＝１５．８５μＡ／ｃｍ＾２，ψωｒ＝－０．０９５Ｖ，Ｖｃｏｒ＝２．９５Ｋｇ／ｍ＾２ａｎｎ．７．９０％（电极重量每年消耗的百分数）ｉ。（２）＝５４．７０μＡ／ｃｍ＾２及ｉ。（３）＝１．１０μＡ／ｃｍ＾２；讨论了ＰＡＣ阳极的腐蚀机理即反应（２）受反应（３）的动力学参数所     

HDEHP萃取Zn（Ⅱ）的稀释剂效应

考察了ＨＤＥＨＰ在不同稀释剂中对Ｚｎ（Ⅱ）的萃取平衡，探讨了萃取平衡常数与稀释剂性质间的关系，建立了平衡常数与稀释剂极性参数（ＤＰ和Ｓ）间的经验方程，求得萃合物ＺｎＡ２．２ＨＡ的溶解度参数为１６．５Ｊ＾１／２．ｃｍ＾－３／２。     

异烟酸铬（Ⅲ）配合物热分解脱水反应非等温动力学研究

本文对Ｃｒ２（Ｉｎｉｃ）３Ｃｌ３（Ｈ２Ｏ）３．５Ｈ２Ｏ配合物进行了热分解脱水反应非等温动力学研究，运用Ａｃｈａｒ法与Ｃｏａｔｓ－Ｒｅｄｆｅｒｎ法，推断该热分解脱水反应力三级反应，其动力学方程为ｄα／ｄｔ＝Ａｅｘｐ（－Ｅ／ＲＴ）．０．５（１－α）＾３，动力学补偿效应表达式为１ｎＡ＝０．３０２７Ｅ－１．２９７９。     

稀土金属镱及钇苦味酸盐与苯并15冠5配合物的晶体和分子结构

标题化合物Ｙｂ（Ｐｉ）＿３（Ｂｌ５Ｃ５）＿２·２Ｈ＿２Ｏ·ＣＨ＿３ＣＮ（Ｉ）及Ｙ（Ｐｉ）＿３（Ｂｌ５Ｃ５）＿２·２Ｈ＿２Ｏ·ＣＨ＿３ＣＮ（Ⅱ）为同晶结构，均为３斜晶系，空间群为Ｐ－对晶体（Ｉ），ａ＝１２．７５３（１）Ａ，ｂ＝１３．８１０（２）Ａ．ｃ＝１９．６０９（２）Ａ，α＝８１．３７（３）°，β＝７１．５８（３）°，γ＝７０．７１（２）°，Ｚ＝２．Ｄ＿ｃ＝１．４６８ｇ·ｃｍ￣（－３），μ＝１５．９２８ｃｍ￣（－１）（ＭｏＫα），Ｍ＿ｒ＝１４７１，０４，Ｆ（０００）＝７４５，Ｒ＝０．０３１，Ｒ＿ｗ＝０．０３９；对晶体（Ⅱ），α＝１２．７８５（１）Ａ，ｂ＝１３．８５０（３）Ａ，ｃ＝１９．５７１（２）Ａ，α＝８１．０５（３）°，β＝７０．９２（２）°，γ＝７０．６２（３）°，Ｚ＝２，Ｄｃ＝ｌ．４８５ｇ·ｃｍ￣（－３），μ＝１０．４４１ｃｍ￣（－１）（ＭｏＫα），Ｍ＿ｒ＝１３８６．９ｌ，Ｆ（０００）＝７ｌ４，Ｒ＝０．０６５，Ｒ＿ｗ＝０．０７８．测定结果表明，中心稀土离子Ｙｂ￣（３＋）（或Ｙ￣（３＋）直接与３个苦味酸阴离子和２个水分子配位，此水化镱（或钇）苦味酸盐通过水桥氢键与冠醚Ｂｌ５Ｃ５相联而形成一个大的疏水性     

Cl-和SO2-4对厌氧废水处理的抑制阈值

用人工配制高浓度有机废水分别研究了Ｃｌ＾－和ＳＯ４＾２－对厌氧生物废水处理的抑制作用和抑制阈值。在全混流厌氧恒化器和上流式厌氧污泥床（ＵＡＳＢ）反应器中分别得到了对厌氧消化基本无抑制作用（全混流恒化器：Ｃｌ＾－〈４．５ｇ／Ｌ,ＳＯ４＾２－〈１．８ｇ／Ｌ;ＵＡＳＢ：Ｃｌ＾－〈７．２ｇ／Ｌ,ＳＯ４＾２－〈３．０ｇ／Ｌ）;轻度抑制（全混流恒化器：Ｃｌ＾－＝４．５￣６．０ｇ／Ｌ,ＳＯ４＾２－＝１．８￣３．     

部分取代苯定量结构-生物降解相关性(QSBR)研究

采用Ｃｈｅｍｓ３Ｄ中量子化学ＭＯＰＡＣ－ＡＭ１法计算了７种间苯胺类和８地苯酚的分子量高占有轨道能ＥＨＯＭＯ、分子最低空轨道能ＥＬＵＭＯ。用ＱＳＡＲ程序软件包查得分子体积Ｖｍ。结合分子连接性指数（＾３Ｘ,＾３Ｘ＾ｖ）对生物降解二级速率常数对数ｌｇＫｂ进行定量结构－生物降解相关性（ＱＳＢＲ）分析,通过回归分析,得到如下两个回归方程：ｌｇＫｂ＝－０．８３２－０．１１８Ｖｍ＋１．７４８＾３Ｘ＾ｖ,ｎ＝１５,Ｒ＾２＝０．８３２,ＳＥ＝０．５７７,Ｆ＝２９．７,ｐ＝０．０００。（１）ｌｇＫｂ＝０．１２４Ｖｍ＋１．７４９＾３Ｘ＾ｖ,ｎ＝１５,Ｒ＾２＝０．９９８,ＳＥ＝０．５５９１,Ｆ＝４１４８．９９,ｐ＝０．０００．（２）     

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.     

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     

An affordable accurate evaluation of the binding conformations predicted by molecular docking studies in bio-system

Franck-Condon factors bridge the gap between theoretical modeling and experimental observations for molecular electronic spectroscopy and electron transfer.Under the displaced harmonic oscillator approximation,multidimensional Franck-Condon factors are decomposed into a product of many one-dimensional(1D)Franck-Condon(FC)factors,and each 1D-FC factor is associated with one Huang-Rhys factor that determines the leading contribution of     

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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