甲醇脱氢制备甲酸甲酯的催化性能研究

将浸渍法制备的Ｃｕ／ＳｉＯ２、Ｃｕ－ＺｎＯ／ＳｉＯ２、Ｃｕ－ＺｎＯ－ＺｒＯ２／ＳｉＯ２,以及Ｃｕ／γ－Ａｌ２Ｏ３、Ｃｕ－ＺｎＯ／γ－Ａｌ２Ｏ３、Ｃｕ－ＺｎＯ－ＺｒＯ２／γ－Ａ六种催化剂应用于甲醇脱氢制甲酸甲酯反应。实验结果表明,以Ａｌ２Ｏ３为载体的催化选择性较差且易积炭失活;加有ＺｎＯ助催化剂的Ｃｕ－ＺｎＯ／ＳｉＯ２性能优于末加助催化剂的Ｃｕ／ＳｉＯ２;加有权助催化剂的Ｃｕ－Ｚｎ－ＺｒＯ２／Ｓｉ     

CeO2对CuO／γ—Al2O3,CuO／α—Al2O3催化剂的还原性能和CO …

本文以ＣＯ氧化模式反应考察ＣｕＯ／γ－Ａｌ２Ｏ３,ＣｕＯ／ＣｅＯ２／γ－Ａｌ２Ｏ３,ＣｕＯ／α－Ａｌ２Ｏ３和ＣｕＯ／ＣｅＯ２／α－Ａｌ２Ｏ３催化剂的氧化活性,运用ＴＰＲ技术研究了催化剂的还原性能,结果表明,ＣｅＯ２能提高Ａｌ２Ｏ３负载ＣｕＯ催化剂的ＣＯ氧化活性,抑制ＣｕＡｌ２Ｏ３尖晶石的形成,改善催化剂的热稳定性。     

超导体YBa_2Cu_3O_（7－δ）的紧束缚能带计算

采用ＥＨＴ近似下的紧束缚能带结构计算方法，计算了ＹＢａ＿２Ｃｕ＿３Ｏ＿（７－δ）和ＹＢａ＿２Ｃｕ＿３Ｏ＿６的能带结构。结果表明，穿越超导休ＹＢａ＿２Ｃｕ＿３Ｏ＿（７－δ）费米面的是三条来自Ｃｕ－Ｏ面和Ｃｕ－Ｏ链的能带，半导体ＹＢａ＿２Ｃｕ＿３Ｏ＿６没有来自Ｃｕ－Ｏ链的能带．     

氧化铈对Cu－Mn－O燃烧催化剂氧化还原性能的影响

利用微反－色谱技术考察了Ｃｕ－Ｍｎ－Ｏ及Ｃｕ－Ｍｎ－Ｃｅ－Ｏ催化剂的甲苯完全燃烧活性；通过改变氧的浓度，研究了ＣｅＯ＿２对Ｃｕ－Ｍｎ－Ｏ催化剂性能的影响；用ＴＰＲ、ＴＰＯＴ和氢氧滴定法测定了催化剂的表面性能。结果表明，ＣｅＯ＿２能够增加催化剂表面的贮氧量，提高吸氧能力，改进供氧性能，进而提高Ｃｕ－Ｍｎ－Ｏ催化剂在低氧比时的无化活性，也能使还原后的Ｃｕ－Ｍｎ－Ｏ催化剂具有良好的再生氧化活性。     

Ni，Cu间的相互作用及其对CO加氢反应性能的影响

本文采用ＸＲＤ，ＴＰＲ，ＴＰＤ－ＭＳ，ＴＰＳＲ－ＭＳ和ＩＲ技术，研究了负载于ＳｉＯ＿２担体上的Ｎｉ，Ｃｕ间的相互作用以及所引起的ＣＯ加氢反应性能的变化。实验结果表明，双金属Ｎｉ和Ｃｕ之间可以很好地形成合金，Ｃｕ的４ｓ电子迁入Ｎｉ的３ｄ轨道的电子效应，使双金属催化剂对Ｈ＿２和ＣＯ的吸附能力有别于单金属Ｎｉ，Ｃｕ催化剂；ＣＯ加氢在Ｎｉ中心上按“表面碳”机理生成烃类，在Ｃｕ中心上通过ＨＣＯ＿（ａ）活性中间物生成醇类，Ｎｉ和Ｃｕ的合金化则有利于Ｃ＿２以上的物质生成。     

含铜稀土复合氧化物的氧化活性

本文研究了不同配比电子型Ｎｄ－Ｃｅ－ＣＵ－Ｏ和空穴型Ｙ－Ｂａ－Ｃｕ－Ｏ系列样品的ＣＯ氧化活性、晶体结构、程序升温氧脱附和导电性的特征．结果表明：超导体ＹＢａ２Ｃｕ１．５Ｏ７－ｘ和半导体Ｃｅ２ＣｕＯｘ具有良好ＣＯ氧化转化率．后者在１２０℃时，ＣＯ达到完全转化．ＸＲＤ证明它为２ＣｅＯ２和ＣｕＯ混合晶相．由于导电和催化反应机制完全不同，活性高低和样品导电性能间没有发现直接关联．讨论了含Ｃｅ、Ｃｕ样品的活性中心，认为ＣｅＯ２为吸附氧和供氧中心，而Ｃｕｎ＋为ＣＯ活化和氧化反应中心，而前者可能为控制步骤．两者紧密协同，使Ｃｕ２＋的氧化还原循环更容易进行．     

碲酸合铜（Ⅱ）和高碘酸合铜（Ⅱ）配合物的性质和电化学氧化

测试了碲酸合铜（Ⅱ）和高碘酸合铜（Ⅱ）配合物的电子光谱、电子顺磁共振谱、Ｃｕ２ｐＸＰＳ，并给出了配合物溶液中“Ｃｕ（Ⅲ）／Ｃｕ（Ⅱ）”对的循环伏安图．由电子光谱求得其八面体场强参数Ｄｑ值分别为１３５０ｃｍ－１和１４５０ｃｍ－１，结合电子顺磁共振谱、Ｃｕ２ｐＸＰＳ，探讨了配合物中铜与氧之间的化学键性质，确证了Ｃｕ－ＯＩ键的共价性强于Ｃｕ－ＯＴｅ键，高碘酸根对铜（Ⅱ）具有更强的配位能力．基于“Ｃｕ（Ⅲ）／Ｃｕ（Ⅱ）”对的循环伏安图，在碱性溶液中，用电化学法成功地将二价铜氧化成三价铜．     

甲醇催化脱氢制甲酸甲酯反应中Cu－ZrO_2／SiO_2催化剂的特性

考察了常压和２７０℃时甲醇催化脱氢制取甲酸甲酯反应中Ｃｕ－ＺｒＯ２／Ｓｉ４和Ｃｕ－ＺｒＯ／ＳｉＯ４催化剂的活性和选择性，并对催化剂进行了表征．结果表明，Ｃｕ－ＺｒＯ／ＳｉＯ４催化剂的反应性能优于Ｃｕ－ＺｒＯ／ＳｉＯ２催化剂．Ｘ射线衍射分析表明，零价铜是催化活性中心．差热分析表明，ＺｒＯ２的加入缓和了Ｃｕ（ＮＯ３）２的热分解过程．程序升温还原实验表明，加入ＺｒＯ２后，降低了ＣｕＯ的还原温度．根据上述实验结果，解释了ＺｒＯ２的助催化作用．     

N—亚（2—羟基萘甲基）氨基乙酸Schiff碱铜（Ⅱ）配合物的合成

通过２－羟基－１－萘醛和氨基乙酸形成的Ｓｃｈｉｆｆ碱与二价铜了合成新的配合物，并经元素分析、摩尔电导和红外光谱与电子光谱研究面是表征。其Ｃｕ原子形成四配位配合物，分子内中心原子分别形成亚胺的Ｎ→Ｃｕ，羟基的Ｏ－Ｃｕ，酚氧原子的Ｏ－Ｃｕ以及水的配位Ｏ→Ｃｕ。     

Cu—Mn—Pt／γ—Al2O3系列催化剂中组分间的活性增强效应

通过ＣＯ氧化活性测试，采用ＸＲＤ、ＸＰＳ、ＴＰＲ等方法表征，研究了Ｃｕ－Ｍｎ－Ｐｔ／γ－Ａｌ２Ｏ３系列催化剂中组分间的活性增强效应，并对其固相结构和表面组成进行表征．结果表明：（１）氧化型ＣｕＭｎ／γ－Ａｌ２Ｏ３催化剂中Ｃｕ和Ｍｎ之间存在一定的活性增强效应，两种活性组分发生协同作用；（２）还原型Ｐｔ－Ｃｕ／γ－Ａｌ２Ｏ３和Ｐｔ－Ｍｎ／γ－Ａｌ２Ｏ３催化剂的氧化活性在系列中最高，Ｐｔ－Ｍｎ／γ－Ａｌ２Ｏ３的ＣＯ氧化活性增强效应最为显著．这与加人Ｐｔ后，Ｃｕ２＋易被还原，Ｃｕ＋明显增多有关；（３）同时含有Ｃｕ、Ｍｎ组分的几种催化剂中，催化剂表面上Ｃｕ均有一定富集，加人Ｐｔ后，表相以Ｃｕ＋为主．由于Ｃｕ－Ｍｎ－Ｐｔ三元催化剂的制备方法不同，以致氧化活性相差很大，共浸制备较分浸制备的催化剂活性要好的多．     

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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