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     

AI~(3 ),Ph~(2 )掺杂提高SIO_2驻极体正电荷贮存性能

运用熔凝工艺在非晶态ＳｉＯ２薄膜驻极体中掺入质量分数为０．２的Ａｌ２Ｏ３和质量分数为０．４的ＰｂＯ．高温恒栅压正电晕充电及等温电荷衰减等实验表明,经Ａｌ(３＋)和Ｐｂ(２＋)离子掺杂改性的ＳｉＯ２薄膜（ＳｉＯ２－Ａｌ２Ｏ３－ＰｂＯ）具备较好的正极性驻极体性能,其正电荷储存稳定性在２１０ｄ后高于９５％;热激放电（ＴＳＤ）正电荷电流谱成为简明的负向放电曲线,峰值稳定于ｔ＝２９０℃附近;薄膜成形温度降低为８００℃左右,工艺得到简化．这表明有针对性的离子掺杂可以有效改善ＳｉＯ２薄膜体内的微观网络结构,从而提高其电荷注人与存储能力．     

铜基甲醇合成催化剂的EPR表征

用ＥＰＲ谱法对铜基甲醇合成催化剂作表征。结果表明：在少量Ａｌ￣（３＋）掺杂的ＺｎＯ－Ａｌ＿２Ｏ＿３体系可检测到ｇ＝１．９６０６±０．０００２，△Ｈｐｐ＝２．８Ｇ的顺磁信号，其强度随Ａｌ＿２Ｏ＿３掺杂量增加而增强，当Ａｌ／Ｚｎ～２／１００（原子比）时趋于峰值；而在三组份Ｃｕ－ＺｎＯ－Ａｌ＿２Ｏ＿３和四组份Ｃｕ－ＺｎＯ－Ａｌ＿２Ｏ＿３－Ｓｃ＿２Ｏ＿３催化剂体系中，此顺磁信号基本消失。以上结果为三价金属离子（Ａｌ￣（３＋）、Ｓｃ￣（３＋））在ＺｎＯ晶格掺杂诱生正一价缺位从而有利于Ｃｕ以＋１价态存在的观点，提供了新证据。     

添加物对CaO-Al_2O_3-SiO_2系统玻璃析晶性能的影响

借助ＩＲ,ＤＴＡ,ＸＲＤ及ＯＭ分析手段,研究了ＺｎＯ,Ｎａ２Ｏ对ＣａＯ－Ａｌ２Ｏ３－ＳｉＯ２系统玻璃析晶性能的影响。结果表明,随（Ｎａ２Ｏ＋ＺｎＯ）／（Ａｌ２Ｏ３＋ＳｉＯ２）的量比增大,玻璃结构由致密转向疏松,且不均匀性增加,析晶活化能下降     

ZnO压敏陶瓷热处理实验的研究

ＺｎＯ压敏陶瓷在工作电压长期作用下，会产生电流蠕变现象，使Ｓｃｈｏｔｋｙ势垒不稳定．用正电子湮没技术（ＰＡＴ）证实：ＺｎＯ在适当温度下的氧化热处理，使氧离子Ｏ－或Ｏ２－吸附于晶界层内并有利于提高ＺｎＯ性能稳定性     

Al^3＋,Pb^2＋掺杂提高SiO2驻极体正电荷贮存性能

运用熔凝工艺在非晶态ＳｉＯ２薄膜驻极体中掺入质量分数为０．２的Ａｌ２Ｏ３和质量分数为０．４的ＰｂＯ。高温恒栅压正电晕充电及电荷衰减等实验表明，经Ａｌ＾３＋和Ｐｂ＾２＋离子参杂改性的ＳｉＯ２薄膜较好的正极性驻极体性能，其正电荷储存稳定性在２１０ｄ后高于９５％；热激放电正电荷电流谱成为简明的负向放电曲线，峰值稳定于ｔ＝２９０℃附近；     

细晶氧化铝瓷研究

实验研究ＣａＯ－ＭｇＯ－ＳｉＯ２熔块对Ａｌ２Ｏ３瓷烧结的作用结果表明：在２０％ｗｔ％ＣａＯ，３０ｗｔ％ＭｇＯ，５０ｗｔ％ＳｉＯ２区域附近的熔块能很好地促进Ａｌ２Ｏ３瓷的低温烧结；除了第２相对晶界的钉扎作用以及固溶作用外，ＭｇＯ在烧结中的作用能维持ＣａＯ／ＳｉＯ２比，即维持烧结系统中的液相量；Ｌａ２Ｏ３，Ｓｍ２Ｏ３能使Ａｌ２Ｏ３瓷的烧结温度下降大约３０℃，其表面显微结构也有所改善。     

钾霞石与白榴石对铝碳材料影响的量化从头算

应用量子化学从头算方法探讨了Ａｌ２Ｏ３－Ｃ材料的碱蚀产物－钾霞石与白榴石对Ａｌ２Ｏ３－Ｃ材料的物理，化学性能的影响机理，给出了合理的微观解释。研究表明，Ａｌ２Ｏ３－Ｃ材料在高温碱蚀条件下，其中的Ａｌ２Ｏ３和ＳｉＯ２与Ｋ２Ｏ工Ｋ２ＣＯ３形成ＫＡｌＳｉＯ４及ＫＡｌＳｉ２Ｏ６Ｆ６。使原Ａｌ２Ｏ３中的原子间距增大，结构改变，原子间结合力大大下降。     

氧化物复合脱铜剂钢液脱铜

实验研究了１６００℃时，不同Ｃ－ＺｎＯ配比条件下，Ａｌ２Ｏ３－ＺｎＯ－Ｃ及Ａｌ２Ｏ３－ＺｎＯ－Ａｌ复合脱铜剂的钢液铜效果，对氧化物复合脱铜剂的脱铜原理，脱主提高脱铜效率的因素进行了分析讨论。     

过滤净化对铝青铜组织和性能的影响

研究了高锰铝青铜ＺＱＡｌ２－８－３－２中夹杂物的种类和形态。其宏观夹杂物有： 三氧化二铝（α－Ａｌ２Ｏ３）；莫来石（３Ａｌ２Ｏ３·２　ＳｉＯ２）；铝尖晶石．微观夹杂物有： Ａｌ２Ｏ３；ＭｎＳ·ＦｅＳ：ＦｅＯ；ＭｎＯ．并用不同的过滤介质：刚玉球、高铝砖、焦宝石、烧 石等，对高锰铝青铜进行了过滤试验．结果表明：过滤对除去高锰铝青铜中的夹杂物 有明显效果，材料的疲劳性能可提高４１．３％，延伸率最好的可提高９．７％，抗拉强 度略有提高。     

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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