双水杨基缩乙二胺合铬(Ⅲ)配合物的非等温热分解动力学研究

用红外光谱和X－射线分析对双水杨基乙二胺合铬配合物[Cr(salen)(H2O)2]NO3进行了表征，并用TG和DTG方法对其分解的机理进行了研究；通过用微分和积分的方法对其非等温动力学的分析与动力学参数的比较，提出了最可能的动力学模型方程。     

负载铁的废弃大孔吸附树脂热分解动力学研究

以废弃D-101型大孔吸附树脂为对照,以Fe^3＋作催化剂,采用热重法（TG）研究了铁负载量分别为0．5％、3．0％、5．0％和8．0％的废弃D-101型大孔吸附树脂的热分解特性．实验结果表明：铁负载量为5％以下时有利于树脂在600℃以下热分解,其中铁负载量为0．5％的树脂在600℃以下失重率最大,且催化剂的用量最小,为最佳催化浓度．用TG．DTG法对5个不同铁负载量的树脂在非等温条件下进行热分解动力学研究,把从TG．DTG曲线中取得的数据和30个不同的方程采用Achar微分法和Madhusudanan-Krishnan-Ninan（MKN）积分法对其进行非等温分解动力学研究,得到动力学参数（表观化学能E和指前因子A）和分解动力学机理及方程．得出结论：未负载铁的树脂和铁负载量分别为3．O％、8．0％的树脂的热分解动力学方程为doddti=Aexp（-E/RT）^1/3。（1-α）[-1n（1-α]^-2,铁负载量分别为0．5％和5．0％的树脂的热分解动力学方程为dα/dt=A exp（-E/RT）^2（1-α）^3/2,后者的分解符合Chemical reaction机理．     

Cr2O3含碳球团的还原过程

为了解不锈钢冶炼粉尘中三氧化二铬的还原特性和还原过程的主要影响因素,采用纯Cr2O3粉末与碳粉、氧化钙、铁粉混合制粒成球,通过实验研究温度、含碳量和球团大小对还原度和还原过程的影响,并建立还原过程的动力学模型.研究结果表明:Cr2O3的碳热还原可分为前期和后期2个阶段,前期为化学反应控制,动力学方程为g(f)=(0.29m-0.01)t·exp[-60 370/(RT)];还原过程后期为扩散控制,其动力学方程为g(f)=(-0.17w 0.31)t·exp[-99 435/(RT)].     

高浓度铝酸钠溶液晶种分解动力学

引入瞬时晶种系数Krt,以[(ρ-ρc)/ρf]n2为过饱和铝酸钠溶液晶种分解过程的推动力,导出了高浓度铝酸钠溶液晶种分解过程的动力学方程,得到在高浓度条件下晶种分解过程的表观活化能为30.84kJ/mol。应用所导出的动力学方程,对分解温度、苛性碱浓度、过饱和度等因素对高浓度条件下晶种分解过程的影响进行模拟分析,研究结果表明:由于该过程的控制方式由铝酸钠溶液较低浓度时的表面化学反应控制转变为高浓度的扩散控制或混合控制,从而导致铝酸钠溶液高浓度时的活化能明显低于其较低浓度时的活化能。     

AlCl3与水合草酸混合物的热解动力学

用热重法研究AlCl3与二水合草酸混合物的非等温热分解动力学，在AlCl3与二水合草酸摩尔比不同的情况下，分解过程及分解产物也有所不同，第一步分解：样品（3：100）分解产物的一水合草酸，样品（6：100；9：100：12：100）分解产物为草酸酐，样品（3：100）和样品（6：100；9：100；12：100）的机理函数均为8号机理，动力学方程为dα/dr=Ae^-Ea/Rr（3/2）（1-α）[-ln(1-α)]^1/3。但样品（3:100）比样品（6：100；9：100；12：100）的活化能要高些，第二步分解：样品（3：100）对应10号机理，动力学方程为dα/dt=Ae^Ea/Rt3(1-α）[-ln（1-α）]^2/3,而样品（6：100；9：100；12：100）对应9号机理，动力学方程为dα/dt=Ae^-Ea/Rt2(1-α）[-ln（1-α）]^1/2。     

关于臭氧研究的进展

该文综述了臭氧的一些性质的理论基础和实验研究进展，如臭氧在水中的传质理论、溶解理论、获取高浓度臭氧水的方法、臭氧水的稳定性及影响因素、臭氧在水中的自分解动力学及反应机理、臭氧在气相中的分解机理及一些催化分解臭氧的催化剂；并介绍了几种臭氧的分析方法．     

Fe(Ⅲ) EDTA 催化分解H2O2反应动力学研究

用比色法研究了Fe(III_EDTA催化分解H2O2反应,在pH=8.2,离子强度I＝0。1,温度T＝288,OK的条件下,反应的动力学方程为－d[H2O2]/dt=k(h2o2][Fe(III)EDTA],速率常数k=30.38dm^3.mol^-1,min^-1,反应的活化能En=43.15kJ.mol^-1,并对反应机理进行了讨论。     

双水杨基缩乙二胺合铬(III)配合物的非等温热分解动力学研究

用红外光谱和X 射线分析对双水杨基乙二胺合铬配合物 [Cr(salen) (H2 O) 2 ]NO3进行了表征 ,并用TG和DTG方法对其分解的机理进行了研究 ;通过用微分和积分的方法对其非等温动力学的分析与动力学参数的比较 ,提出了最可能的动力学模型方程     

纳米四水羟基硝酸氧铋的制备及在氮气气氛下的热分解动力学

利用反相微乳液法制备出了纳米四水羟基硝酸氧铋[Bi6O4(OH)4](NO3)6(H2O)4,并以热分析为手段对纳米[Bi6O4(OH)4](NO3)6(H 2O)4的热分解过程和非等温热分解动力学机理进行了研究.动力学研究确定了[Bi6O4(OH)4](NO3)6(H2O)4脱硝酸根反应属于球对称的三维扩散的D3机理,热分解表观活化能为E=98.90033 kJ/mol,lnA=27.13109.     

宣钢优特钢用活性石灰反应过程动力学研究

对宣化钢铁公司石灰厂所用的石灰石的分解过程进行了动力学研究.以升温速率分别为10、15、20、25和30℃/min的方式将过200目筛子的石灰石粉末加热到1000℃,通过测量其热重曲线,得出分解过程的机理方程为F(α)=(1-α)-1;所用碳酸钙的热分解反应的速率常数为k=54325e-98873/RT.通过对(0.02m×0.02m×0.02m)的石灰石样品在1223、1323和1423K进行的分解实验,确定了CO2在该石灰石生成CaO过程中的扩散系数和温度的关系为lgD=-25062/T 2.28,得到了石灰石分解的动力学模型,并用此模型作了预测,与实际吻合较好.     

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.     

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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