外场中Sierpinski镂垫上磁模型的临界性质

采用空间部分中点消约重整化群变换的方法，研究了有外磁场Sierpinski镂垫上Ising模型和Gauss模型的相变和临界性质，求出了其临界点的临界指数。结果表明：在这种分形晶格上，两种模型的临界性质存在很大的差异，即在临界点处，对于Ising模型，最近邻相互作用参量K^*=∞，磁场h^*=0；而对于Gauss模型，K^*=b/4(b是Gauss分布常数），h^*＝0。     

伴随相变的不互溶二元液体混合物的传热 (二)流动传热实验研究

本文以环已烷为分散相、水为连续相进行了不互溶二元液体混合物的流动传热实验:分析了传热机理;关联了实验数据。对于伴随相变化的不互溶二元液体混合物的流动传热过程。从传热机理上可将其分为四个不同的传热区域。即:液—液、汽—液—液、无相变汽—液和汽—液沸腾四个区域。在汽—液—液区域内,分散相液滴的相变化仅仅起到对连续相加剧湍动的作用,而相变化本身对多相流与壁面的传热无影响.在对单一液滴在另一与之不互溶的连续相中的流体力学及相变过程研究的基础上,本文着重对汽—液—液和无相变汽—液区域内的传热系数进行了无因次数群关联.经验关联式的计算值能够与实验值较好地吻合。     

狭缝孔内水煤气变换反应平衡的蒙特卡罗模拟

采用反应蒙特卡罗(RCMC)方法模拟了狭缝孔内水煤气变换反应的化学平衡。模拟中,CO和H₂描述成球形LJ分子,H₂O和CO₂的分子势能分别采用TIP4P和EPM2模型计算。孔壁分子与L J点位之间的相互作用采用Steele的10-4-3模型计算。采用经典热力学方法得到主体相的平衡组成,并与RCMC的计算结果比较。两者的一致表明可以通过RCMC方法来计算预测狭缝孔内的化学平衡组成。进一步探讨了压力、温度、孔宽以及进料气摩尔组成等因素对孔内化学平衡的影响。计算表明,尽管孔内H₂摩尔分数低于主体相,但是在压力为1MPa、温度723.15K、孔宽H=3.652nm和进料水汽比n(H2O)∶n(CO)=1∶1条件下,可以得到较大的孔内H₂产量。     

液体混合物的导热系数与汽液平衡之间的关系

将统计热力学模型与作者建立的传热反应速率理论相结合，通过液体混合物中分子间的相互作用能、分子的大小和形状，将液体混合物的导热系数与汽液平衡相互联系起来，使这两类液体混合物的性质统一到分子间相互作用能、分子的大小和形状这一液体混合物的共性上，对这两类性质进行统一的描述，研究这两类性质之间的关系。对１１对二元体系根据液体混合物的导热系数对汽液平衡进行了推算。结果表明，所建立的液体混合物的模型能够描述它们的导热系数与汽液平衡之间的相互关系。     

Lennard-Jones流体汽液界面的分子动力学研究

为深入认识汽液界面现象 ,解释汽液界面的独特性质 ,采用分子动力学模拟方法从分子水平上研究了 L ennard-Jones流体汽液界面。模拟结果表明 ,汽液界面实际上是一个随时间涨落的起伏不平的曲面 ;汽液过渡区就是该曲面的涨落区域 ;汽液相变是一个突变的过程 ;汽液界面体系内密度、压力张量及温度等热力学量连续变化只是统计的结果。并在此认识基础上 ,从汽液分子相互转化的微观行为解释了汽液界面的温度分布中的尖峰和低谷出现的原因。在分子的汽液相变过程中 ,从液相向气相的转化发生在汽液界面的波峰处的几率最大 ,而从气相向液相的转化发生在汽液界面的波谷处的几率最大     

缔合物系(醋酸—甲酸—水)汽液相平衡的研究——UNIFAC模型与Wilson模型的比较

用Ellis平衡釜测定了醋酸—甲酸—水三元体系在760mmHg下的汽液平衡数据;汽相逸度系数采用考虑汽相分子缔合效应的Tamir模型,液相活度系数分别采用UNIFAC模型和Wilson模型进行了热力学关联与比较。     

SG 分形晶格上Gauss模型的临界性质

在SG分形晶格上研究二体自旋作用和三体自旋作用都存在时Gauss模型的相变和临界性质，与只有二体自旋作用的情况相比较，在无外场和有外场的情况下，临界点和临界指数都发生了变化，这表明三体自旋作用对其临界点和临界性质都有一定的影响．     

玉米芯基生物炭的制备及其吸附性能

采用农业废弃物玉米芯作为原材料,通过生物碳化(HTC)的方法在不同温度下制备低成本、高性能吸附剂用生物炭.该生物炭具有介孔结构,表面含有丰富的含氧官能团,如—OH,C==O,C—O等,其种类及密度受水热温度的影响.以亚甲基蓝(MB)作为模型吸附剂,进一步研究了生物炭的吸附性能.吸附动力学研究表明符合拟二级动力学模型吸附行为,且225 ℃水热条件下得到的生物炭具有最大吸附量(41.37 mg/g)和最高吸附速率.等温吸附平衡数据与Langmuir等温模型吻合较好,表明生物炭对MB的吸附是单层吸附;生物炭表面含氧官能团与MB分子相互作用有助于吸附过程.     

天然气液烃输送管道非平衡汽液相变及两相流动研究进展

天然气液烃(NGL)的主要成分是乙烷、丙烷、丁烷等低碳烷烃。在压力瞬变工况下,储运设备中的NGL汽液相变过程很难在瞬间达到热力学平衡状态,由此引发非平衡、非稳态的汽液两相流动。综述了NGL非平衡汽液相变机理及传热传质速率计算方法、非平衡汽液两相管流数学模型与数值模拟方法的研究进展。指出应着重开展以下三方面的研究:第一是采用实验和理论相结合的方法,探究NGL非平衡汽液相变的微观机理,建立汽液相间非稳态传热传质模型;第二是考虑非稳态传热传质过程与管道压力、温度、流速等参数之间的耦合作用,基于流体力学理论和非平衡态热力学理论,建立伴随非平衡汽液相变的NGL输送管道两相流动数学模型,研究模型的数值求解方法;第三是开发NGL输送管道仿真软件,揭示NGL汽液两相管流参数变化规律,为NGL输送管道的设计、运行和管理提供理论和技术支撑。     

层流液柱吸收法测定气体在液相中的扩散系数

采用射流吸收的简捷方法，通过测定由Ｓｈｏｕｔｈｗｅｌｌ型孔板所产生的截面速度均匀的层流喷射液柱所吸收的气体量，由渗透理论所导出的模型，可计算出一定温度、压力下的微溶气体在液相中的分子扩散系数Ｄ。在温度为３０～４５℃的范围，测试结果与文献值吻合良好．     

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.     

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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