分数几何对称模型理论分析多孔固体催化剂颗粒中的一级等温串连扩散反应

在多孔固体催化剂颗粒中的串连扩散反应是非常重要的一类化学反应，如水解反应，卤化反应和氧化反应等，分数几何对称模型已用于分析这类反应的一般规律，为了得到多孔固体催化剂颗粒内非均相催化反应的各因素，这个模型将拓宽单颗粒化学反应工程的认识领域，而且，在多孔固体催化剂颗粒填充床中分数参数m和实验数据间的关系Dui=Φi^2m 1也已推得。     

超临界苯烃化催化反应中焦前物分子扩散模型的研究

通过超临界相和液相条件下苯烃化反应的实验研究和催化剂的测试分析，发现Ｙ型分子筛催化剂的失活是由于副反应的存在，在催化剂表面上生成了多环大分子生物（称为焦前物）。实验结果表明，超监介反应可以抑制催化剂的结焦，超临界相催化剂活性与液相催化剂活性相比在四倍以上。本文研究超临界流体中的分子扩散传质行为，以并四苯、并五苯和并六苯为焦前物的代表物，建立超监蛤苯烃化反应过程中焦前物粗硬球分子扩散模型。     

超临界CO_2在饱和水多孔介质中扩散系数的测定

多孔介质是CO2地质埋存及CO2驱油过程中的常见载体,在地质埋存及驱油过程中CO2均处于超临界状态.采用一维径向扩散模型模拟超临界CO2在饱和水多孔介质中的扩散,在此模型基础上运用Fick扩散定律得到了超临界CO2在饱和水多孔介质中的扩散方程,结合室内扩散实验,求出扩散系数,并通过改变实验压力和温度研究二者对扩散系数的影响.结果表明,超临界CO2在饱和水多孔介质中的扩散系数处于10-10m2·s-1数量级上.同时,超临界CO2在饱和水多孔介质中的扩散速率均随着温度的增加而增加,随着压力的增加而增加,而且在超临界区域附近受温度、压力等外界物理因素的影响尤为明显.研究结果可用于CO2地质埋存安全性评价及CO2驱油中传质性质的计算.     

超临界苯烷基化催化剂的失活研究

通过在色－质联用机上对苯－乙烯烷基化液相反应产物和超临界反应产物的分析，证实超临床界反应产物带走了更多的反应过程中生成焦前体。催化剂的表征测试分析及催化剂碳氢含量分析均表明，超临界反应条件下催化剂的表面结构、微孔结构的变化程度以及含碳量均较液相反应的小，从微观角度证实了超临界反应能降低催化剂失活速率，延长催化剂寿命。     

合成气在超临界流体及F-T重质烃中的扩散行为研究

对CO和H2在483K、3．5MPa条件下，在充满F－T合成产物（平均相对分子质量400）或超临界正戊烷的催化剂微孔内的扩散速率、孔内气体浓度分布以及催化剂的内表面利用率进行了模拟计算。结果表明合成气在F－T产物中的扩散速率比超临界介质中低得多，从而造成了气相反应中从催化剂孔中到孔内显著的合成气浓度梯度及催化剂内表面利用率的下降，从理论上解释了超临界条件下CO转化率和烃收率优于气相反应的原因。     

SO_2氧化的液相催化理论

有别于通常用经典的多相催化理论研究SO_2在工业钒催化剂上的氧化过程,本文从分析无载体钒催化剂活性组分中的反应动力学和吸收动力学入手,论述了两种典型的SO_2氧化液膜模型结构,初步提出了SO_2氧化液相催化理论的基本构成。最后谈及液相催化理论中几个值得进一步探讨的问题,为进而研究液相活性组分分散于多孔载体上所形成的催化剂的扩散和反应动力学并推导其定量关系式提供了理论准备。     

Ni-Ru双金属复合催化剂催化喹啉水热加氢脱氮反应机理与动力学研究

为探究生物油中难降解的一类重要含氮物质喹啉在水热条件下的催化加氢脱氮反应的机理,研究了Ni-Ru复合金属催化剂作用下喹啉的转化和产物生成规律。实验结果表明:加入甲酸可获得更高喹啉转化率,而加入气态氢则更有利于生成脱氮产物;苯胺和甲基苯胺是主要的喹啉哌啶环开环物质,2-己烯和甲苯是主要的加氢脱氮产物。通过产物分布规律,获得了喹啉水热加氢脱氮反应网络,并发现喹啉在超临界水条件下的反应符合一级反应规律。通过Weisz-Prater公式计算证明了喹啉在超临界水中的反应不受传质阻力的扩散的影响;催化剂透射电子显微镜(TEM)的表征表明制备的催化剂中Ni-Ru双金属均匀分布在γ-Al₂O₃载体上,但是部分活性金属在水热条件下出现团聚现象。所得结果对生物油水热加氢脱氮提质研究具有一定的借鉴意义。     

正已烷和超临界流体CO_2中酶催化酯化作用的试验研究

以酶作催化剂分别在正已烷和超临界流体CO_2溶剂中,用不同浓度的丁酸和庚醇进行酯化反应,并用Hp-5890气相色谱仪对反应产物进行了分析.结果表明,总反应级数近似为一级.这两种溶剂的反应速率对比表明,在超临界流体里的反应速率比在有机溶剂里的反应速率大,超临界流体可以代替传统的有机溶剂.     

用改进的一点配置法计算多孔催化剂有效因子*(I)方法的建立

用改进的一点配置法求解多孔催化剂颗粒扩散－反应边值问题，从而获得催化剂颗粒有效因子的解。改进的一点配置法将整个一维区间划分为几个子区间，然后在每个子区间内用一点配置法求解非线性扩散－反应边值问题。与一级不可逆反应精确解比较，用本文方法计算结果的精度十分令人满意。     

分形几何对称模型理论分析多孔固体催化剂颗粒中稳态一级等温扩散反应的两类边值条件(英文)

较完整地讨论了多孔分形几何对称固体催化剂颗粒周围稳态一级等温扩散催化反应的两点边值条件及其解（包括多孔固体催化剂颗粒的外部几何形状和活性组分分布）．这适合于多孔固体催化剂颗粒构成的填充床反应器的模拟计算．在比较和分析两类边值条件后,证明文中的边值条件②是简单的而且更完善地反映了由多孔固体催化剂颗粒构成的填充床反应器的特征．并给出了多孔固体催化剂颗粒的分形参数ｍ与实验数据的关联式Ｄｕ＝φ２／（ｍ＋１）．     

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.     

An Analysis of Catherine＇s Character——Wuthering Heights

Wuthering Heights, Emily Bronte＇s only novel, was published in December of 1847 under the pseudonym Ellis Bell. The book did not gain immediate success, but it is now thought one of the finest novels in the English language. Catherine is the key character of this masterpiece, because everybody and everything center on her though she had a short life. We can understand this masterpiece better if we know Catherine well.     

Lower Paleozoic oil relationships within Williston Basin, Canada

The Williston Basin is a significant petroleum province, containing oil production zones that include the Middle Cambrian to Lower Ordovician, Upper Ordovician, Middle Devonian, Upper Devonian and Mississippian and within the Jurassic and Cretaceous. The oils of the Williston Basin exhibit a wide range of geochemical characteristics defined as "oil families", although the geochemical signature of the Cambrian Deadwood Formation and Lower Ordovician Winnipeg reservoired oils does not match any "oil family". Despite their close stratigraphic proximity, it is evident that the oils of the Lower Palaeozoic within the Williston Basin are distinct. This suggests the presence of a new "oil family" within the Williston Basin. Diagnostic geochemical signatures occur in the gasoline range chromatograms, within saturate fraction gas chromatograms and biomarker fingerprints. However, some of the established criteria and cross-plots that are currently used to segregate oils into distinct genetic families within the basin do not always meet with success, particularly when applied to the Lower Palaeozoic oils of the Deadwood and Winnipeg Formation.     

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