多分散高分子固液界面吸附构型的Monte Carlo模拟

在格子模型基础上用M onte Carlo方法模拟研究了多分散高分子在固液界面的吸附行为,重点考察了平均分布和正态分布两种不同链长分布形式的高分子在固液界面吸附构型的分布规律。发现高分子不同的链长分布形式,对高分子吸附构型的性质影响较大。正态分布的高分子体系中高分子的3种吸附构型(T ails,Loops和T rains)的浓度和数目比相同条件下平均分布的高分子体系内要低得多。特别是当高分子链节吸附能较低时,两者的差别非常大。平均分布的高分子体系高分子吸附构型对温度和高分子总链节浓度的变化更加敏感。T ails构型由于受到高分子链节热运动以及吸附层压缩作用的影响,在高温或高吸附作用能下,其密度分布表现出和其他两种吸附构型完全不同的形式。温度、高分子链节吸附作用能以及高分子总链节浓度对3种吸附构型的影响和单分散体系趋势一致,但是存在着定量的差别。     

水泥浆中高分子形态与失水关系的研究

以丙烯耽胺与丙烯磺酸钠共聚物(AwAs)、舟乙基纤维素(HEC)、聚氧化乙烯(PEO)三种水溶性高分子聚合物作水泥降失水剂,用不良溶剂来改变高分子形态,研究高分子在水泥装体系中的形态变化对水泥装降失水的影响,了解高分子降低水泥泉失水的作用机理。实验结果表明,当不良溶剂加童超过e溶剂中不良溶剂加童时,高分子在水泥颖杜表面的吸附、卷曲和沉淀,有利于堵塞失水通道,降低滤饼渗透率,水泥泉失水量大幅度减小。     

二元混合高分子刷溶剂响应特性的分子机制——密度泛函理论

采用加权密度近似密度泛函理论研究了二元混合接枝高分子刷在不同性质溶剂诱导下的垂直相分离情况。计算发现,对于具有一定相容性的等链长和等链节间相互作用能的二元混合接枝高分子刷,在非选择性溶剂中,不良溶剂使得高分子刷收缩,良溶剂使得高分子刷溶胀,但不会发生垂直的相分离;在选择性溶剂中,混合高分子刷可以在溶剂诱导下发生垂直相分离,亲溶剂的高分子链出现在高分子刷的表层,憎溶剂的高分子链蜷曲于高分子刷的底层,接枝高分子刷表现为亲溶剂性质;溶剂的选择性越大,两种接枝高分子链的相容性越差,越容易分层。     

高分子螯合树脂吸附动力学参数测定

通过实验研究了同种高分子螯合树脂对溶液中不同金属离子吸附和不同树脂对同种金属离子吸附的动力学曲线，得到吸附动力学方程的微分形式与积分形式；研究了温度对吸附速率的影响，结果表明温度对吸附速率的影响符合Arrhenius经验公式．为吸附动力学参数的测定提供一种有效的方法．     

硝酸铵催化的2,10-环氧蒎烷液相重排反应规律研究

研究了硝酸铵催化剂体系和溶剂对2,10-环氧蒎烷液相重排反应的影响．重点考察了催化剂分散状态、溶剂性质及溶剂用量对重排产物分布的影响．实验结果表明：用硅胶吸附的硝酸铵具有较好的活性,强极性的硝基甲烷溶剂中对于紫苏醇的选择性最好,而弱极性的氯仿和1,1,1-三氯乙烷则有利于桃金娘烯醇的生成．     

二元混合高分子刷溶剂响应特性的分子机制——密度 函理论

采用加权密度近似密度泛函理论研究了二元混合接枝高分子刷在不同性质溶剂诱导下的垂直相分离情况.计算发现,对于具有一定相容性的等链长和等链节间相互作用能的二元混合接枝高分子刷,在非选择性溶剂中,不良溶剂使得高分子刷收缩,良溶剂使得高分子刷溶胀,但不会发生垂直的相分离;在选择性溶剂中,混合高分子刷可以在溶剂诱导下发生垂直相分...     

药物从玻璃状高分子材料中的控制释放的数学模型

对药物从玻璃态高分子材料中扩散的机理进行了研究，将药物在高分子材料中扩散过程和溶剂在高分子材料中扩散过程中结合起来，同时考虑到溶剂的扩散引起材料粘弹性的改变，以及状态的改变对扩散的影响，最终得到一个刻画药物从不同状态高分子材料中扩散的模型，并且奇异摄动法进行了求解，所得结果与现有实验结果相符。     

粘度法确定高分子混溶性的判据及其关系

对用稀溶液粘度法确定不同高分子之间混溶性的Δ b判据、α判据和Δ [η]判据进行了深入的研究 ,发现三者虽然形式上有所不同 ,但是都从不同的侧面反映了不同高分子之间相互作用参数 k AB的值对不同高分子之间混溶性的影响。Δ [η]判据实际上反映的是 k AB绝对值的大小对不同高分子之间混溶性的影响 ;而Δ b判据和α判据反映的是 k AB相对值大小对不同高分子之间混溶性的影响。文章用Δ b判据和Δ [η]判据对聚甲基丙烯酸甲酯 (PMMA )和聚醋酸乙烯酯 (PVAc)在不同溶剂中的粘性行为进行了研究 ,发现溶剂的选择对溶液中不同高分子之间的混溶性有着非常大的影响     

小分子溶剂与液晶高分子相平衡理论研究（I）

从热力学角度研究了小分子溶剂与高分子混合体系的溶液－－液晶相平衡性质。研究发现，高分子链越长，形成液晶的极阴浓度越小；当高边节小于４．２时，体系不可能形成液晶。     

高分子催化剂催化α-烯烃的醛化反应——高分子链对催化剂活性的影响

用合成的新的高分子膦配位体(—CH_2-CH_()—)n,与RhH(CO)(PPh_3)_3进行交换反应,制备的高分子催化剂在催化已烯-1进行醛化反应时,发现了高分子线团的尺寸,高分子链的极性和活动性,以及溶剂效应等对高分子催化剂的活性和选择性有影响,催化侧基在高分子链上的取代程度对催化剂活性影响较小。     

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.     

Design and analysis of generic LBS application developing platform

Location based services is promising due to its novel working style and contents.A software platform is proposed to provide application programs of typical location based services and support new applications developing efficiently. The analysis shows that this scheme is easy implemented, low cost and adapt to all kinds of mobile nework system.     

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