超临界CO_2中正烷烃溶解行为的多尺度计算机模拟

利用分子动力学和耗散粒子动力学相结合的多尺度计算机模拟方法研究正烷烃在超临界CO2中的溶解行为.先在微观尺度利用分子动力学模拟方法计算得到超临界CO2和正烷烃的密度及溶度等物性参数,再构造耗散粒子粗粒化模型,利用耗散粒子动力学模拟C39在超临界CO2中的溶解行为,通过直观图像及序参量对其溶解行为进行表征,并计算C39在超临界CO2中的最小混相压.     

基于OpenFOAM的超临界CO2流动与传热求解器的开发与验证

超临界CO2(sCO2)可作为能量转换工质用于4代堆,使用sCO2不但能提高能量转换效率,而且可以大幅缩小设备尺寸.不过,由于sCO2的物性很特殊,目前尚没有成熟的工具来模拟sCO2的流动与传热.本文使用开源计算流体力学工具OpenFOAM,经过对热物理模型的改写与编译,开发了适用于sCO2流动与传热的专用求解器sCO...     

D型管内超临界CO2对流换热

D型管换热器应用于快速气冷堆超临界CO2循环中,对其对流换热特性研究显得尤为重要.通过计算流体力学软件FLUENT,对超临界CO2在竖直D型管中的对流换热进行了计算研究,并与相同当量直径的圆管进行比较.分析热流密度、质量流量、当量直径等参数对超临界CO2对流换热的影响.结果表明,冷却条件下,CO2流体主体达到临界温度前,局部换热系数达到最大值.CO2流量和通道当量直径的变化对传热具有较大影响,冷却水质量流量影响较弱.     

CO2二元体系临界性质计算方法的研究

建立了计算二元混合物临界温度Tcm的公式和温度的二元相互作用参数kTij的表达式,用这两个表达式计算了超临界CO2分别与甲苯、环己烷、乙醇、甲醇、正丁醛、异丁醛等组分六对二元复合体系的临界温度,并与其他方法的计算结果进行了对比.结果表明文中所建立的表达式能够较好地对实验数据进行拟合,证明了公式的可靠性;同时还根据混合规则am中kaij的表达式,确定了表达式系数并结合RK-EOS对六组超临界CO2的二元复合体系的临界压力数据进行了拟合,结果令人满意.     

注超临界CO_2开采高温废弃气藏地热机制与采热能力分析

高温废弃气藏具有巨大的地热开采潜力。在对比分析超临界CO2和常规携热介质水的热物性基础上,提出注超临界CO2开采高温废弃气藏地热的方法。利用数值模拟方法对CO2在高温废弃气藏中的采热能力及影响因素进行评估。结果表明,由于CO2具有很高的可注性和流动性,超临界CO2的采热速率可达到水的1.5倍;利用CO2循环开采高温气藏地热,不仅可以实现高效地热开发,还可以实现CO2地质埋存;对废弃气藏而言,可以充分利用现有井网和地面设施,减少初期资本投入,实现高温废弃气藏地热的有效和经济开发,进一步提高气藏的利用价值,延长其经济寿命。     

超临界二氧化碳喷射压裂孔内流场特性

为了证实利用超临界二氧化碳(CO2)流体进行喷射压裂的可行性,利用Span-Wagner气体状态方程建立超临界CO2流场的计算流体力学模型,模拟超临界CO2喷射压裂过程中的孔内流场。结果表明:在喷嘴压降相同的条件下,与水射流相比,超临界CO2射流的射流速度更高,射流核心区更长;超临界CO2喷射压裂具有比水力喷射压裂更强的射流增压效果,更容易压开地层;超临界CO2射流具有显著的焦耳-汤姆逊效应,会导致温度下降,在压裂施工中应合理控制喷嘴压降,以防发生冰堵事故;超临界CO2的密度主要受压力影响,通过调节压力就能有效控制,可适应不同的地层温度条件。     

CO2-H2O-茶多酚三元体系相平衡的研究

利用定态流动法对超临界CO2萃取茶多酚水溶液进行研究,测定茶多酚水溶液在CO2中的溶解度数据,采用P-R状态方程对文献中SVE体系中茶多酚在超临界CO2溶解度数据,得到相应的二元相互作用参数k1 3,结合40℃下茶多酚水溶液在超临界CO2中的溶解度数据得到的k 23,预测茶多酚水溶液的相平衡数据。计算值和实验值比较结果表明:P-R状态方程模型计算值和实验数据吻合较好。     

固体溶质在含夹带剂超临界CO2中溶解度的计算

针对超临界流体萃取技术是一种绿色新型分离技术的特点,选用适合超临界体系特点的状态方程、混合规则及方程参数的计算方法,建立了计算溶质在含和不含夹带剂的超临界CO2中溶解度的数学模型,并给出了模型的计算过程。     

超临界流体中声空化泡的特性研究

根据物质的临界点物性参数,提出了在超临界流体中人为植入空化核的原则和方法.从超临界流体静压力高、表面张力小、空化泡内无蒸汽等物性特点出发,根据瑞利模型分析导出了超临界流体的空化阈值.考虑超临界流体具有很强的可压缩性,结合其物性特点,给出了能够用于超临界流体空化计算分析的简化Gilmore方程.根据美国国家标准局提供的超临界二氧化碳流体的物性数据,拟合出密度-压力关系式及声速-压力关系式,并用于Gilmore方程的计算.计算分析了超临界二氧化碳流体中空化泡的初始半径、流体温度、声压幅值、声波频率等因素对空化过程的影响.研究表明:超临界流体的空化阈值与其静压力相当;超声波声压幅值超过超临界流体的空化阈值后,气泡在超声波作用下的运动特征与在水等常规液体中的空化泡运动特征相同.     

超临界水中碳酸钾成核机理的分子动力学模拟

针对超临界水对催化剂成核过程的影响机制问题,采用分子动力学模拟方法系统研究K2,CO3在不同温度和密度的超临界水中的成核过程.通过对体系的相互作用能、径向分布函数、配位数及体系氢键网络结构变化的分析,揭示了在K2,CO3成核过程中K+、CO32-与水分子间的相互作用机理.结果表明:在超临界态下,随着温度的升高、密度的降低,水溶液体系氢键结构破坏,水分子与K+和CO32-的作用急剧降低,K+和CO32-在静电作用下可冲破水分子的静电屏蔽,从而碰撞聚合形成离子对,继而进一步团聚成核;体系温度越高、密度越小,K2,CO3越易形成小而分散的团簇.     

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