可变偏心因子及对饱和蒸汽压计算的应用

一、前言 纯组分的饱和蒸汽压可用状态方程计算得到。当在使用状态方程方法计算相平衡及以热力学上一致性确定饱和态p-u-T关系时,这是十分有用的。本文从对比态原理讨论,认为偏心因子值是可变的。然后使用具有可变ω值的通用对比态方程计算正烷烃类饱和蒸汽压,得到了十分满意的精度。     

确定酮、醛、醚和含氮化合物第二维里系数的新方法

本文提出了一套新的用来确定酮、醛、醚和含氮化合物第二维里系数的新方法。在新的非极性流体预估式的基础上,应用对比态原理,给出了酮、醛、醚和含氮化合物极性流体的优化参数,并对其进行了经验关联,使本预估式能应用于大部分非氢键,弱缔合效应的极性流体。并且仅仅需要临界温度、临界压力、偏心因子和对比偶极距作为预估参数。预估结果与最新的高精度的实验数据符合得很好。     

一种新型的两态叠加多模Schrdinger猫态光场的等阶N次方Y压缩

本文根据量子力学的线性叠加原理,构造了由多模（即q模时目平态的相反态|｛｛－Zj｝〉q及多模虚相干态|｛｛－Zj｝〉q这两者的线性叠加所组成的一种新型的多模Schrodinger猫态光场利用新近建立的多模压缩态理论,研究了态的N次方Y压缩效应,结果发现：①当压缩阶数N＝Zp且p＝2m（m＝1,2,3,…,…）时,态。总是恒处于N－Y最小测不准态;②当压缩阶数N＝2p且p＝2m＋1（m＝0,1,2,3,…,…）时,如果各模的初始相位,态间的初始相位差以及各单模相干态光场的平均光子数之总和等满足一定的量子化条件,则态可呈现出周期性变化的、任意阶的N次方Y压缩效应;③当压缩阶数N＝2P＇＋1时,无论p＇＝2m（m＝0,1,2,…,…）还是p＇＝2m＋1（m＝0,1,2,3,…,……）,只要各模的初始相位满足一定的量子条件,则当两态叠加几率幅满足时,态就恒处于N－Y测不准态,始终不呈现N－Y最小测不准态和N次方Y压缩;而当时,态始终不呈现N－Y测不准态、N－Y最小测不准态和N次方Y压缩效应．     

一种新型的两态叠加多模Schrodinger猫态光场的等阶N次方Y压缩

本文根据量子力学的线性叠回后果色造了由多模（即ｑ模）相干态的相反态｜｛－Ｚｊ｝ｑ及多模虚相干态｜｛ｉＺｊ｝〉ｑ这两者的线性叠加所组成的一种新型的多模Ｓｃｈｒｏｄｉｎｇｅｒ猫态光场｜Ψ＾（２）〉ｑ,利用新近建立的多模压缩态理论,研究了态｜Ψ＾（２）ｑ的Ｎ次方Ｙ压缩效应。结果发现：（１）当压缩阶数Ｎ＝２ｐ且ｐ＝２ｍ（ｍ＝１,２,３,…,…）时,态｜Ψ＾（２）ｑ总是恒处于Ｎ－Ｙ最小测不准态;（２）当压缩     

第Ⅰ类两态叠加多模叠加态光场的非线性高阶压缩特性研究

本文在文献２０的基础上进一步提出了多模辐射场的Ｎ－Ｙ最小测不准态、Ｎ－Ｈ最小测不准态、Ｎ－Ｙ压缩最小测不准态以及Ｎ－Ｈ压缩最小测不准态等的定义．构造了由多模（ｑ模）相干态｜｛Ｚｊ｝＞ｑ及其相反态｜｛－Ｚｊ｝＞ｑ的线性叠加所组成的第Ⅰ类两态叠加多模叠加态光场｜ψ（２）１＞ｑ，利用文献２０新近提出的有关多模辐射场的两种非线性高阶压缩的定义，首次对态｜ψ（２）１＞ｑ的Ｎ次方Ｙ压缩及Ｎ次方Ｈ压缩效应进行了详细研究．结果表明，１）当Ｎ为偶数时，态｜ψ（２）１＞ｑ恒处于Ｎ－Ｙ最小测不准态；当Ｎ为奇数时，态｜ψ（２）１＞ｑ在一定条件下可呈现出周期性变化的、任意阶的Ｎ次方Ｙ压缩效应．２）当ｑ·Ｎ为偶数时，态｜ψ（２）１＞ｑ恒处于Ｎ－Ｈ最小测不准态；当ｑ·Ｎ为奇数时，在另外的条件下，态｜ψ（２）１＞ｑ则可呈现出周期性变化的、任意阶的Ｎ次方Ｈ压缩效应．３）Ｎ次方Ｙ压缩及Ｎ次方Ｈ压缩效应的压缩深度与腔模总数ｑ、压缩参数Ｒｊ以及压缩阶数Ｎ等非线性相关，后者与上述参量的非线性关联程度要比前者的更强．     

稳定的光谱不随电流变化而改变的白色有机发光器件

使用新材料构成了两种结构白色有机薄膜电致发光器件，一种是蓝色及红色发射在同一层中，另一种是蓝色发射和红色发射分别在两层中，器件结构分别为ITO／CuPc／NPB／JBEM（P）：DCJT／Alq／MgAg（器件1）和ITO／CuPc／NPB／JBEM（P）／Alq：DCJT／Alq／MgAg（器件2）。这里（CuPc）是空穴注入层；N，N’－bis－（1－naphthyl）－N，N’－diphenyl－1，1’bipheny1－4－4’－diamine（NPB）是空穴传输层（HTL）；9，10－bis（3’5’－diaryl）phenyl anthracene（JBEM）是蓝色发射层；tris（8－quinolinolato）aluminium complex（Alq）是电子传输层（ETL）；DCJT是红色染料。在器件1中得到稳定的且色度不随电流增在而变化的白色发射。它的最大亮度为14850cd/m^2，最大效率2．88lm/W，色度x＝0．31，y＝0．38（从4mA/cm^2到200mA/cm^2），半亮度寿命为2860小时（初始亮度1000cd/m^2）。比较了两种结构的器件，蓝红色发射在同一层结构的器件，在亮度、效率及稳定性上都优于蓝红发射在不同层结构的器件。     

物质的三个特性参数——构形因子、内压因子和极性因子以及它们的应用

本文根据液体分子理论和对比态原理,提出了反映物质结构、分子间相互作用及极性和缔合性的物质特性参数——构形因子、内压因子和极性因子.这些因子和目前已有的特性因子,如偏心因子ω和Stiel因子X等相比,其物理意义比较清晰、规律性较好,而且数值范围也适宜,初步应用的效果令人满意.     

定容高压气体的压缩因子

１前言压缩因子是比较实际气体与理想气体之差异的重要物理量，从某状态的压缩因子Ｚ可求出该状态下实际气体的Ｐ或Ｖ来。现在高压气体的Ｚ大多是在高压ＰＶＴ实验台上用定容测试方法（绝对法）测试出来。但测试过程耗时费资，在新型气态工质不断涌现的今天，一些特殊高压高温条件很难在实验中满足；而工程上则多从对比态原理出发，从两参量或三参量的普遍化压缩因子图中近似求出，显然，其系统误差一般较大，一般说来，高压气体的Ｚ是系统温度Ｔ，压力Ｐ和偏心因子。的函数Ｚ＝Ｚ（Ｔ，Ｐ），其解析形式一直是热物性工作者努力探求的目标，…     

利用量子对应态原理预测正仲氢输运性质

基于量子对应态原理并考虑氢同分异构体之间的结构差异,建立了适用于预测低温正氢与仲氢输运参数的数学模型,明确了对比黏度和对比导热系数与对比德布罗意波长之间的线性关系,并使用所建立数学模型预测了正氢与仲氢的黏度与导热系数。通过对计算结果的检验分析,发现量子对应态原理方法可以较准确地预测温度20¹00 K及压力0.01¹0 MPa范围内正氢、仲氢的黏度及导热系数。压力对模型的预测精度影响显著,当环境压力小于1 MPa时,对应态原理预测误差基本控制在6%以内。进一步修正模型中的物性常数修正有望提高对应态原理预测精度。     

Si｛111｝的吸附表面结构

利用低能电子衍射研究了金属和非金属吸附在Ｓｉ｛１１１｝表面的表面结构。结果显示出：对Ａｌ、Ｇａ、Ｂｉ和Ａｕ原子，形成α－Ｓｉ｛１１１｝３×３Ｒ３０°－Ｍ或β－Ｓｉ｛１１１｝３×３Ｒ３０°－Ｍ结构的共价吸附。对Ｌｉ、Ｎａ和Ａｇ原子，形成正离子吸附，全部经高温解吸后，便诱导出Ｓｉ｛１１１｝１×３重构。对Ｔｅ原子，形成负离子吸附，经高温解吸后，便诱导出Ｓｉ｛１１１｝类（１×１）结构。     

Vapour pressure of non-polar fluids and their repulsive and attractive contributions

Using a simple equation of state, based on the Weeks-Chandler-Andersen separation of the intermolecular potential, we have obtained the contributions of repulsive and attractive intermolecular forces to the thermodynamic properties of coexisting vapour and liquid phases of a Lennard-Jones (LJ) fluid.

In order to obtain the vapour pressure of real non-polar fluids, we take the LJ fluid as a reference model, and propose a new perturbative contribution, which is dependant on the temperature and on the acentric factor of the substance. Using the complete perturbed equation, we determine the corresponding repulsive and attractive contributions to the vapour pressure of non-polar fluids. The results show that the attractive vapour pressure of non-polar fluids increases with increasing acentric factor, i.e., larger deviation of the molecular shape from spherical symmetry.

This procedure could be extended to separate the repulsive and attractive contributions of the intermolecular forces to other thermodynamic properties of non-polar fluids as well as of polar fluids and fluid mixtures.     

Simple approach to approximate predictions of the vapor–liquid equilibrium curve near the critical point and its application to Lennard-Jones fluids

We propose a simple analytical form of the vapor–liquid equilibrium curve near the critical point for Lennard-Jones fluids. Coexistence densities curves and vapor pressure have been determined using the Van der Waals and Dieterici equation of state. In described method the Bernoulli differential equations, critical exponent theory and some type of Maxwell?s criterion have been used. Presented approach has not yet been used to determine analytical form of phase curves as done in this Letter. Lennard-Jones fluids have been considered for analysis. Comparison with experimental data is done. The accuracy of the method is described.     

Towards a unified view of fluids

It has traditionally been believed that, unlike normal fluids whose structural properties are determined primarily by the intermolecular short-range repulsive interactions, the properties of polar and associating fluids are strongly affected by the long-range Coulombic interactions. In the course of investigations to determine the primary driving forces governing the behaviour of various (non-simple) fluids, and hence to gain a deeper understanding of the molecular mechanisms leading to the development of theoretically based simple models and theory, extensive and systematic computer simulations have been performed on typical quadrupolar (carbon dioxide), dipolar (acetone and acetonitrile), and associating (hydrogen fluoride, methanol, and water) fluids using the available realistic effective pair potentials and their variants involving forces of different ranges. In addition to the main structural characteristics (one- and two-dimensional site–site correlation functions, local g factors, and radial slices through the full pair correlation function), the dielectric constants and the thermodynamic properties (internal energy and pressure) of both the homogeneous liquid and supercritical fluid phases, and vapor–liquid equilibria have also been considered. Furthermore, in the case of water, the diffusion coefficient and viscosity have also been considered along with water at the interface. All the obtained results lead to the unambiguous conclusion that the structure, defined in terms of the complete set of site–site correlation functions, for both polar and associating pure fluids is governed by the same molecular mechanism as for normal fluids, i.e. by the short-range interactions (which, however, may be both repulsive and attractive), whereas the long-range part of the electrostatic forces, regardless of their strength, plays only a marginal role and may be treated as a perturbation only. The consequences of these findings for theory and applications are also discussed.     

An equation of state contribution for dipolar and quadrupolar square-well fluids

A dipolar–quadrupolar contribution to the residual Helmholtz energy for a polar square well (a square well plus either a point dipole or a point quadrupole) fluid is developed based on the Padé approximation. Taking the square well system as reference, the contribution is formulated using an expansion for radial distribution function of the reference system. In addition to square well potential parameters the contribution depends only on dipole and quadrupole moments. This term is added as perturbation to a generalized equation of state for square well fluids. The results are then compared with the available simulation data in the literature. With the new equation obtained, it was possible to predict liquid–vapour equilibrium properties and critical properties of polar square well fluids more accurately than with available perturbation theories for multipolar square well systems. Application of the equation of state to a real dipolar (water) and a real quadrupolar (carbon dioxide) fluid indicated that the polar contribution greatly improved the predictions of saturation properties. Accurate prediction of critical properties for polar square well fluids remains as a challenge. This work can be useful in the development of better equations of state.     

Thermodynamics of pure and multicomponent dipolar hard-sphere fluids

The thermodynamics of two recent models of hard-sphere polar fluids is investigated. The two models are the Onsager model developed by Nienhuis and Deutch and the mean spherical approximation results obtained by Wertheim. The equation of state, vapour pressure curve, and other pertinent thermodynamic properties are determined. These results for the pure hard-sphere polar fluid complement the results recently reported by Rushbrooke, Stell and Høye. The thermodynamics of simple multicomponent hard-sphere polar mixtures is examined for the case of equal hard-sphere radii. Results for the multicomponent MSM are based on the exact solution of this model by Adelman and Deutch. The Onsager model is generalized to the case of many components. For both multicomponent models it is demonstrated that a variety of regions of instability exist for the one-phase fluid. Finally a discussion is included of how well these models agree with experiment.     

二甲醚专用状态方程的研究

在对二甲醚实验数据进行文献调研的基础上,运用生物进化优化算法开发了二甲醚的饱和蒸汽压、饱和液密度及饱和汽密度方程和 Helmholtz 状态方程.其中二甲醚的饱和蒸汽压、饱和液密度和饱和汽密度方程的平均绝对偏差分别为 0.50%、0.38%和 0.55%.新的 Helmholtz 状态方程计算密度的偏差在液相区为 0.1%以内,临界点附近为 l%,可以很好地用于工程计算.     

一个制冷工质的立方型状态方程

一个制冷工质的立方型状态方程吴之春,马一太,吕灿仁,高志明,王怀信（天津大学热能研究所天津３０００７２）关键词立方型状态方程,制冷工质１弓ｌ言立方型状态方程因其具有简单灵活、求解方便等优点,被广泛应用于实际工程计算。在制冷工程计算中较为常用的有ＲＫＳ...     

蒸气压对激光辐照靶材烧蚀速率的影响

研究了强激光辐照碳/碳复合材料靶材引起的烧蚀现象及蒸气压对烧蚀速率的影响。基于傅里叶定律,建立了强激光辐照靶材的热传导模型,模拟了忽略蒸气压影响时烧蚀速率随功率的变化;通过Mott-smith近似方法描述了Knudsen层间断区域,分析了间断两侧表面粒子状态参数;结合质量连续方程和蒸气压与温度关系方程,并由气体状态方程描述蒸气流状态,对蒸气压条件下激光烧蚀碳/碳复合材料靶材的速率随功率变化的关系进行了数值模拟。结果表明,在高能激光对靶材的烧蚀过程中,蒸气压力变化会导致靶材的饱和蒸气温度发生变化,进而影响烧蚀速率且使其随功率呈非线性变化,与忽略蒸气压作用时的线性变化规律相差较大,从理论上解释了忽略蒸气压导致的实验数据与理论结果的差异。     

纳米TiO2颗粒对电流变悬浮液中硅油的挥发增强效应

物理化学性能稳定的二甲基硅油常作为电流变液分散相, 当与纳米量级的介电颗粒混合组成电流变悬浮液时, 在非密闭环境下极易挥发, 时间足够长时, 可完全挥发. 本文通过实验研究了纳米二氧化钛颗粒对二氧化钛和硅油组成的悬浮液中硅油挥发增强现象, 分析表明, 纳米颗粒在电流变悬浮液的硅油气-液界面上形成纳米尺度的凸型曲面, 使液面上蒸气压大大提高, 导致挥发增强. 本文还对颗粒浓度, 环境温度和硅油黏度等对硅油挥发增强效应的影响进行了系统的研究和分析.