简单流体和烷烃表面张力的梯度理论模型

利用比容平移修正后的Peng-Robinson状态方程和密度梯度理论建立了简单流体和烷烃的表面张力的理论模型,并提出了适合于这一类纯物质的作用因子通用关联式。对3种简单流体和21种烷烃的表面张力的计算结果表明, 利用新的作用因子关联式结合梯度理论模型能在广泛温度范围内高精度地再现纯物质的表面张力,总的平均绝对偏差为 0．19 mN·m-1,计算精度可以满足工程应用的需要。     

一般流体及含超临界组元混合物表面张力密度梯度理论模型

表面张力是非常重要的物性参数之一,特别对于沸腾和凝结换热的计算是必不可少的.但目前的研究成果主要集中于纯物质,对有重要工程应用前景的混合工质研究还很少.本文应用密度梯度理论,结合比容平移后的Peng-Robinson方程建立了混合物的表面张力模型,该模型不含有任何需要表面张力实验数据回归确定的经验可调系数.计算结果表明,本文建立的模型具有很好的通用性和计算精度,能在广泛的温度范围内较好地再现一般流体混合物和含超临界组元混合物的表面张力数据.     

中子星物质中的K介子凝聚

用密度相关的相对论平均场理论计算了中子星物质中的K介子凝聚,结果表明中子星物质发生K介子凝聚的临界密度约为2.75ρ₀.中子星物质URCA过程发生的临界密度在考虑DB核物质中核子自能动量修正时为ρρ0≈3.16,在不考虑DB核物质中核子自能动量修正时为ρρ0≈2.25,并进一步计算了密度相关的相对论平均场理论两种参数形式对中子星物质状态方程的影响.     

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.     

密度分布形式对Glauber模型计算σR的影响

描述了利用Glauber模型计算反应截面的一种方法 .该方法对Glauber模型中输入的密度分布形式进行了修正 ,计算了丰质子同中子核素 (N =3 )的激发函数 .对于该同中子素链 ,采用修正的密度分布得到的激发函数与HO分布得到的激发函数相比 ,在大于 1 0 0MeV/u的能量区域 ,两者都与实验值符合得很好 ,而在中能区 (小于 1 0 0MeV/u) ,用修正的密度分布计算得到的激发函数与实验值之间的差距较HO分布明显减小 ,并保持对所有计算的核核芯密度基本相同 .     

改进的Glauber模型对奇异核反应总截面数据的拟合

利用Glauber模型对奇异核的反应总截面进行计算时,对模型进行了有限程修正和库仑修正,并对奇异核输入的密度采用了核芯加价核子的形式,使得理论与实验在中高能下都得到了很好的符合.     

密度分布形式对Glauber模型计算δR的影响

描述了利用Glauber模型计算反应截面的一种方法。该方法对Glauber模型中输入的密度分布形式进行了修正，计算了丰质子同中子核素（N=3）的激发函数。对于该同中子素链，采用修正的密度分布得到的激发函数与HO分布得到的激发函数要比，在大于100MeV/u的能量区域，两者都与实验值符合很好，而在中能区（小于100MeV/u)，用修正的密度分布计算得到的激发函数与实验值之间的差距较HO分布明显减小，并保持对所有计算的核核芯密度基本相同。     

任意温度密度下的原子结构计算

本文用含有电子自作用修正的TF势求解了任意温度物质密度下的Schrodinger波动方程。为了能够处理相对论效应,波动方程中又引入了质速修正项和Darwin项以及自旋-轨道耦合修正项。本文着重计算了Fe、Rb在几种温度密度下的情况,并在表中给出了计算结果与更准确结果的比较。用现行方法获得的数据与HFS方法的结果也是可以媲美的。     

利用改进的Glauber模型对非奇异核核反应总截面数据的拟合

在对反应总截面的理论计算中,现有的理论计算值与实验数据在高能区可以很好的符合，但在中能区理论值低于实验值约10％—20％.通过对计算核反应总截面的Glauber模型加入有限程修正，并对输入的核物质密度分布采用双参数的费米密度分布形式.计算结果表明，理论计算值对于没有奇异结构的核在低中能区和高能区，都与实验数据很好符合.     

流体流动的二次压力修正算法

本文在SIMPLE方法的基础上提出了一种有效的改进措施——二次压力修正算法,较好地解决了SIMPLE算法中压力修正方程只能较好地修正速度而不能很好地修正压力的问题。对突扩管道流动的数值表明,该方法可以明显地加快收敛速度,提高计算精度和节省计算机时。     

HFC混合物二元交互作用系数研究

目前国际上已商业化使用或提出的潜在的环保工质,大多数为氢氟烃(HFC)混合物,利用状态方程描述混合工质热力性质时,交互作用系数是重要参数之一。本文应用Peng-Robinson状态方程对多种HFC二元混合物的气液相平衡(vapor—liquid equilibrium,VLE)实验数据进行了回归,得到了相应混合物的交互作用系数。提出了交互作用系数新关联式,结果表明所得到的交互作用系数能很好的应用于描述HFC混合物气液相平衡性质,计算精度可以满足工程应用的需要。     

Numerical investigation on acoustic cavitation characteristics of an air-vapor bubble: Effect of equation of state for interior gases

The cavitation dynamics of an air-vapor mixture bubble with ultrasonic excitation can be greatly affected by the equation of state (EOS) for the interior gases. To simulate the cavitation dynamics, the Gilmore-Akulichev equation was coupled with the Peng–Robinson (PR) EOS or the Van der Waals (vdW) EOS. In this study, the thermodynamic properties of air and water vapor predicted by the PR and vdW EOS were first compared, and the results showed that the PR EOS gives a more accurate estimation of the gases within the bubble due to the less deviation from the experimental values. Moreover, the acoustic cavitation characteristics predicted by the Gilmore-PR model were compared to the Gilmore-vdW model, including the bubble collapse strength, the temperature, pressure and number of water molecules within the bubble. The results indicated that a stronger bubble collapse was predicted by the Gilmore-PR model rather than the Gilmore-vdW model, with higher temperature and pressure, as well as more water molecules within the collapsing bubble. More importantly, it was found that the differences between both models increase at higher ultrasound amplitudes or lower ultrasound frequencies while decreasing as the initial bubble radius and the liquid parameters (e.g., surface tension, viscosity and temperature of the surrounding liquid) increase. This study might offer important insights into the effects of the EOS for interior gases on the cavitation bubble dynamics and the resultant acoustic cavitation-associated effects, contributing to further optimization of its applications in sonochemistry and biomedicine.     

电子束对LY12硬铝的损伤效应

对LY12硬铝受到电子束辐照时产生的热激波及材料的损伤破坏效应进行了理论计算,将计算值同实验结果进行比较,二者基本上是一致的。在研究中等能量沉积产生材料的破坏效应时,应适当考虑材料的熔化过程,所用的状态方程是GRAY三相状态方程,而在研究材料的损伤破坏时,我们修正了计及损伤效应的Bodner-Partom本构模型。     

The equation of state of QCD under hard-dense-loop approximation

Based on the method proposed by Zong et al.,we calculate the equation of state(EOS) of QCD at zero temperature and finite quark chemical potential under the hard-dense-loop(HDL) approximation.A comparison between the EOS under HDL approximation and the cold,perturbative EOS of QCD proposed by Fraga,Pisarski and Schaffner-Bielich is made.It is found that when μ is less than 4.7 GeV,the pressure density calculated using HDL approximation is much larger than that calculated using pertur-bation theory.This enha...     

Modification of Tao–Mason equation of state to ionic liquids

In our previous paper, we extended the Tao and Mason equation of state (TM EOS) to refrigerant fluids, using the speed of sound data. Here, we predict the equation of state for ionic liquids (ILs). The considered ILs are [Bmim][PF₆], [C₂mim][NtF₂], [C₃mim][NtF₂], [C₆mim][NtF₂], [C₇mim][NtF₂], [C₂mim][EtOSO₃], [Bmim][MeSO₄], [Bmim][OcSO₄], and [C₄mim][dca]. The equation of state consists of three temperature-dependent parameters: the second virial coefficient, a constant for scaling the softness of repulsive force, and an effective hard-sphere diameter equivalent to the van der Waals co-volume. The second virial coefficients of ILs are scare and there is no accurate potential energy function to allow their theoretical calculation. In this work, the second virial coefficient have been calculated using corresponding states correlation based on temperature and density at normal boiling point. The other two parameters of the equation of state can be calculated using a scaling rule. Analysis of our predicted results shows that the Tao?CMason equation of state is capable of accurately predicting the density of ILs at any temperature and pressure. The overall average absolute deviation densities for 1,633 data points are 2.05%. Also, the density of ILs obtained from the TM EOS has been compared with those calculated from vdW?CCS?C?? and Peng?CRobinson (PR) equation of state. Our results are in favor of the preference of the TM EOS over the two other equations of state. The overall average absolute deviation for 1,633 data points calculated by vdW?CCS?C?? and PR equation of state are 6.63% and 12.19%, respectively.     

混合物物态方程的计算

 在采用体积相加原理计算混合物物态方程的基础上,建立了一种物理模型确定混合物温度。根据混合物中各组分温度和压强平衡条件,采用压强-密度迭代方法计算给出混合物物态方程,编制了两种组分的混合物物态方程计算程序。为检验建立的温度模型的合理性及程序的有效性,分析了不同密度、温度状态的氢（H2）和钨（W）组成的混合物状态参量,计算了以下情形及其组合情形的混合物物态方程：H₂和W以不同质量比混合;质量比固定,单组分状态不同;温度区间和密度区间不同。研究表明:实际应用中在建立的混合物温度模型基础上确定的混合物物态方程是合理的。     

Equation of state and P-V-T properties of polymer melts based on glass transition data

This paper addresses a method for predicting the participating constants in equation of state (EOS) for compressed polymeric fluids using two scaling constants. The theoretical EOS undertaken is Ihm-Song-Mason (ISM), which is based on the Weeks-Chandler-Anderson (WCA), and the two constants are the surface tension γ_g and the molar density ρ_g, both at the glass transition point. There are three temperature-dependent quantities that are required to use the EOS: the second virial coefficients B₂(T), an effective van der Waals co-volume, b(T) and a correction factor, α(T). The second virial coefficients are calculated from a two-parameter corresponding states correlation, which is constructed with two constants as scaling parameters, i.e., the surface tension γ_g and molar density ρ_g. This new correlation has been applied to the ISM EOS to predict the volumetric behavior of polymer melts including polypropylene (PP), poly(ethylene oxide) (PEO), polystyrene (PS), poly(vinyl methyl ether) (PVME), and polycarbonate bisphenol-A (PC) at compressed states. The operating temperature range is from 311.5 to 603.4 K and pressures up to 200.0 MPa. Other two-temperature-dependent parameters α(T) and b(T) appearing in the ISM EOS, are calculated by scaling rules. It was found that the calculated volumes agree well with the experimental values. A collection of 421 data points has been examined for the aforementioned polymers. The average absolute deviation between the calculated densities and the experimental densities is of the order of 0.6%. The newly obtained correlation has been further assessed through a detailed comparison against previous correlations proposed by other researchers.     

非理想性参数在0.9～2.1区的氩等离子体物态方程研究

采用平面冲击压缩方法产生密度和温度都均匀的氩等离子体,根据辐射高温计记录和飞片速度的测定,通过阻抗匹配方法确定了氩等离子体的Hugoniot物态方程,等离子体温度在1.5 eV～2.6 eV范围,压力在0.2～0.8 GPa之间.计算表明,Saha-Debye-Hückel模型不适用于描述该密度区域的氩等离子体.本文采用Gryaznov模型的计算结果,测量值和理论计算结果符合较好.     

盐石结构MgO的状态方程的第一原理计算

利用平面波密度泛函理论研究了盐石结构MgO的状态方程,所得到的结果与实验值和其他作者的计算值符合很好.同时,还研究了热膨胀系数随温度和压强的变化关系.结果显示:在高压下,温度对盐石结构MgO热膨胀系数的影响很小.