饱和态金属熔体热力学性质的计算

本文应用聚集硬球引力场模型状态方程和饱和液态状态方程分别计算了五种碱金属熔体的饱和气体和饱和液密度。另外，还基于Clapeyron方程应用Rankine蒸气压方程与状态方程计算了金属熔体的气化热．上述计算结果都非常满意。     

HFC-32饱和气导热系数的实验研究

1研究背景自《蒙特利尔议定书》签定后，特别是1992年11月哥本哈根会议以来，HCFCS的替代日程已经确定。目前以含有HFC－32的混合物替代HCFC－22的呼声很高，而且国外正开始着手应用。有关HFC－32的饱和气的导热系数现在还没有见文献报导。在本文中，作者自行开发设计了一套双热线法测量导热系数的实验装置，并对HFC－32的饱和气的导热系数进行了测量，经分析测量结果是令人满意的。2实验装置及实验原理热线法是测量导热系数的瞬态方法之一，其基本原理是Carslaw提出的半径趋于零的无限长线热源在无限大介质中的导热方程的解山文献…     

HFC-143a和HFC-236fa饱和蒸气压的实验研究

改进了Burnett法PVTx性质实验台,温度和压力测量的最大不确定度分别为±10 mK和±400 Pa。精确测量了50组HFC-143a的饱和蒸气压实验数据,提出了一个5项的HFC-143a饱和蒸气压方程,适用于161.34 K到临界温度。与文献数据比较表明,改进后的实验台精度令人满意。测量了77组HFC-236fa的饱和蒸气压实验数据,温度范围为253-396 K,压力范围为44-3064 kPa。根据本文实验结果,拟合得到了一个Wagner型饱和蒸气压方程,与文献数据进行了比较,计算得到了HFC-236fa的正常沸点和偏心因子值。     

三氟碘甲烷的新气相状态方程和输运物性

提出了三氟碘甲烷（ＣＦ３Ｉ）的新蒸气压方程和新状态方程；给出了ＣＦ３Ｉ的偏心因子、正常沸点等物性参数，并与文献值进行了比较．使用毛细管粘度计测量了ＣＦ３Ｉ的２５３～３３８Ｋ的饱和液粘度，采用以钽丝为热线的双线瞬态热线法测量了ＣＦ３Ｉ的气相导热系数，并分别给出了关联式．     

HFC143a的热力学性质研究

1引言鉴于HFC143a在CFCs替代中的意义以及早期PVT实验数据的缺乏与误差，近期文献［l－7］报导了对该物系所做PVT实验研究，但尚缺乏整理与关联。本文在补充测量部分数据的基础上对已有数据进行关联综合，并进行热力学性质计算。2实验结果实验用定容式PVTx装置的一般测量精度为IAT【528inK、IAPD51．4kPa和卜对yiS0．1％，采用直接观察泡点法测量饱和液体密度精度为卜TIS38inK和卜p／pl三0．05％【‘－‘」。HFC143a样品为美国环保局提供，纯度99．95mass％。实验结果见表1－2。表IHFC143a的饱和蒸汽压实验结果表2HFC143a的…     

HFC 152a热力性质表的研制

HFC152a(CH_3CHF_2)做为氯氟烃CFC12的可能替代物受到全世界的关注。考虑到目前国际上已发表的有关热力性质不很全面,为此,作者选用高精度的HFC152a专用状态方程、蒸汽压方程、饱和液体密度方程和理想气体比热方程,并用余函数方法求得了比热、焓、熵计算式,导出了音速、等熵膨胀指数、焦耳-汤姆逊系数的微积分关     

纯物质汽液平衡的统计热力学研究

本文用统计热力学方法导得了液体饱和蒸气压与蒸发热间的关系式。液相的正则配分函数采用了普遍化ＶａｎｄｅｒＷａａｌｓ配分函数，液体分子的内配分函数被假定为独立子的内配分函数与一个相互作用因子的乘积，这个因子仅为液体密度的函数，且随密度的减小而逐渐趋近于１。     

饱和蒸气密度、焓和蒸发潜热的通用对比态推算式

本文提出了新的饱和蒸气密度的通用对比态推算式,并分别以标准沸点下的蒸发潜热和临界温度与标准沸点温度之差为基准,对蒸发潜热和温度无量纲化导出了工质蒸发潜热通用对比态方程,结合饱和液体焓通用对比态方程导出了饱和蒸气焓通用对比态方程,揭示出饱和蒸气焓通用对比态方程为双变量函数,除有温度变量外还包含有表示物质差异的变量。对多种物质的文献值计算比较,以上方程的总的平均绝对偏差分别为0.43％、0.87％和O.35％。     

一个新的对比饱和蒸气压方程

一、前言 目前,大多数饱和蒸气压方程都是在克拉贝隆-克劳修斯方程的基础上,假定△H_v和△Z_v随温度呈一定的变化关系并加以修正再进行积分得出的,例如Riedel方程、Miller方程、Thek-Stiel方程、Gomez Nieto-Thodos方程和徐忠方程等。本文在总结前人工作的基础上,从统计力学的角度,对分子结构及分子间作用力进行适当简化,先用分析的方法导出饱和压力随温度变化关系的基本函数形式,再用最小二乘回归的方法拟合出一套系数,从而得到纯流体从三相点到临界点的饱和蒸气压方程。     

毛细管公式和弯曲液面上方饱和蒸气压公式

本文利用压强遵循玻耳兹曼分布律，导出毛细管公式和弯曲液面上方饱和蒸气压公式，并指出某些热学书中的毛细管公式和弯曲液面上方饱和蒸气压公式只适用于蒸气（或气体）密度远小于液体密度的情况．     

适用于整个区域的HFC-227ea状态方程

基于现有的pvT和导出性质实验数据,拟合了一个HFC-227ea的35项专用状态方程。本方程适用于HFC-227ea压力从零至65MPa,密度从零至1730 kg.m_-3,温度从204至423 K整个流体区域的热力学性质计算。通过与实验结果比较,检验了对HFC-227ea各种热力学性质的计算精度,包括pvT性质、比定压热容、声速、焦汤系数、饱和蒸气压等,结果表明本方程具有很高的精度。     

Experimental study of pressure and density of saturated and superheated vapor of refrigerant R-236ea from 20 to 150 °C

The saturation pressure, pressure and density of superheated vapor of 1,1,1,2,3,3-hexafluoropropane (HFC-236ea, R-236ea) were studied by an isochoric piezometer within the temperature range of 294–423 K up to the pressure of 4.0 MPa. The uncertainties of temperature, pressure, and density measurements were estimated as ±20 mK, ±1.5 kPa, ±(0.1–0.2) %, and ±(0.1–0.2) %, correspondingly. The purity of studied samples was 99.68 mass %. The obtained experimental data are shown as tables and analytical equations. Coefficients of the virial state equation were calculated for R-236ea on the basis of these data. The work was financially supported by the Russian Foundation for Basic Research (Grant No. 04-02-16355).     

Finite Size Effect in Path Integral Monte Carlo Simulations of 4He Systems

Path integral Monte Carlo (PIMC) simulations are a powerful computational method to study interacting quantum systems at finite temperatures. In this work, PIMC has been applied to study the finite size effect of the simulated systems of ⁴He. We determine the energy as a function of temperature at saturated-vapor-pressure (SVP) conditions in the temperature range of T∈[1.0 K, 4.0 K], and the equation of state (EOS) in the ground state for systems consisted of 32, 64 and 128 ⁴He atoms, respectively. We find that the energy at SVP is influenced significantly by the size of the simulated system in the temperature range of T∈[2.1 K, 3.0 K] and the larger the system is, the better results are obtained in comparison with the experimental values; while the EOS appeared to be unrelated to it.     

HFC—32饱和液粘度的试验研究

ＨＦＣ—３２饱和液粘度的试验研究孙立群，朱明善，韩礼钟，林兆庄（清华大学热能工程系北京１０００８４）关键词粘度，替代物，热物性，ＨＦＣ—３２１试验装置及试验原理本文所采用的毛细管法试验装置参见图１［１］。根据哈根—泊肃叶（Ｈａｇｅｎ－Ｐｏｉｓｅｕｉｌ...     

Fourier Transform Spectrum and Term Values for the CO-Stretching Mode of CD3OH Methanol

The Fourier transform infrared (FTIR) spectrum of the CO-stretching fundamental band of CD₃OH has been recorded at a resolution of 0.002 cm^-1. Assignments are reported for 35 subbands in the n = 0 ground torsional state, covering K = 0 to 9 for all torsional symmetries plus K = 10 A, and 12 assorted A and E subbands in the n = 1 first excited torsional state ranging from K = 0 up to K = 5. The subband wavenumbers have been fitted to J(J + 1) power-series energy expansions to obtain subband origins and a compact representation of the spectral observations. With the use of known ground-state energies, CO-stretch energy term values have been determined and tabulated. Least-squares fitting of the subband origins to a fourth-order Hamiltonian model for the CO-stretch mode is discussed.     

Direct molecular-level Monte Carlo simulation of Joule—Thomson processes

We present an application of the recently developed constant enthalpy-constant pressure Monte Carlo method [SMITH, W. R., and LÍSAL, M., 2002, Phys. Rev. E, 66, 01114] for the direct simulation of Joule-Thomson expansion processes using a molecular-level system model. For the alternative refrigerant HFC-32 (CH_{2F 2}), we perform direct simulations of the isenthalpic integral Joule-Thomson effect (temperature drop) resulting from Joule-Thomson expansion from an initial pressure to the representative final pressure of 1 bar. We consider representative expansions from single-phase states yielding final states in both single-phase and two-phase regions. We also predict the dependence of T(P, h) and of the Joule-Thomson coefficient, μ (P, h), on pressure along several representative isenthalps, as well as points on the Joule-Thomson inversion curve. HFC-32 is modelled using a five-site potential taken from the literature, with parameters derived from ab initio calculations and vapour-liquid equilibrium data. The simulated results show excellent agreement with those calculated from an international standard equation of state.     

金属铍热力学性质的理论研究

使用第一性原理方法结合平均场模型研究了压力从0到150GPa、温度从0到1500K，金属铍六角密排结构(hcp)的热力学性质，包括铍的常态性质，等温高压物态方程，以及常压下平衡体积、体弹模量随温度的变化，Hugoniot曲线等.0K物态方程由广义梯度近似下的密度泛函理论计算，粒子热运动的贡献由平均场模型计算.由于铍的Debye温度比较高，计算自由能时考虑了零点振动能修正.计算结果与已有的静力学和冲击波实验数据符合得非常好. 关键词： 热力学性质 物态方程 第一原理计算     

高温高压下湿空气的焓和熵计算

本文以湿空气透平和压缩空气储能系统中的工质-湿空气为研究对象,运用所提出的一个适合计算高温高压湿空气热力学性质的对应态维里方程,对湿空气的偏差焓和偏差熵进行了计算.在湿度0≤ W≤1 kg/kg(A),温度小于573.15 K,压力小于5 MPa时,与ASHRAE用的多项式维里方程计算得到的偏差焓和偏差熵进行了比较,误差很小.用这个对应态维里方程外推计算了温度和压力分别达到600 K和15 MPa的湿空气焓和熵.计算结果表明对湿空气而言压力和湿度越大,偏差焓和偏差熵越大;温度越高,偏差焓和偏差熵越小.     

钙钛矿CaTiO3的超高压结构研究

利用同步辐射x射线衍射和 DAC 高压技术在室温下测量了钙钛矿CaTiO₃在压力0—44.53 GPa下的结构变化.结果表明，随着压力的增加CaTiO₃的三个晶轴都受到不同程度的压缩，a,b的压缩率相近且相对比较大，c的压缩率最小，但没有证据表明有相变的发生.在压力范围内CaTiO₃的P-V关系用Murnaghan状态方程表示，设定K′0=4，得到V0=0.2245(6)nm3和K0=222(9) GPa.应用赝立方角γpc与压力的关系，初 关键词： 3')" href="#">CaTiO₃ 结构 超高压 状态方程     

Numerical Solution of the spin-3/2 Heisenberg Antiferromagnetic Chains Using a Projector Method

An efficient projector method is used to calculate the energies of the ground state and the first excited state, and hence the energy gap between them, of the spin-3/2 Heisenberg antiferromagnetic chains with linear sizes up to N = 32. For the chains up to N = 8 the exact results are obtained, and for longer chains up to N = 32 they are estimated by imposing on Monte Carlo technique. It is found that the size dependence of the ground state energy per site has the form of [eo(N) - eo] ～ 1/N², and the value of the ground state energy per site as N→∞ is eo = -2.8248. Our results show that the energy gap trends to zero as N→∞, which is consistent with the rigorous proof.