制冷剂过热气体热力性质的隐式拟合方法

准确、快速、稳定地计算制冷剂热力性质是计算机辅助设计和工程计算的要求。本文将 隐式拟合方法与Ｍａｒｔｉｎ－Ｈｏｕ方程相结合,提出制冷剂过热气体热力性质的隐式拟合方法,该方法 不仅具有形式统一、精度高、速度快、外推性和稳定性好的优点,而且保证了过热区与两相区之间 热力性质的连续性。     

Stationary states of crystal growth in three dimensions

A new Markov process describing crystal growth in three dimensions is introduced. States of the process are configurations of the crystal surface, which has a terrace-edge-kink structure. The states are continuous along edges but discrete across edges, in accordance with the very different rates for the two types of captures of particles. Stationary distributions, describing steady crystal growth, are found in general. To our knowledge, these are the first examples of stationary distributions for layered crystal growth in three dimensions. The steady growth rate and other quantities are obtained explicitly for two interacting edges. For many interacting edges, growth behavior is determined (a) in various asymptotic regimes including thermodynamic limits, (b) via simulations, and (c) using series (cluster) expansions in the slope of the surface, the first three coefficients being computed. The theoretical growth rates show a marked dependence on surface dimensions. This may contribute to the size dependence and dispersion in the observed growth rate of small crystals.     

Influence of the tangential velocity on the compressible Kelvin−Helmholtz instability with nonequilibrium effects

Kelvin−Helmholtz (KH) instability is a fundamental fluid instability that widely exists in nature and engineering. To better understand the dynamic process of the KH instability, the influence of the tangential velocity on the compressible KH instability is investigated by using the discrete Boltzmann method based on the nonequilibrium statistical physics. Both hydrodynamic and thermodynamic nonequilibrium (TNE) effects are probed and analyzed. It is found that, on the whole, the global density gradients, the TNE strength and area firstly increase and decrease afterwards. Both the global density gradient and heat flux intensity in the vertical direction are almost constant in the initial stage before a vortex forms. Moreover, with the increase of the tangential velocity, the KH instability evolves faster, hence the global density gradients, the TNE strength and area increase in the initial stage and achieve their peak earlier, and their maxima are higher for a larger tangential velocity. Physically, there are several competitive mechanisms in the evolution of the KH instability. (i) The physical gradients increase and the TNE effects are strengthened as the interface is elongated. The local physical gradients decrease and the local TNE intensity is weakened on account of the dissipation and/or diffusion. (ii) The global heat flux intensity is promoted when the physical gradients increase. As the contact area expands, the heat exchange is enhanced and the global heat flux intensity increases. (iii) The global TNE intensity reduces with the decreasing of physical gradients and increase with the increasing of TNE area. (iv) The nonequilibrium area increases as the fluid interface is elongated and is widened because of the dissipation and/or diffusion.     

First-principles calculations for transition phase and thermodynamic properties of GaAs

The transition phase of GaAs from the zincblende (ZB) structure to the rocksalt (RS) structure is investigated by ab initio plane-wave pseudopotential density functional theory method, and the thermodynamic properties of the ZB and RS structures are obtained through the quasi-harmonic Debye model. It is found that the transition from the ZB structure to the RS structure occurs at the pressure of about 16.3\,GPa, this fact is well consistent with the experimental data and other theoretical results. The dependences of the relative volume V/V₀ on the pressure P, the Debye temperature \Th and specific heat C_V on the pressure P, as well as the specific heat C_V on the temperature T are also obtained successfully.     

广义热波长:定义、意义和应用

光子气体和低温下强简量子气体都不是经典理想气体,通常的热波长没有意义.但是,它们存在每个粒子的平均动量,因此可以定义广义热波长.这个热波长是系统量子相干性的一个量度,在非简并条件下,实物粒子系统广义热波长回到通常的热波长.简并条件下,热力学系统的线度必须大于广义热波长,因此导致了对热力学系统出现相关现象的最小线度,即最...     

双氯芬酸钠与牛血清白蛋白结合反应的特征

在模拟人体生理条件下,采用荧光光谱和紫外 可见吸收光谱法研究了双氯芬酸钠与牛血清白蛋白的结合反应.实验结果显示,双氯芬酸钠对牛血清白蛋白有较强的荧光猝灭作用,该猝灭过程主要为静态荧光猝灭过程;二者结合常数KLB=2.167×105mol·L-1;二者的结合位置距212位色氨酸2.13nm;同时,由结合反应的热力学参数得出二者作用力主要是氢键或VanderWall's力.     

环境质量评价热力学方法探讨

对理想气体或理想溶液有:■实际分析中有 X(大气)→1,■考虑评价的任一组分有 E_p=RT■,E_p 取决于 X■的选定和 X_p 环境监测值的大小,以此为基础进行环境质量评价方法探讨.     

计及污垢影响的换热器热优化

本文利用熵产生数方法研究了气体和液体传热介质的顺流、逆流换热器的热力学完善性，结果表明，如给定冷、热流体的入口温度，在综合考虑传热、流动阻力和污垢的情况下，可用优化方法确定其它参数。     

Fluids with highly directional attractive forces. IV. Equilibrium polymerization

We investigate approximation methods for systems of molecules interacting by core repulsion and highly directional attraction due to several attraction sites. The force model chosen imitates a chemical bond by providing for bond saturation when binding occurs. The dense fluid is an equilibrium mixture ofs-mers with mutual repulsion. We use a previously derived reformulation of statistical thermodynamics, in which the particle species are monomeric units with a specified set of attraction sites bonded. Thermodynamic perturbation theory (TPT) and integral equations of two types are derived. The use of TPT is illustrated by explicit calculation for a molecular model with two attraction sites, capable of forming chain and ring polymers. Successes and defects of TPT are discussed. The integral equations for pair correlations between particles of specified bonding include calculation of self-consistent densities of species. Methods of calculating thermodynamic properties from the solutions of integral equations are given.Supported by the NSF under grant No. CHE-82-11236.