One-Parameter Equation of State for Gases and Gas Mixtures

The simplest equation of state that can be applied to calculate the thermodynamic properties of gases is the virial equation with the second coefficient B. The probability of applying the one-coefficient equation Z = exp(A/V) for the calculation of compressibility factor at critical temperature of gases and gas mixtures is investigated. It was verified that the one-coefficient equation of state can be applied to calculated the thermodynamic properties for both normal and strongly polar gases and gas mixtures.

Steady State Properties of One-Dimensional Non-uniform Granular Gases Subjected to Gaussian White Noise Driving

We present a model of non-uniform granular gases in one-dimensional case, whose granularity distribution has the fractal characteristic. We have studied the nonequilibrium properties of the system by means of Monte Carlo method. When the typical relaxation time T of the Brownian process is greater than the mean collision time To, the energy evolution of the system exponentially decays, with a tendency to achieve a stable asymptotic value, and the system finally reaches a nonequilibrium steady state in which the velocity distribution strongly deviates from the Gaussian one. Three other aspects have also been studied for the steady state： the visualized change of the particle density, the entropy of the system and the correlations in the velocity of particles. And the results of simulations indicate that the system has strong spatial clustering; Furthermore, the influence of the inelasticity and inhomogeneity on dynamic behaviors have also been extensively investigated, especially the dependence of the entropy and the correlations in the velocity of particles on the restitute coefficient e and the fractal dimension D.

Thermomechanical Dynamics (TMD) and Bifurcation-Integration Solutions in Nonlinear Differential Equations with Time-Dependent Coefficients

The new independent solutions of the nonlinear differential equation with time-dependent coefficients (NDE-TC) are discussed, for the first time, by employing experimental device called a drinking bird whose simple back-and-forth motion develops into water drinking motion. The solution to a drinking bird equation of motion manifests itself the transition from thermodynamic equilibrium to nonequilibrium irreversible states. The independent solution signifying a nonequilibrium thermal state seems to be constructed as if two independent bifurcation solutions are synthesized, and so, the solution is tentatively termed as the bifurcation-integration solution. The bifurcation-integration solution expresses the transition from mechanical and thermodynamic equilibrium to a nonequilibrium irreversible state, which is explicitly shown by the nonlinear differential equation with time-dependent coefficients (NDE-TC). The analysis established a new theoretical approach to nonequilibrium irreversible states, thermomechanical dynamics (TMD). The TMD method enables one to obtain thermodynamically consistent and time-dependent progresses of thermodynamic quantities, by employing the bifurcation-integration solutions of NDE-TC. We hope that the basic properties of bifurcation-integration solutions will be studied and investigated further in mathematics, physics, chemistry and nonlinear sciences in general.

The Application of Thermomechanical Dynamics (TMD) to the Analysis of Nonequilibrium Irreversible Motion and a Low-Temperature Stirling Engine

We applied the method of Thermomechanical Dynamics (TMD) to a low-temperature Stirling engine, and the dissipative equation of motion and time-evolving physical quantities are self-consistently calculated for the first time in this field. The thermomechanical states of the heat engine are in Nonequilibrium Irreversible States (NISs), and time-dependent thermodynamic work W(t), internal energy E(t), energy dissipation or entropy Qd(t), and temperature T(t), are precisely studied and computed in TMD. We also introduced the new formalism, Q(t)-picture of thermodynamic heat-energy flows, for consistent analyses of NISs. Thermal flows in a long-time uniform heat flow and in a short-time heat flow are numerically studied as examples. In addition to the analysis of time-dependent physical quantities, the TMD analysis suggests that the concept of force and acceleration in Newtonian mechanics should be modified. The acceleration is defined as a continuously differentiable function of Class C2 in Newtonian mechanics, but the thermomechanical dynamics demands piecewise continuity for acceleration and thermal force, required from physical reasons caused by frictional variations and thermal fluctuations. The acceleration has no direct physical meaning associated with force in TMD. The physical implications are fundamental for the concept of the macroscopic phenomena in NISs composed of systems in thermal and mechanical motion.

Thermodynamic Consistency and Thermomechanical Dynamics (TMD) for Nonequilibrium Irreversible Mechanism of Heat Engines

The irreversible mechanism of heat engines is studied in terms of thermodynamic consistency and thermomechanical dynamics (TMD) which is proposed for a method to study nonequilibrium irreversible thermodynamic systems. As an example, a water drinking bird (DB) known as one of the heat engines is specifically examined. The DB system suffices a rigorous experimental device for the theory of nonequilibrium irreversible thermodynamics. The DB nonlinear equation of motion proves explicitly that nonlinear differential equations with time-dependent coefficients must be classified as independent equations different from those of constant coefficients. The solutions of nonlinear differential equations with time-dependent coefficients can express emergent phenomena: nonequilibrium irreversible states. The couplings among mechanics, thermodynamics and time-evolution to nonequilibrium irreversible state are defined when the internal energy, thermodynamic work, temperature and entropy are integrated as a spontaneous thermodynamic process in the DB system. The physical meanings of the time-dependent entropy, T(t)dS(t), , internal energy, dƐ(t), and thermodynamic work, dW(t), are defined by the progress of time-dependent Gibbs relation to thermodynamic equilibrium. The thermomechanical dynamics (TMD) approach constitutes a method for the nonequilibrium irreversible thermodynamics and transport processes.

Molecular Dynamics Study of gases H2,D2 and T2

The classical molecular dynamics simulation has been used to study the equation of state of gas H2, D2 and T2. It has also been investigated that the isotope mass affects on the accuracy of equation of state. Our calculated results show that the classical effect is principal and the isotope mass effects on the equation of state are obvious for the much light gases. At the same time, some useful theoretical data of equation of state for these gases have been provided. It is found that the classical simulation is still effective to the quantum gas. However, the quantum mechanics simulation and the improvement of intermolecular interaction potential are necessary if more accurate computational results are expected.

On Mechanism of Heat-Conduction and Equation of Thermal Conductivity of Liquid

The recently presented equation for nonequilibrium state of gases is hereextended to liquid,and thus an equation of thermal conductivity for normal liquid is de-rived.The equation is applied to both polar and nonpolar liquids,with the average error of608 experlmental values being 1.75% based upon 110 compounds of 29 types of structures.This method is far better than all the other methods published.

吸气剂材料的吸氢动力学理论

以非蒸散型吸气剂材料为研究对象,提出了一种吸氢动力学的基本模型。氢的吸入过程将由表面吸附、表层渗透和体内扩散3步组成。通常情况下,必须对它们的动力学方程同时求解。在氢通过化学解离吸附进入体内(亚表面层)的吸入过程中,表面势垒对氢从表面渗透至体内的障碍作用不可忽略。在低的体氢浓度条件下,采用晶格 气体模型描述体扩散过程,并讨论了影响吸气速率的因素。

瓦斯煤层裸露面蠕变失稳的时间预测研究

通过对煤体蠕变特性的分析,提出采用五元粘弹塑流变模型能很好地描述煤体的蠕变特征。在考虑煤层瓦斯的作用下,得到了含瓦斯的煤蠕变状态方程。由于揭开的煤层裸露面由原来的三向受力变为二向受力,在合适的条件下煤体会产生蠕变。而煤体在双向受压时,裸露面方向的应变为拉应变,当裸露面方向的煤体的拉应变大于煤体破坏时的拉应变时,煤体将产生蠕变失稳。从而可以预测煤体蠕变失稳的时间。研究成果可以解释揭煤工程岩体失稳。

液体烃的分子结构与导热率

分析了国际化工领域著名的Latini等式的不足后,以张克武提出的气体不平衡状态理论方程导出的液体导热率理论方程和理论定则为依据,提出液体烃导热率方程;经用各类液体烃76种362个实验数据检验,平均误差1.78％,显著优于前人公式。有重要的理论意义与应用价值。

分子热力学前沿基础研究中的新理论13∶论纯质的微观结构与液体表面张力理论计算法

从分析液体表面张力σ的微观机理出发,应用表面层的定性微观图片,阐明液体内部微观粒子与液体表面层的微观粒子同其它微观粒子间的相互作用是不同的。可把液体表面层微观粒子看作介乎于液体性质与气体性质之间的第三相。临界点时,第三相消失,故σ趋近于0,据此预测应能将张克武气体不平衡状态理论方程推广应用于σ的研究,导出液体表面张力理论方程,经用各不同结构类型的极性与非极性纯质268种1482个实验数据检验,平均误差1.40%,且其物理意义明确,仅知Tm,即可精确预测若干结构类型的σ,显著优于前人各式,有较为重要的理论意义和广泛的应用价值。

n维粒子系统的状态函数

对能谱关系为ε=aps（s=l,2）的n维气体作了统一讨论,并给出了n维理想气体以及n维弱简并理想费米气体和玻色气体的状态方程及各热力学函数.

气体导热率理论方程和两个定理

分析了杰出科学家Maxwell等的理论方程普适性差精确度低的深刻理论根源,是难以消除的严重缺陷。利用氩模型及其微分方程导出气体导热率理论方程,并以逻辑推理建立2个定理。作者方程经用极性与非极性以及量子气体等24种结构类型178种有机与无机纯质802个实验数据验证,平均误差仅1.71％,达到实验允许误差范围内,比科学家公认的非平衡态统计力学上最重大成就之一的Enskog-Chapman理论方程的精度高5倍以上,比Chung式高3.5倍。证明解决了当代化学工程与非平衡态统计力学交叉学科领域内极需解决的科学难题之一,有很大的理论意义和应用价值,是这一领域的重大突破。

潜艇应急燃气吹除过程的理论分析及实验验证

通过对燃气吹除压载水舱过程进行热力学分析,确立了考虑相变产生水蒸气情况下燃气吹除过程的能量方程、质量方程和气体状态方程,推导并建立了压载水舱吹除过程的数理模型.进行了潜艇应急燃气吹除系统的小比例模型原理实验,模拟了水下100m深度时燃气吹除的排水性能与规律以及燃气吹除过程中的主要性能参数变化情况,并对影响吹除效率的各种因素进行了分析.实验结果与所建立的潜艇应急燃气吹除过程数理模型的仿真结果进行了对比验证,结果表明,通过热力学方法建立的用于燃气吹除过程的工程计算数理模型与实际实验情况符合较好,可用于燃气应急吹除系统的设计及优化.

气体不平衡状态理论方程的推广应用(Ⅶ)——液体定压比热容理论方程

将由氩模型微分方程创立的气体不平衡状态理论方程推广应用于液体,导出液体定压比热容理论方程,经以极性与非极性等32种结构类型220种纯质的986个实验数据检验,平均误差为0.85％,优于前人公式,有重要的理论意义与广泛的应用价值.

LHSS方程在地面轻烃低温回收中的应用可行性分析

LHSS方程是为适应我国低含凝析油凝析气藏烃类体系的相态计算的需要而建立的 ,是“七五”国家重点攻关项目的成果 ,它已成功地用于凝析气藏烃类体系的高压相行为的预测。为拓宽该方程的适用范围 ,文章从热焓的普适性热动力学关系出发 ,推导了该方程的热力学焓差方程式 ,并把它应用于绝热节流计算过程。通过与公认的目前最好的用于低温分离SHBWR方程模拟结果对比 ,说明LHSS方程可用于地面低温分离模拟和油气分离设计 ,解决了地下高温高压相态和地面低温分离相态采用不同的状态方程问题。

含八氟环丁烷二元物系的等压汽液平衡的测定和关联

本文用等压法加压汽液平衡装置在0.986MPa下测定了氟利昂12(1)-八氟环丁烷(2)、氟利昂22(1)-八氟环丁烷(2)、六氟丙烯(1)-八氟环丁烷(2)三个二元体系的汽液平衡数据;并用马丁-侯(81)状态方程进行关联,取得较为满意的结果.

理想气体状态方程推导中的几个问题

文章详细分析了大学现行教材中关于理想气体状态方程的推导,对其中存在的问题作了比较深入的讨论,以期对教学有一定的参考价值。

凝聚态物理学基础研究领域中的新理论Ⅰ——纯质的分子结构与液体C_(p,1)理论方程及3个定理

将由氩模型微分方程出发创立的气体不平衡状态理论方程推广应用于凝聚态物理学性质的研究中,导出液体定压热容C_(p,1)理论方程,并创立3个定理,据此在很多情况下,仅需纯质的熔点T_m,沸点T_b就能准确地计算出C_(p,1)。是百年来凝聚态物质热容理论研究中的重大突破。公式的精度比2001年Poling教授,Praunitz院士推荐的国际科技界最优公式(含CSP correlation等)高10倍以上,经极性与非极性等42种结构类型289种纯质的1086个实验数据检验,平均误差为0.82％,显著优于前人公式,有重大的理论意义与广泛的应用价值。

用前沿基础研究中的重大成就振兴老工业基地——论发展化学化工数据应用软件产业的可行性

阐明了当前国际科技界化学化工物性数据软件普遍存在的理论基础贫乏导致:估算公式的计算质量低下。文中以氩模型微分方程和气体不平衡状态理论方程及有机分子的半金属结构理论为指导,以已经创立的 10个价值重大的工程物性理论方程为基础进一步开拓,创立高精度,普适性优异,有很强的国际竞争力的新型化学化工数据软件商品体系,逐步形成规模经济。