饱和蒸气压估算系统的建立

在全面收集整理和评价目前文献报导的蒸气压估算方法的基础上，建立了一个功能较全、易于推广应用的纯物质饱和蒸气压软件包。纯物质的饱和蒸气压是重要的热力学性质之一，也是化工过程设计与控制必不可少的重要基础物性数据。因此准确估算纯物质的饱和蒸气压的方法和软件系统有十分重要的理论和实际意义     

用简单物性估算纯物质临界参数的方法

以常压沸点、相对密度、相对分子质量为变量,用近年来经过严格评定的294种有机化合物共681个临界数据进行拟合,从而提出新的临界温度、临界压力和临界体积的估算式。新估算式与Joback法、Lydersen法及MXXC法等3种常用的基团贡献估算方法相比,估算精度相近,但计算过程简便。     

A Modification of α in SRK Equation of State and Vapor-Liquid Equilibria Prediction

1 INTRODUCTION Equations of state (EOS), especially, cubic equa-tions of state are frequently used in modeling phase equi-librium for chemical process of designing. Among cubic equations of state, SRK[1] equation of state and PR[2] equation of state are the most commonly used. These two equations of state are similar in form. They are also similar in the correction factor of parameter a. When phase equilibria of mixtures were calculated, equations of state must be combining with mixing…     

超额Gibbs自由能-状态方程模型计算和预测相平衡的进展

综述了用超额G ibbs自由能-状态方程模型计算相平衡的思路及进展,介绍了Huron-V idal,W ong-San-d ler,MHV1,MHV2,LCVM,HV ID等几种超额G ibbs自由能混合规则。重点介绍了UN IFAC基团贡献法、MHV1混合规则和SRK方程三者结合的可预测相平衡的PSRK模型及其改进。与结合传统混合规则的状态方程法及活度系数法相比较,超额G ibbs自由能-状态方程模型能够在更大范围内准确计算和预测流体相平衡。     

萃取反应精馏合成高纯度乙酸乙酯

通过对乙酸和乙醇酯化反应体系的相平衡计算，分析了乙酸对乙醇－乙酸乙酯－水共沸组成的影响，确定了消除三元共沸物的最小乙酸浓度。试验考查了萃取反应精馏流程用于合成乙酸乙酯的可操作性，探讨了各操作参数对产品酯纯度的影响规律。结果表明，单塔流程得到的酯纯度可达９７％以上，产品中的杂质主要是水，乙醇的含量小于０．３％。     

化工物性数据的寻找和评选

<正> 化工物性数据为化工生产、设计、科研所必需。对使用者来说,不可能每一个数据均得自自己的实验。因此,在很短的时间内从有关的书刊中找到足够正确的化工数据是化工科技人员所必备的基本功之一。 化工物性数据按目前一般的理解是指与化工生产与科研有关的化合物的热化学、热力学     

对二甲苯在醋酸中扩散系数的测定

为了提供精对苯二甲酸（PTA）生产过程中相关体系的扩散系数,利用金属膜池并用氯化钾水溶液标定了膜池常数。用已有文献值的乙酸水溶液验证了装置的可靠性。测定了298.15-323.15K不同温度下对二甲苯在醋酸中的积分扩散系数,还分别给出了微分扩散系数与对二甲苯浓度的关联式。结果表明在相同温度下对二甲苯在醋酸中的扩散系数随着对二甲苯浓度的增加而减小,在同一浓度下随着温度的升高而增加。     

二元混合物环丁酚和对二甲苯、乙苯在温度范围为303.15-353.15K下的密度、黏度及其相关性质

Densities and viscosities of the binary systems of sulfolane ethylbenzene, sulfolane p-xylene have been experimentally determined in temperature interval 303.15-353.15 K and at atmospheric pressure for the whole composition range. The excess molar volumes and viscosity deviations were computed. The computed quantities have been fitted to Redlich-Kister equation. Excess molar volumes and viscosity deviation show a systematic change with increasing temperature. Two mixtures exhibit negative excess volumes with a minimum which occurs approximately at x = 0.5. The effect of the size, shape and interaction of components on excess molar volumes and viscosity deviations is discussed.     

对二甲苯和醋酸二元液体混合物在不同温度下的超额摩尔体积、粘度和热容

Experimental densities, viscosities and heat capacities at different temperatures were presented over the entire range of mole fraction for the binary mixture of p-xylene and acetic acid. Density values were used in the determination of excess molar volumes, VE. At the same time, the excess viscosity and excess molar heat capacities were calculated. The values of V^E, η^E and cE/p were fitted to the Redlich-Kister equation. Good agreements were observed. The excess molar volumes are positive with a large maximum value located in the central concentrationrange. The excess viscosity has an opposite trend to the excess molar volume V^E. η^E values are negative over the entire range of the mixture. The cure of dependence of c E/p on concentration has a special shape. The molecularinteraction between v-xvlene and acetic acid is discussed.     

SRK方程α的改进及其在汽-液相平衡预测中的应用

Based on results of saturated vapor pressures of pure substances calculated by SRK equation of state,the factor α in attractive pressure term was modified. Vapor-liquid equilibria of mixtures were calculated by original and modified SRK equation of state combined with MHV1 mixing rule and UNIFAC model, respectively. For 1447 saturated pressure points of 37 substance including alkanes; organics containing chlorine, fluorine, and oxygen; inorganic gases and water, the original SRK equation of state predicted pressure with an average deviation of 2.521% and modified one 1.673%. Binary vapor-liquid equilibria of alcohols containing mixtures and water containing mixtures also indicated that the SRK equation of state with the modified α had a better precision than that with the original one.