有机物液体和含水混合液密度的关联与预测

根据有机物液体和含水混合液实验数据及其特性,考虑了组分的临界参数和溶液中氢键的影响,导出了二元和多元液体有机物水溶液密度的关联式;利用本文关联式计算了8个二元水溶液体系504个数据点的密度,总平均相对误差为0.536%;计算了5个三元水溶液体系194个数据点的密度,总平均相对误差为0.422%.密度模型检验结果表明,本文关联式的计算准确性优于campbell等人的关联式.本模型只需要混合液组分纯物质的临界参数和密度等可由手册查出的物性数据,即可预测二元和多元水溶液的密度.     

液体非电解质水溶液粘度的预测

在Teju-Rice液体混合物粘度模型的基础上,对常用的液体混合物粘度关联式进行了分析和比较;导出了适用于二元和多元非电解质水溶液的粘度模型;结合实际数据导出的水溶液二元作用参数的估算式可进行水溶液粘度的预测。用该模型计算了7个体系398个不同温度和组成的二元水溶液和4个体系189个不同温度和组成的三元水溶液的粘度,结果表明,计算值对实验数据的总平均相对偏差分别为6.848%和5.043%,本文水溶液粘度估算式的计算准确性优于Teju-Rice法。     

非电解质水溶液黏度的关联

许多化工过程的设计需要估算含水体系的黏度,但目前的黏度关联方法用于含水体系时误差较大.今以作者所在课题组近期提出的非水液体混合物黏度关联方程为基础,通过引入形状因子,得出了一个非电解质水溶液的黏度方程.该方程可用于二元非电解质水溶液黏度的关联,且能利用二元黏度得到的关联参数推算三元非电解质水溶液的黏度.该方程对54个二元非电解质水溶液体系黏度(总计2876个黏度数据点)关联的总平均相对偏差为4.60%;对7个三元非电解质水溶液体系黏度(总计352个黏度数据点)推算的总平均相对偏差为3.75%.结果表明,该方程具有较高的关联精度和推算精度.     

非电解质水溶液的粘度方程

在Eyring的液体粘性流动模型基础上,根据Rother等的假定和Shealy与Sand ler的水溶液过量自由焓溶质聚集模型,导出了一个双参数非电解质水溶液的粘度模型。利用该模型可由二元水溶液的2个模型参数预测多元水溶液的粘度。用该模型计算了6个体系391个不同温度和组成的二元水溶液和3个体系164个不同温度和组成的三元水溶液的粘度,计算值与实验值的总平均相对偏差分别为1.732%和2.977%,计算值与实验数据吻合很好。     

计算非电解质溶液导热系数的新方法

依据Chapman导热理论关于液体导热系数与粘度的关系,结合Eyring反应速率理论及引入局部面积分数而导出的液体粘度关联式,得到了一个计算非电解质溶液导热系数的新方法。经过16个二元体系和2个三元体系,共1489个数据点的试验,与文献值相比总的平均误差仅为0．31％。     

混合物表面张力的新方程

本文基于Ｈａｎｓｅｎ展开式，采用表面相表面积分率，建立了一个液体混合物表面张力的新方程。对于７１个二元体系，关联和计算的总平均相对误差为０．４８０％；对于６个三元体系，预测的总平均相对误差为２．２８％。新方程形式简单，参数少，精度较高，并且具有预测能力。     

用微扰理论状态方程预测电解质水溶液的密度

对微扰理论的电解质水溶液状态方程作了进一步简化．由水的分子参数和离子直径,计算了包含强酸在内的12个单一电解质水溶液、9个二元和1个四元电解质水溶液在不同温度下的密度．对单一电解质水溶液密度关联准确度在1％之内,对混合电解质水溶液密度预测的平均相对偏差在2％左右,若阳离子直径采用由单一电解质水溶液的回归值代替Pauling直径,则能进一步改善预测准确度．     

甲醇和乙醇的水溶液粘度、密度和导热系数的估算

根据作者导出的非电解质水溶液的粘度模型,提出了估算低压下甲醇和乙醇水溶液粘度的估算式,并根据对实验数据的回归分析,提出了甲醇和乙醇水溶液的密度和导热系数估算式。利用这些计算式计算了不同温度和组成下的甲醇水溶液和乙醇水溶液的132个粘度数据、130个密度数据和32个导热系数数据,计算值与实验值的平均计算偏差分别为1.888%、0.540%和0.969%;计算了不同温度和组成下的甲醇-乙醇-水三元溶液的115个粘度数据和116个密度数据,计算值与实验值的平均相对偏差分别为2.556%和0.351%。计算结果表明,计算值与实验数据吻合很好。     

液体非电解质水溶液粘度的关联

在Teju-Rice液体混合物模型的基础上,对常用的液体混合物粘度关联式进行了分析和比较,导出了适用于二元和多元水溶液的粘度模型。用该模型计算了6个体系388个不同温度和组成的三元水溶液的粘度,计算值对文献实验数据的总平均相对偏差分别为6.09%和5.54%,计算值准确性优于Teju-Rice模型。     

混合溶剂-盐体系的汽液平衡

以扰动理论为基础建立了含电解质混合溶剂体系的状态方程。用其计算了五个甲醇-水-盐体系的汽液平衡。参数由拟合蒸汽压、密度和离子平均活度系数数据获得。当应用到三元体系时(只用一个可调二元参数),状态方程预测蒸汽压的平均相对误差小于2.3％,汽相组成的平均绝对误差小于0.017。     

Water activity data representation of aqueous solutions at 25°C

Polynomial expressions have been fitted to the complete range of available water-activity data for 396 electrolyte and non-electrolyte aqueous binary systems. The standard deviation of regression rarely exceeded 0.001 and was less than 0.0002 in most cases. Such data representation is useful for the prediction of the water-activity of mixed moderately concentrated aqueous solutions.     

A general method of predicting the water activity of ternary aqueous solutions from binary data

An isopiestic method has been developed to predict a_w for ternary solutions from binary a_w data. Another method, previously outlined by Robinson and Bower, has been extended to include non-electrolytes. Both methods have been used to predict a_w's for 51 representative systems. The results show that the isopiestic method is as good as, or better than Robinson and Bower's in predicting a_w for ternary aqueous electrolyte/ electrolyte, electrolyte/non-electrolyte and non-electrolyte/non-dectrolyte systems. Calculated a_w values are in good agreement (<0.5%> error on the average) with experiment. The methods are applicable to relatively concentrated solutions up to 12 m.     

Measurement and prediction of the density of aqueous ternary mixtures of methyldiethanolamine and diethanolamine at temperatures from 25°c to 80°c

Densities have been measured for mixed aqueous solutions of N-methyldiethanolamine (MDEA) and diethanolamine (DEA) at 25, 30,40,50, 60,70, and 80°C. The compositions of the ternary solutions are near 30 mass% solute, because of industrial applications for the absorption of acid gases. The isopycnotic (same density) method, for predicting densities of multicomponent aqueous systems at 25°C has been used to predict the densities of the present non-electrolyte mixed solutions at other temperatures. Predicted and observed density values are in good agreement (<0.06% error). The method has also been used to predict densities of some aqueous sea salt mixtures at temperatures ranging from 5 to 95°C. Again the predicted and observed values are in good agreement (generally <0.1% error).     

Diffusion Characteristics in Ethyl Alcohol and Glucose Solutions Using Kedem-Katchalsky Equations

Formulas for calculating the viscosity and diffusion coefficients for two-component aqueous non-electrolyte solutions as a function of the solution concentration under isothermal conditions were derived. The dependence of diffusion coefficient, filtration coefficient, and dynamic viscosity coefficient for these solutions on the solution concentration was estimated and evaluated. Based on the obtained formulas, the results of diffusion coefficient, membrane filtration coefficient, and dynamic viscosity calculations for aqueous solutions of ethanol and glucose are presented and compared with literature data.     

ASOG模型推算溶液表面张力

本文将ＡＳＯＧ基团贡献模型引入Ｂｕｔｌｅｒ方程，使ＡＳＯＧ模型能够推算溶液的表面张力。对９０个二元体系和８个元体系的表面张力作了推算，并与ＵＮＩＦＡＣ推算表面张力的结果作了比较，结果令人满意。     

有机物水溶液导热系数的关联

根据对有机物水溶液导热系数影响因素的分析,在Horvath液体导热系数关系式的基础上,导出了估算有机物水溶液导热系数的计算模型;利用该模型计算了14个体系中447个数据点的不同温度和组成的二元水溶液导热系数;结果表明,计算值与实验数据吻合很好,其与实验值的总平均相对偏差为1.03％,计算准确性优于文献方法。本文计算方法简单方便,只需知道水溶液各组分的临界温度、临界体积和导热系数数据,就可以直接预测各种温度和组成的有机物水溶液混合物的导热系数。     

利用二元水溶液的水活度数据预测混合水溶液的水活度

The equation of Patwardhan and Kumar for water activities of mixed electrolyte solutions is extended to aqueous solutions containing non-electrolytes. This equation and the linear isopiestic relation are used to predict water activities of 56 ternary aqueous solutions in terms of the data of their binary subsystems. Both equation of Patwardhan and Kumar and the linear isopiestic relation can provide good predictions for water activities of the present 40 electrolyte solutions, and the linear isopiestic relation generally yields better predictions. The predictions of the extended equation of Patwardhan and Kumar and the linear isopiestic relation are in general quite reasonable for the present 8 ternary solutions of electrolytes and non-electrolytes, and the results of the linear isopiestic relation are usually better. The predictions of these two methods generally agree well with the experimental data for the 8 non-electrolyte mixtures being studied, and the linear isoniestic relation is better.