【作者】 胡超权；

【导师】 高正虹；

【作者基本信息】 天津大学 ， 化学工程， 2005， 硕士

【摘要】 本文采用平衡法测定了水-邻苯二甲酸二丁酯(DBP)、水-邻苯二甲酸二乙酯(DEP)和水-六氢化邻苯二甲酸二异丁酯(DIBE)三个二元系统在不同温度(298.2K、318.2K、333.2K和343.2K)下的互溶度;采用NRTL模型和UNIQUAC模型对三个二元系统每个温度的互溶度分别进行了关联,不同模型的关联精度都很高。为了便于应用,将NRTL模型和UNIQUAC模型中的参数表达成温度的一次函数对每个系统在不同温度下的互溶度数据同时进行了关联,结果发现三个系统的UNIQUAC模型的目标函数值均要小于NRTL模型的目标函数值,且UNIQUAC模型计算互溶度与实验值的偏差小于NRTL模型的计算偏差,UNIQUAC模型的关联精度是令人满意的。采用PRO/Ⅱ软件中的UNIFAC模型预测了水-DBP、水-DEP两个二元系统在298.2K-343.2K下的互溶度,预测得到的互溶度结果与实验值进行了比较。本文采用综合法测定了富马酸在DBP或DIBE溶剂中不同温度(298.2K、313.2K、318.2K、333.2K和343.2K)下的溶解度,并且采用同样的方法测定了邻苯二甲酸在DBP溶剂中不同温度(298.2K、318.2K、333.2K和343.2K)下的溶解度;并应用相平衡原理及热力学基本公式对溶解度进行了预测,预测中所需要的熔化热分别来源于文献值和采用不同估算方法得到。预测结果显示,采用文献中熔化热数据预测得到的溶解度结果与实验值偏差较小,而采用估算方法计算熔化热预测得到的溶解度结果与实验值偏差较大。通过实验观察了298.2K、318.2K和333.2K温度下富马酸或邻苯二甲酸在水和DBP两溶剂中的分配平衡,得到了富马酸或邻苯二甲酸在这三个温度下在两液相中的分配系数和分配常数以及这些温度下它们在水中的解离常数。更多还原

【Abstract】 In this paper, the liquid-liquid equilibrium data for the binary systemswater+di-n-butyl phthalate (DBP), water+di-n-ethyl phthalate (DEP) andwater+di-isobutyl hexahydrophthalate(DIBE) from 298.2K to 348.2K were measuredby equilibrium method. The mutual solubility of each binary system at eachtemperature was correlated by the NRTL and UNIQUAC models and the correlationaccuracy was very high. Moreover, the NRTL and UNIQUAC models, of which theinteraction parameters were expressed as a function of the temperature from 298.2Kto 348.2K, were respectively used to correlate the LLE data in the range of 298.2K to348.2K for each binary system. The results show that the correlation accuracy of theUNIQUAC model is better than that of the NRTL model and is satisfactory. TheUNIFAC model provided in Pro/Ⅱsoftware (version 5.61) was used to predict theLLE data for water with di-n-butyl phthalate, or di-n-ethyl phthalate. Predicted resultswere compared with the experimental results.The solubilities of trans-butenedioic or o-phthalic acid in DBP or DIBE solvent at298.2K, 313.2K, 318.2K, 333.2K and 343.2K were determined by synthetic method.These solubilities were also predicted by using thermodynamic equations. The resultspredicted with the exact melting heat show a good agreement with the experimentalvalues, whereas that predicted using estimated melting heat have large deviation fromthe experimental values.In addition, the distribution equilibria of trans-butenedioic or o-phthalic acid inthe two solvents, water and DBP, at 298.2K, 318.2K and 333.2K were investigated bythe experiments. The distribution coefficients and the distribution constants of them atthese temperatures were obtained by the reduction of the experimental data, while thedissociation constants of them in water at 318.2K and 333.2K were determined.更多还原