一种预测纯物质常沸点汽化热的方法

应用Ｊ－两项维里方程推导出纯物质常沸点汽化热的新计算方程式，对１２５种物质进行了常沸点汽化热的预测，并与文献实验值相比，总的绝对平均误差为１．７６％。     

剩余函数法预测纯物质的常沸点汽化热

本文根据化工热力学原理把剩余函数概念扩展到用于纯物质的汽化热,引入Clapeyron方程式和Pitzer三参数对比状态普遍化关系式,再代入Edmister方程式,推导出纯物质常沸点汽化热的新计算方程式.应用该方程式,由最基本的物性数据T_b、T_c和P_c,预测了390种各类物质的常沸点汽化热,与文献实验值相比较,总的绝对平均误差为2.0%.     

应用分子聚集理论改进剩余函数法预测纯物质常沸点汽化热

在剩余函数法预测纯物质常沸点汽化热的基础上,应用分子聚集理论导出的维里方程,推导出预测纯物质常沸点汽化热的新方程。通过390种各类物质检验,表明新方程优于原剩余函数法的预测结果。     

剩余函数法预测纯物质汽化热

在纯物质常沸点汽化热的剩余函数预测法基础上,结合Watson方程,推导出预测纯物质任一温度下汽化热的新方程,由最基本物性数据T_b、T_c和P_(?),预测350种各类物质13117个温度点的汽化热,与文献常用值相比较的总绝对平均误差为2.8％。     

纯物质汽化热的预测

在纯物质常沸点汽化热的剩余函数预测法的基础上,结合并改进W-S方程,推导出预测纯物质在任一温度下的汽化热的新方程。由最基本的物性数据T_b,T_c,P_c,预测245种各类物质7574个温度点的汽化热,与实验值相比较的总绝对平均误差为1.77％,优于原剩余函数法。     

图论法预测纯物质常沸点汽化热：饱和烷烃和链烯烃汽化热的预测

本文以图论法为基础,提出了一个预测异构烷烃和链烯烃常沸点汽化热的计算方程式:应用该式对50种饱和烷烃和25种链烯烃的汽化热分别进行了预测。结果表明,预测的精确度和简便性都是令人满意的。     

正常沸点下液体汽化热的计算

本文从修正Clapeyron方程出发,提出一个新的计算正常沸点下液体汽化热的方程。并提出一个校正沸点的方法。用本文方法对160种物质汽化热进行计算,经同文献方法比较,本方法计算误差为最小。     

分子的拓扑与饱和烷烃的常沸点汽化热

本文用图论方法研究了饱和烷烃的结构与物性之间的关系.提出了一个能够从分子的拓扑指数 F 直接预测常沸点汽化热的计算公式:△H_b=KF/F。应用该式对57种液态饱和烷烃的预测结果表明,计算值与实验值间的平均绝对偏差为0.62%。     

预测不同温度下有机纯质汽化热的新方程

阐明Watson公式的不足和缺陷,应用分子热力学理论揭示出液体的汽化热取决于液体的分子间相互作用力,导出预测不同温度下有机纯质汽化热的新方程,其物理意义明确.经用39种结构类型的310个实验值检验,平均误差0.69%.Watson式为3.06%,本法的精度比Watson式高4.4倍以上.     

拟表态法测定完全互溶理想混合溶剂的汽化热和汽化熵

用拟静态法测定了苯和甲苯、正己烷和正庚烷、乙酸乙酯和乙酸异丙酯三组完全互溶理想混合溶剂在不同组成下的正常沸点，利用沸点升高这一稀溶液的依数性，根据沸点数据求得了混合溶剂的微分汽化热和汽化熵。提供了一组完全互溶理想混合溶剂的汽化热和汽化熵的数据。再一次证实了用拟静态法测定二元混合溶剂的汽化热是简单可行的方法。     

立方型状态方程用于蒸发热的计算

推导出立方型状态方程计算纯流体蒸发热的新公式,该计算式的特点是式中含有能量参数对温度的导数 da/dT,而与 a(T)无关。根据这一公式对立方型状态方程推算蒸发热进行了比较分析,提出a(T)与 da/dT 相互独立的计算方法,并用 Peng-Robinson 方程对70多种物质(包括烃、醇、卤代烃、酮、无机气体等)进行了关联计算,蒸汽压和蒸发热的平均相对误差分别为0.70%和1.33%。     

ON THE PREDICTION OF HEATS OF VAPORIZATION OF PURE COMPOUNDS

An expression to predict the values of the latent heat of vaporization of pure compounds at their normal boiling point has been developed. A knowledge of the critical temperature, critical pressure, normal boiling point and acentric factor of the compound coupled with the use of generalized correlations for second virial coefficient and liquid molar volume allows to obtain good estimates, particularly for alcohols and ketones. Results for 71 various substances are compared with experimental values and with the results of eight other equations available in the literature. The possibility of using the calculated heats of vaporization at the normal boiling point to estimate values at other temperatures is discussed.     

ON THE PREDICTION OF HEATS OF VAPORIZATION OF PURE COMPOUNDS

An expression to predict the values of the latent heat of vaporization of pure compounds at their normal boiling point has been developed. A knowledge of the critical temperature, critical pressure, normal boiling point and acentric factor of the compound coupled with the use of generalized correlations for second virial coefficient and liquid molar volume allows to obtain good estimates, particularly for alcohols and ketones. Results for 71 various substances are compared with experimental values and with the results of eight other equations available in the literature. The possibility of using the calculated heats of vaporization at the normal boiling point to estimate values at other temperatures is discussed.     

正常沸点下液体蒸发焓的基团贡献计算法

用分子热力学方法建立了纯物质汽液平衡的推广vanderWaals模型 ,并据此得到了一个计算正常沸点下液体蒸发焓的方程 .它只含有一个与分子大小有关的参数 .这个参数的值与正常沸点下液体的摩尔体积成正比 ,且具有基团加和性 .为此 ,用 484个有机物回归得到了 45个基团增量 .对这些有机物的蒸发焓计算结果表明 ,与实验值的平均绝对偏差 (AAD)为 1.39% ,优于文献发表的其他方法     

ESTIMATION OF HEAT OF VAPORIZATION OF PURE LIQUID AT ITS NORMAL BOILING TEMPERATURE

A new method is proposed to estimate the heat of vaporization of pure liquid at its normal boiling temperature. The properties required include the boiling temperature, critical temperature and critical pressure. For monohydric alcohol and monohydric organic acid, an adjusting-boiling-temperature strategy is proposed to reduce the calculation errors. The method is tested for 160 substances including many groups of compounds. The results show that the proposed method is better than the literature methods, especially for monohydric alcohol and monohydric acid.     

ESTIMATION OF HEAT OF VAPORIZATION OF PURE LIQUID AT ITS NORMAL BOILING TEMPERATURE

A new method is proposed to estimate the heat of vaporization of pure liquid at its normal boiling temperature. The properties required include the boiling temperature, critical temperature and critical pressure. For monohydric alcohol and monohydric organic acid, an adjusting-boiling-temperature strategy is proposed to reduce the calculation errors. The method is tested for 160 substances including many groups of compounds. The results show that the proposed method is better than the literature methods, especially for monohydric alcohol and monohydric acid.     

液体导热系数的剩余函数模型

在纯物质汽化热的剩余函数预测模型基础上，结合液体导热系数与汽化热的关系式，推导出纯液体导热系数的剩余函数模型。通过对１５５种物质实验数据的检验，１５６１温度点的总平均相对误差为１．９３％。