有机化合物液体等压热容的关联和预测

摘要

According to the definition of liquid constant pressure heat capacity and the Rackett equation, a new correlation model for liquid constant pressure heat capacities of organic compound was proposed in this paper. From the proposed model, heat capacities of 46 kinds of liquid organic compounds with 318 data points at different temperatures were predicted. The comparison with the literature data shows that the calculation results are satisfactory with the overall average relative deviations of 3.92%, so the proposed correlation is more accurate than literature correlations. The proposed model is applicable to predict the liquid constant pressure heat capacities of every organic compound at different temperatures. The proposed model is simple and convenient. By using the easy ferreted out physical properties of mole mass, critical temperature, critical pressure,normal boiling point, normal melting point, critical compress factor and eccentric factor, the liquid constant pressure heat capacities of the organic compound at different temperatures can be directly predicted without the need of the constant pressure heat capacity data of corresponding ideal gas.%根据液体等压热容的定义，在Rackett方程的基础上，导出了有机化合物液体等压热容的关联式。利用该模型计算了46种有机物318个数据点的液体等压热容，计算值与实验值的总平均相对偏差为3.92%，计算准确性优于文献方法；该方法适用于各种有机化合物在不同温度下液体等压热容的预测；方法简单方便，利用被估算有机化合物的摩尔质量、临界温度、临界压力、标准沸点、标准熔点、临界压缩因子和偏心因子等易查取的物性数据，不需要物质理想气体等压热容数据就可以直接预测该液体物质在不同温度下的等压热容。