摘要
采用 18类 382种物质的沸点下饱和蒸气压、液体体积、蒸发焓的实验值评价Redlich-Kwong(RK)、Soave-Redlich-Kwong(SRK)、Peng-Robinson(PR)、扰动链统计缔合流体理论状态方程(PC-SAFT)状态方程(EoS)对热力学性质的预测能力,通过计算值和实验值的平均相对偏差,评价了 4种状态方程对 18类物质预测结果的准确性.结果表明,对沸点下蒸发焓、饱和蒸气压、液体体积预测结果最准确的是 PC-SAFT EoS,平均相对偏差分别为1.57%、1.20%、0.99%;PR、SRK EoS对蒸发焓预测结果的平均相对偏差分别为 2.57%和2.68%,对饱和蒸气压预测结果的平均相对偏差分别为 1.47%和 1.80%,且其对液体体积的预测结果平均相对偏差也远大于PC-SAFT EoS;RK EoS对3种热力学性质预测结果的平均相对偏差均超过18.00%.对有机物尤其是缔合物质的热力学性质的预测应该优先选择PC-SAFT状态方程.
Abstract
The experimental values of saturation vapor pressure,liquid volume,and enthalpy of vaporization for 18 classes of 382 substances were used to evaluate the predictive ability of the RK,SRK,PR,and PC-SAFT equations of state(EoS)for thermodynamic properties.The average relative deviations of the four EoS were obtained by comparing with the experimental data,and the accuracy of the four EoS in predicting the thermodynamic properties of the 18 classes of substances was evaluated.The results show that the PC-SAFT EoS has the most accurate predictions for the enthalpy of vaporization,saturation vapor pressure,and liquid volume,with average relative deviations of 1.57%,1.20%,and 0.99%,respectively.The average relative deviations of the PR and SRK EoS for the enthalpy of vaporization are 2.57%and 2.68%,respectively,and those for the saturation vapor pressure are 1.47%and 1.80%,respectively.Furthermore,the average relative deviations of the two EoS for liquid volume are much larger than those of the PC-SAFT EoS.The average relative deviations of the RK EoS for all three thermodynamic properties are all greater than 18.00%.For the prediction of thermodynamic properties of organic substances,especially for associating substances,the PC-SAFT EoS should be preferred.
维普
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