The performance of the perturbed‐chain statistical associating fluid theory‐type equations of state (PC‐SAFT‐type EOSs) is compromised in predicting properties of pure compounds in the critical region. In our previous research, we introduced an improved volume‐translated rescaled PC‐SAFT EOS (VTR‐PC‐SAFT EOS) by incorporating a dimensionless distance‐function. Such VTR‐PC‐SAFT EOS is built based on a critical point‐based PC‐SAFT EOS that can reproduce the critical temperature, critical pressure, and critical molar volume of pure compounds. VTR‐PC‐SAFT EOS is found to significantly improve the accuracy of phase behavior predictions in both critical and noncritical regions for pure compounds. In this study, we assess the performance of VTR‐PC‐SAFT EOS in reproducing the critical and noncritical properties of 251 pure compounds, encompassing 20 distinct chemical species. The testing results indicate that, compared to the other three PC‐SAFT‐type EOSs, the VTR‐PC‐SAFT EOS can consistently provide more accurate representations of critical and noncritical properties of 251 pure compounds.

中文翻译：

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使用广泛的实验数据库将体积转换重标度扰动链统计关联流体理论状态方程应用于纯化合物


扰动链统计关联流体理论型状态方程（PC-SAFT 型 EOS）的性能在预测临界区域纯化合物的性质时受到影响。在我们之前的研究中，我们通过结合无量纲距离函数引入了一种改进的体积转换重新缩放的 PC-SAFT EOS (VTR-PC-SAFT EOS)。这种 VTR-PC-SAFT EOS 是基于基于临界点的 PC-SAFT EOS 构建的，可以重现纯化合物的临界温度、临界压力和临界摩尔体积。研究发现 VTR-PC-SAFT EOS 可以显着提高纯化合物关键和非关键区域相行为预测的准确性。在这项研究中，我们评估了 VTR-PC-SAFT EOS 在再现 251 种纯化合物（涵盖 20 种不同化学物质）的关键和非关键性质方面的性能。测试结果表明，与其他三种 PC-SAFT 型 EOS 相比，VTR-PC-SAFT EOS 始终能够更准确地表示 251 种纯化合物的关键和非关键性质。