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首页> 外文期刊>The Journal of Supercritical Fluids >Phase equilibria, critical behavior and derivative properties of selected n-alkane-alkane and n-alkane/1-alkanol mixtures by the crossover soft-SAFT equation of state
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Phase equilibria, critical behavior and derivative properties of selected n-alkane-alkane and n-alkane/1-alkanol mixtures by the crossover soft-SAFT equation of state

机译：通过交叉SAFT状态方程，选择的正构烷烃/正构烷烃和正构烷烃/ 1烷醇混合物的相平衡，临界行为和衍生物性质

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We present here results from the crossover soft-SAFT equation of state as applied to selected n-alkane-alkane and n-alkane/1-alkanol mixtures. The molecular parameters needed to apply the equation to experimental systems were obtained as a function of the molecular weight of the compounds, from published correlations. The fact that the equation takes into account the long range density and composition fluctuations appearing near the critical point enables it to predict with equal accuracy the behavior of the systems far from and close to the critical region. We have found that, for most of the mixtures investigated here, one size binary interaction parameter, with a fixed value for all systems, is enough to quantitatively predict the rich phase behavior shown by these mixtures, while for the case of very asymmetric mixtures, a second binary parameter, also independent of the thermodynamic conditions, is needed to quantitatively describe experimental data. Crossover soft-SAFT accurately reproduces transitions from type I to type V for the critical behavior of the methane-alkane and ethane-alkane homologous series. The equation also predicts in a quantitative manner the subcritical and critical behavior of the 1-propanol-hexane and ethanol-butane binary mixtures. Finally, we report speed of sounds of the mixture methane-butane and the heat capacities of the mixture 1-propanol-decane, in close agreement with experimental data. Results presented here encourage the development of molecular-based equations of state with a term taking into account the singular behavior in the near critical region, especially if one is searching for quantitative predictions in this region for further applications.
机译：我们在这里给出了适用于选定的正构烷烃/正构烷烃和正构烷烃/ 1烷醇混合物的状态转换软SAFT状态方程的结果。从公开的相关性中获得了将该方程应用于实验系统所需的分子参数，该参数是化合物分子量的函数。该方程式考虑了在临界点附近出现的远距离密度和成分波动这一事实，使它能够以相同的精度预测远离和接近临界区域的系统的行为。我们发现，对于此处研究的大多数混合物，对于所有系统，一个大小固定的二元相互作用参数足以定量预测这些混合物所显示的浓相行为，而对于非常不对称的混合物，还需要第二个二进制参数（也独立于热力学条件）来定量描述实验数据。对于甲烷/正构烷烃和乙烷/正构烷烃同系物的临界行为，交叉软SAFT可以准确地再现从I型到V型的过渡。该方程还以定量方式预测了1-丙醇/正己烷和乙醇/正丁烷二元混合物的亚临界和临界行为。最后，我们报告了甲烷/正丁烷混合物的声速和1-丙醇/正癸烷混合物的热容量，与实验数据非常吻合。这里给出的结果鼓励开发一种基于分子的状态方程，并考虑到在关键区域附近的奇异行为，特别是如果人们正在寻找该区域的定量预测以进一步应用时。

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