Abstract In this work, we report phase equilibrium measurements on the system (methyl propanoate + carbon dioxide) carried out with a high-pressure quasi-static-analytical apparatus. The measurements were made along six isotherms at temperatures from (298.15 to 423.15) K and at pressures up to the critical pressure at each temperature. Vapor-liquid equilibrium (VLE) data obtained for the mixture have been compared with the predictions of the Statistical Associating Fluid Theory coupled with the Mie potential and a group-contribution approach for the functional group interaction parameters (SAFT-γ Mie). The group interaction parameters in SAFT-γ Mie for the COO–CO2 interaction have been revised in this work by fitting to our experimental VLE data. After tuning, the SAFT model was found to be in good agreement with the measured data for both the liquid and vapor phases. Additionally, the data were compared with the predictions of the Peng-Robinson equation of state (PR-EoS) with one-fluid mixing rules and a temperature-independent binary parameter. This model fitted the VLE data well, except in the critical region. The present work is expected to contribute to optimization of biodiesel production processes.

中文翻译：

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在 (298.15 和 423.15) K 之间的温度和高达 20 MPa 的压力下（丙酸甲酯 + 二氧化碳）的相行为的实验和建模研究

摘要 在这项工作中，我们报告了使用高压准静态分析装置对系统（丙酸甲酯 + 二氧化碳）进行的相平衡测量。在 (298.15 到 423.15) K 的温度下和每个温度下的临界压力下，沿着六个等温线进行测量。为混合物获得的汽液平衡 (VLE) 数据已与结合 Mie 势和官能团相互作用参数 (SAFT-γ Mie) 的基团贡献方法的统计关联流体理论的预测进行了比较。SAFT-γ Mie 中 COO-CO2 相互作用的组相互作用参数在这项工作中通过拟合我们的实验 VLE 数据进行了修改。调好后，发现 SAFT 模型与液相和气相的测量数据非常吻合。此外，将数据与具有单一流体混合规则和与温度无关的二元参数的 Peng-Robinson 状态方程 (PR-EoS) 的预测进行了比较。该模型很好地拟合了 VLE 数据，但关键区域除外。目前的工作预计将有助于优化生物柴油生产过程。