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Experimental Binary Vapor–Liquid Equilibrium Data of Morpholine with Methanol, 1-Propanol, and 2-Ethoxyethanol
Journal of Chemical & Engineering Data ( IF 2.0 ) Pub Date : 2020-11-06 , DOI: 10.1021/acs.jced.0c00521 Rajendra Prasad Vasanta 1 , Venkateswara Rao Kamireddi 2
Journal of Chemical & Engineering Data ( IF 2.0 ) Pub Date : 2020-11-06 , DOI: 10.1021/acs.jced.0c00521 Rajendra Prasad Vasanta 1 , Venkateswara Rao Kamireddi 2
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Experimental PTx data have been measured and reported for three binary mixtures containing morpholine under 18 conditions using a Sweitoslawski-type ebulliometer. The measured pressure (P), temperature (T), and liquid(x) composition (PTx) data were correlated by five popular excess free-energy models using the Gauss–Newton (GN) optimization algorithm to obtain the vapor composition and optimized parameters simultaneously. In general, the Margules model had been found to be the best in vapor composition predictions. UNIFAC predictions for the activity coefficients and vapor compositions were also made for each dataset to evaluate the suitability of group interaction parameters published for two UNIFAC versions. However, the results were not compatible with the predictions by the two-parameter models. The binary mixtures studied in the present work exhibited negative deviations from Raoult’s law with a few exceptions. A comparison made between the measured vapor pressure data and the available literature data for four pure components showed good agreement. When the Tx data of methanol–morpholine mixture at 74.26 and 101.32 kPa were compared with the published data, large deviations were observed for the data at 101.32 kPa. Moreover, the pair of activity coefficients at infinite dilution data for each binary system were predicted using Margules and UNIFC models.
中文翻译：
吗啉与甲醇，1-丙醇和2-乙氧基乙醇的二元汽-液平衡实验数据
使用Sweitoslawski型浊度仪在18种条件下测量并报告了含有吗啉的三种二元混合物的实验PTx数据。实测压力（P），温度（T），然后使用高斯-牛顿（GN）优化算法通过五个流行的过剩自由能模型将液体（x）组成（PTx）数据进行关联，以同时获得蒸汽组成和优化参数。通常，已发现Margules模型在蒸气成分预测中是最好的。还针对每个数据集对UNIFAC的活度系数和蒸气组成进行了预测，以评估针对两个UNIFAC版本发布的组相互作用参数的适用性。但是，结果与两参数模型的预测不符。在本工作中研究的二元混合物表现出与拉乌尔定律的负偏差，但有一些例外。在实测蒸气压数据和四种纯净组分的现有文献数据之间进行的比较显示出很好的一致性。当将甲醇-吗啉混合物在74.26和101.32 kPa处的Tx数据与公开数据进行比较时，在101.32 kPa处观察到较大的偏差。此外，使用Margules和UNIFC模型预测了每个二元系统在无限稀释数据下的一对活度系数。
更新日期：2021-01-14
中文翻译：
吗啉与甲醇，1-丙醇和2-乙氧基乙醇的二元汽-液平衡实验数据
使用Sweitoslawski型浊度仪在18种条件下测量并报告了含有吗啉的三种二元混合物的实验PTx数据。实测压力（P），温度（T），然后使用高斯-牛顿（GN）优化算法通过五个流行的过剩自由能模型将液体（x）组成（PTx）数据进行关联，以同时获得蒸汽组成和优化参数。通常，已发现Margules模型在蒸气成分预测中是最好的。还针对每个数据集对UNIFAC的活度系数和蒸气组成进行了预测，以评估针对两个UNIFAC版本发布的组相互作用参数的适用性。但是，结果与两参数模型的预测不符。在本工作中研究的二元混合物表现出与拉乌尔定律的负偏差，但有一些例外。在实测蒸气压数据和四种纯净组分的现有文献数据之间进行的比较显示出很好的一致性。当将甲醇-吗啉混合物在74.26和101.32 kPa处的Tx数据与公开数据进行比较时，在101.32 kPa处观察到较大的偏差。此外，使用Margules和UNIFC模型预测了每个二元系统在无限稀释数据下的一对活度系数。
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