A generalized alpha function of Peng-Robison equation of state for non-polar, weakly polar and polar compounds

doi:10.1016/j.cjche.2022.10.019

中国化学工程学报 ›› 2023, Vol. 58 ›› Issue (6): 234-243.DOI: 10.1016/j.cjche.2022.10.019

• Full Length Article • 上一篇下一篇

A generalized alpha function of Peng-Robison equation of state for non-polar, weakly polar and polar compounds

Wenying Zhao¹, Yuxiang Ge², Xuxue Zhang¹, Xiaoyan Sun², Shuguang Xiang²

1. Faculty of Chemistry and Chemical Engineering, Qilu Normal University, Jinan 250200, China;
2. Faculty of Chemical Engineering, Qingdao University of Science & Technology, Qingdao 266042, China

收稿日期:2022-03-21 修回日期:2022-10-07 出版日期:2023-06-28 发布日期:2023-08-31
通讯作者: Xiaoyan Sun,E-mail:sun_xyan@163.com;Shuguang Xiang,E-mail:xsg@qust.edu.cn
基金资助:
This work was supported by National Natural Science Foundation of China (22008129, 22108138).

A generalized alpha function of Peng-Robison equation of state for non-polar, weakly polar and polar compounds

Wenying Zhao¹, Yuxiang Ge², Xuxue Zhang¹, Xiaoyan Sun², Shuguang Xiang²

1. Faculty of Chemistry and Chemical Engineering, Qilu Normal University, Jinan 250200, China;
2. Faculty of Chemical Engineering, Qingdao University of Science & Technology, Qingdao 266042, China

Received:2022-03-21 Revised:2022-10-07 Online:2023-06-28 Published:2023-08-31
Contact: Xiaoyan Sun,E-mail:sun_xyan@163.com;Shuguang Xiang,E-mail:xsg@qust.edu.cn
Supported by:
This work was supported by National Natural Science Foundation of China (22008129, 22108138).

摘要/Abstract

摘要： A novel alpha function for Peng-Robinson equation of state was proposed and generalized with acentric factor and dipole moment for predicting thermodynamic properties of non-polar, weakly polar, and polar compounds. The parameters of new alpha function were fitted with vapor pressures of 70 compounds. Six different methods were investigated for the correlation of parameters of new alpha function and Heyen alpha function. The generalized new alpha function passed the consistency test. The results indicated that the predictive accuracy of generalized new alpha function and generalized Heyen alpha function was improved for the estimation of vapor pressure of 11 kinds of compounds, with the average relative deviations (ARDs) being 2.60% and 2.76%. The ARDs of the two generalized alpha functions were 2.04% and 2.09% for the enthalpy of vaporization. However, the generalized new alpha function and the other alpha functions had great deviations for the prediction of liquid volumes and isobaric heat capacities. The alpha function that was generalized with acentric factor and reduced dipole moment was more accurate than that was generalized with acentric factor, especially for the prediction of vapor pressure and enthalpy of vaporization of polar compounds.

关键词: PR EoS, Alpha function, Acentric factor, Reduced dipole moment

Abstract: A novel alpha function for Peng-Robinson equation of state was proposed and generalized with acentric factor and dipole moment for predicting thermodynamic properties of non-polar, weakly polar, and polar compounds. The parameters of new alpha function were fitted with vapor pressures of 70 compounds. Six different methods were investigated for the correlation of parameters of new alpha function and Heyen alpha function. The generalized new alpha function passed the consistency test. The results indicated that the predictive accuracy of generalized new alpha function and generalized Heyen alpha function was improved for the estimation of vapor pressure of 11 kinds of compounds, with the average relative deviations (ARDs) being 2.60% and 2.76%. The ARDs of the two generalized alpha functions were 2.04% and 2.09% for the enthalpy of vaporization. However, the generalized new alpha function and the other alpha functions had great deviations for the prediction of liquid volumes and isobaric heat capacities. The alpha function that was generalized with acentric factor and reduced dipole moment was more accurate than that was generalized with acentric factor, especially for the prediction of vapor pressure and enthalpy of vaporization of polar compounds.

Key words: PR EoS, Alpha function, Acentric factor, Reduced dipole moment

Wenying Zhao, Yuxiang Ge, Xuxue Zhang, Xiaoyan Sun, Shuguang Xiang. A generalized alpha function of Peng-Robison equation of state for non-polar, weakly polar and polar compounds[J]. 中国化学工程学报, 2023, 58(6): 234-243.

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A generalized alpha function of Peng-Robison equation of state for non-polar, weakly polar and polar compounds

A generalized alpha function of Peng-Robison equation of state for non-polar, weakly polar and polar compounds

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